*HEADER    TOXIN                                   15-MAR-06   2GCZ              
*TITLE     SOLUTION STRUCTURE OF ALPHA-CONOTOXIN OMIA                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN OMIA;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-17;                                             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN CONUS               
*SOURCE   4 OMARIA.                                                              
*KEYWDS    ALPHA-HELIX, BETA-TURN, TWO DISULFIDE BONDS, C-TERMINAL               
*KEYWDS   2 AMIDATION                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.-W.CHI, D.-H.KIM, B.M.OLIVERA, J.M.MCINTOSH, K.-H.HAN               
*REVDAT   2   08-AUG-06 2GCZ    1    REVISED CONSTRAINT FILE
*REVDAT   1   25-JUL-06 2GCZ    0 


 ASSI {    1}
   (( segid "    " and resid 11   and name HD21))
   (( segid "    " and resid 10   and name HB  ))
      4.500     2.500     1.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.26099E-03 ppm1      6.959 ppm2      0.948 CV     1
 OR {    1}
   (( segid "    " and resid 11   and name HD22))
   (( segid "    " and resid 10   and name HB  ))
 ASSI {    1}
   (( segid "    " and resid 11   and name HD21))
   (( segid "    " and resid 11   and name HB2 ))
      3.500     1.600     1.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.92923E-03 ppm1      6.956 ppm2      2.739 CV     1
 OR {    1}
   (( segid "    " and resid 11   and name HD21))
   (( segid "    " and resid 11   and name HB1 ))
 OR {    1}
   (( segid "    " and resid 11   and name HD22))
   (( segid "    " and resid 11   and name HB2 ))
 OR {    1}
   (( segid "    " and resid 11   and name HD22))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {    3}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 9    and name HB1 ))
      3.500     1.500     1.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.13833E-02 ppm1      7.033 ppm2      2.778 CV     1
 OR {    3}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 9    and name HB2 ))
 OR {    3}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 9    and name HB1 ))
 OR {    3}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {    6}
   (( segid "    " and resid 9    and name HD22))
   (( segid "    " and resid 3    and name HA  ))
      3.200     1.300     1.300 peak     6 spectrum    1 weight  0.10000E+01 volume  0.32374E-03 ppm1      7.031 ppm2      4.438 CV     1
 OR {    6}
   (( segid "    " and resid 9    and name HD21))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {    7}
   (( segid "    " and resid 12   and name HD21))
   (( segid "    " and resid 12   and name HB2 ))
      3.400     1.500     1.500 peak     7 spectrum    1 weight  0.10000E+01 volume  0.64038E-03 ppm1      7.282 ppm2      2.666 CV     1
 OR {    7}
   (( segid "    " and resid 12   and name HD21))
   (( segid "    " and resid 12   and name HB1 ))
 OR {    7}
   (( segid "    " and resid 12   and name HD22))
   (( segid "    " and resid 12   and name HB2 ))
 OR {    7}
   (( segid "    " and resid 12   and name HD22))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {   11}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 14   and name HB2 ))
      4.200     2.200     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.13757E-02 ppm1      7.310 ppm2      3.293 CV     1
 OR {   11}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {   14}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.500     1.600     1.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.64598E-03 ppm1      7.373 ppm2      3.837 CV     1
 OR {   14}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   16}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 15   and name HD11))
      3.700     1.700     1.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.71418E-03 ppm1      7.311 ppm2      0.911 CV     1
 OR {   16}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 15   and name HD13))
 OR {   16}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 15   and name HD12))
 ASSI {   17}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 15   and name HG23))
      4.500     2.500     1.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.42318E-03 ppm1      7.311 ppm2      1.169 CV     1
 OR {   17}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 15   and name HG21))
 OR {   17}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 15   and name HG22))
 ASSI {   18}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 15   and name HG12))
      5.300     3.400     0.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.16608E-03 ppm1      7.312 ppm2      1.567 CV     1
 OR {   18}
   (( segid "    " and resid 14   and name HE1 ))
   (( segid "    " and resid 15   and name HG11))
 ASSI {   20}
   (( segid "    " and resid 12   and name HD21))
   (( segid "    " and resid 8    and name HA  ))
      5.000     3.200     1.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.87442E-04 ppm1      7.282 ppm2      4.428 CV     1
 OR {   20}
   (( segid "    " and resid 12   and name HD22))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {   22}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HD13))
      3.500     1.500     1.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.45069E-03 ppm1      7.524 ppm2      0.912 CV     1
 OR {   22}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HD12))
 OR {   22}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HD11))
 ASSI {   23}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG23))
      3.400     1.500     1.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.19110E-02 ppm1      7.525 ppm2      1.178 CV     1
 OR {   23}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG21))
 OR {   23}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG22))
 ASSI {   24}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG12))
      3.500     1.500     1.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.51809E-03 ppm1      7.524 ppm2      1.570 CV     1
 OR {   24}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG11))
 ASSI {   25}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      3.000     1.100     1.100 peak    25 spectrum    1 weight  0.10000E+01 volume  0.12120E-02 ppm1      7.524 ppm2      1.922 CV     1
 ASSI {   26}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.300     3.500     0.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.30175E-03 ppm1      7.524 ppm2      2.772 CV     1
 OR {   26}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {   27}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.000     2.000     2.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.54796E-03 ppm1      7.524 ppm2      3.294 CV     1
 OR {   27}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {   28}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.400     1.400 peak    28 spectrum    1 weight  0.10000E+01 volume  0.61874E-03 ppm1      7.524 ppm2      4.203 CV     1
 ASSI {   29}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.700     1.700     1.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.55761E-03 ppm1      7.524 ppm2      4.601 CV     1
 ASSI {   30}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      5.600     3.900     0.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.10944E-03 ppm1      7.523 ppm2      4.458 CV     1
 ASSI {   31}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      2.900     1.100     1.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.60803E-03 ppm1      7.645 ppm2      0.963 CV     1
 ASSI {   34}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     2.500     3.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.36899E-02 ppm1      7.645 ppm2      2.738 CV     1
 OR {   34}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {   38}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.000     1.100     1.100 peak    38 spectrum    1 weight  0.10000E+01 volume  0.10082E-02 ppm1      7.699 ppm2      3.221 CV     1
 OR {   38}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {   39}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.800     1.000     1.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.12490E-02 ppm1      7.704 ppm2      3.348 CV     1
 OR {   39}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {   40}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.600     1.600     1.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.93080E-03 ppm1      7.658 ppm2      3.894 CV     1
 ASSI {   42}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HD2 ))
      4.600     2.600     1.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.80003E-03 ppm1      7.705 ppm2      3.887 CV     1
 OR {   42}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HD1 ))
 ASSI {   43}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     5.000     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.38809E-04 ppm1      7.646 ppm2      4.195 CV     1
 ASSI {   45}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.82238E-03 ppm1      7.704 ppm2      4.189 CV     1
 ASSI {   46}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.300     2.300     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.19439E-03 ppm1      7.642 ppm2      4.425 CV     1
 ASSI {   47}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.600     1.600     1.600 peak    47 spectrum    1 weight  0.10000E+01 volume  0.49167E-03 ppm1      7.696 ppm2      4.428 CV     1
 ASSI {   48}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      5.100     3.200     0.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.30560E-03 ppm1      7.792 ppm2      0.966 CV     1
 ASSI {   49}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.700     2.700     3.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.26679E-02 ppm1      7.794 ppm2      2.665 CV     1
 OR {   49}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {   55}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HD1 ))
      3.600     1.600     1.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.62032E-03 ppm1      7.782 ppm2      3.512 CV     1
 OR {   55}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HD2 ))
 ASSI {   57}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.200     2.200     1.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.31436E-03 ppm1      7.783 ppm2      3.894 CV     1
 ASSI {   59}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.900     1.900     1.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.25723E-03 ppm1      7.792 ppm2      4.515 CV     1
 ASSI {   60}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak    60 spectrum    1 weight  0.10000E+01 volume  0.59040E-03 ppm1      7.795 ppm2      4.725 CV     1
 ASSI {   61}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.100     1.100 peak    61 spectrum    1 weight  0.10000E+01 volume  0.19393E-02 ppm1      7.781 ppm2      5.206 CV     1
 ASSI {   62}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      2.200     0.600     0.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.52045E-02 ppm1      7.955 ppm2      0.969 CV     1
 ASSI {   63}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG11))
      3.800     1.800     1.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.36450E-02 ppm1      7.955 ppm2      2.139 CV     1
 OR {   63}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG13))
 OR {   63}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG12))
 ASSI {   64}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.100     1.200     1.200 peak    64 spectrum    1 weight  0.10000E+01 volume  0.14510E-02 ppm1      7.954 ppm2      2.783 CV     1
 OR {   64}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {   66}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.32474E-02 ppm1      7.955 ppm2      3.892 CV     1
 ASSI {   67}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.200     2.200     1.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.26115E-03 ppm1      7.954 ppm2      4.188 CV     1
 ASSI {   68}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      4.900     3.000     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.15132E-03 ppm1      7.958 ppm2      4.282 CV     1
 ASSI {   69}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.100     1.100 peak    69 spectrum    1 weight  0.10000E+01 volume  0.22183E-02 ppm1      7.955 ppm2      4.518 CV     1
 ASSI {   70}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      4.700     2.800     1.300 peak    70 spectrum    1 weight  0.10000E+01 volume  0.23743E-03 ppm1      8.047 ppm2      2.863 CV     1
 OR {   70}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
 ASSI {   72}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.31016E-02 ppm1      8.044 ppm2      3.837 CV     1
 OR {   72}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   73}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.23926E-02 ppm1      8.041 ppm2      4.339 CV     1
 ASSI {   74}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.400     1.400 peak    74 spectrum    1 weight  0.10000E+01 volume  0.47339E-03 ppm1      8.046 ppm2      4.434 CV     1
 ASSI {   75}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.400     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.13443E-03 ppm1      8.187 ppm2      2.776 CV     1
 OR {   75}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {   76}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     2.600     3.400 peak    76 spectrum    1 weight  0.10000E+01 volume  0.29982E-02 ppm1      8.177 ppm2      3.348 CV     1
 OR {   76}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {   77}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.400     2.400     1.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.76580E-03 ppm1      8.185 ppm2      3.842 CV     1
 OR {   77}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   78}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.51428E-03 ppm1      8.180 ppm2      4.337 CV     1
 ASSI {   79}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      4.300     2.300     1.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.29042E-03 ppm1      8.186 ppm2      4.436 CV     1
 ASSI {   80}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.15528E-02 ppm1      8.188 ppm2      5.198 CV     1
 ASSI {   82}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.800     1.800     1.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.70331E-03 ppm1      8.225 ppm2      2.765 CV     1
 OR {   82}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {   83}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      2.300     0.700     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.58965E-02 ppm1      8.220 ppm2      3.951 CV     1
 OR {   83}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA2 ))
 ASSI {   84}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.700     1.700     1.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.76686E-03 ppm1      8.220 ppm2      4.465 CV     1
 ASSI {   85}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HD13))
      3.800     1.800     1.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.12245E-02 ppm1      8.251 ppm2      0.910 CV     1
 OR {   85}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HD12))
 OR {   85}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HD11))
 ASSI {   86}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.21840E-02 ppm1      8.255 ppm2      1.923 CV     1
 ASSI {   87}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.300     0.700     0.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.46837E-02 ppm1      8.255 ppm2      2.767 CV     1
 OR {   87}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {   89}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.100     1.100 peak    89 spectrum    1 weight  0.10000E+01 volume  0.25765E-02 ppm1      8.256 ppm2      4.204 CV     1
 ASSI {   91}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.200     3.200     2.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.22904E-02 ppm1      8.476 ppm2      1.978 CV     1
 OR {   91}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {   92}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.500     2.500     1.500 peak    92 spectrum    1 weight  0.10000E+01 volume  0.19257E-03 ppm1      8.475 ppm2      2.159 CV     1
 OR {   92}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {   94}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.100     1.200     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.10862E-02 ppm1      8.476 ppm2      3.351 CV     1
 OR {   94}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {   95}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HD2 ))
      3.000     1.100     1.100 peak    95 spectrum    1 weight  0.10000E+01 volume  0.13048E-02 ppm1      8.476 ppm2      3.881 CV     1
 OR {   95}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HD1 ))
 ASSI {   96}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.30640E-02 ppm1      8.476 ppm2      4.189 CV     1
 ASSI {   97}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak    97 spectrum    1 weight  0.10000E+01 volume  0.16165E-02 ppm1      8.477 ppm2      4.283 CV     1
 ASSI {   98}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      5.000     3.100     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.39951E-03 ppm1      8.572 ppm2      0.967 CV     1
 ASSI {  100}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.300     2.300     3.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.56949E-02 ppm1      8.571 ppm2      2.783 CV     1
 OR {  100}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  102}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.000     1.100     1.100 peak   102 spectrum    1 weight  0.10000E+01 volume  0.13779E-02 ppm1      8.570 ppm2      3.219 CV     1
 OR {  102}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  103}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.200     2.200     1.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.54964E-03 ppm1      8.571 ppm2      3.350 CV     1
 OR {  103}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  105}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      5.600     3.900     0.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.69272E-04 ppm1      8.569 ppm2      4.195 CV     1
 ASSI {  106}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.600     1.600     1.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.60053E-03 ppm1      8.569 ppm2      4.281 CV     1
 ASSI {  107}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.36134E-02 ppm1      8.571 ppm2      4.426 CV     1
 ASSI {  108}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.27363E-02 ppm1      8.570 ppm2      4.519 CV     1
 ASSI {  109}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.400     2.400     3.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.55993E-02 ppm1      8.747 ppm2      2.862 CV     1
 OR {  109}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
 ASSI {  112}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.600     0.800     0.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.30620E-02 ppm1      8.747 ppm2      4.437 CV     1
 ASSI {  113}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      3.300     1.300     1.300 peak   113 spectrum    1 weight  0.10000E+01 volume  0.10687E-02 ppm1      8.781 ppm2      1.722 CV     1
 OR {  113}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
 ASSI {  114}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.500     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.55843E-02 ppm1      8.781 ppm2      3.283 CV     1
 OR {  114}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  116}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.21482E-02 ppm1      8.780 ppm2      4.465 CV     1
 ASSI {  117}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.000     1.100     1.100 peak   117 spectrum    1 weight  0.10000E+01 volume  0.16045E-02 ppm1      8.779 ppm2      4.600 CV     1
 ASSI {  118}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.700     1.700     1.700 peak   118 spectrum    1 weight  0.10000E+01 volume  0.64222E-03 ppm1      8.938 ppm2      2.843 CV     1
 OR {  118}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {  120}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA1 ))
      3.000     1.100     1.100 peak   120 spectrum    1 weight  0.10000E+01 volume  0.16266E-02 ppm1      8.936 ppm2      3.932 CV     1
 OR {  120}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA2 ))
 ASSI {  121}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      4.500     2.500     1.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.15703E-03 ppm1      8.929 ppm2      4.682 CV     1
 ASSI {  122}
   (( segid "    " and resid 11   and name HD21))
   (( segid "    " and resid 11   and name HN  ))
      1.400     0.200     0.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.10803E+00 ppm1      6.957 ppm2      7.639 CV     1
 OR {  122}
   (( segid "    " and resid 11   and name HD22))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  124}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.17683E-02 ppm1      7.519 ppm2      8.775 CV     1
 ASSI {  125}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.82942E-03 ppm1      8.038 ppm2      8.743 CV     1
 ASSI {  126}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.000     0.500     0.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.38229E-02 ppm1      8.255 ppm2      7.518 CV     1
 ASSI {  127}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.16381E-02 ppm1      8.478 ppm2      7.695 CV     1
 ASSI {  128}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.200     0.600     0.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.39207E-02 ppm1      8.571 ppm2      7.694 CV     1
 ASSI {  129}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.20682E-02 ppm1      8.571 ppm2      7.951 CV     1
 ASSI {  130}
   (( segid "    " and resid 15   and name HD13))
   (( segid "    " and resid 16   and name HB2 ))
      4.200     2.200     1.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.12387E-02 ppm1      0.909 ppm2      2.768 CV     1
 OR {  130}
   (( segid "    " and resid 15   and name HD12))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  130}
   (( segid "    " and resid 15   and name HD13))
   (( segid "    " and resid 16   and name HB1 ))
 OR {  130}
   (( segid "    " and resid 15   and name HD11))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  130}
   (( segid "    " and resid 15   and name HD12))
   (( segid "    " and resid 16   and name HB1 ))
 OR {  130}
   (( segid "    " and resid 15   and name HD11))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  132}
   (( segid "    " and resid 15   and name HG22))
   (( segid "    " and resid 15   and name HG12))
      2.000     2.000     4.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.20370E-01 ppm1      1.181 ppm2      1.566 CV     1
 OR {  132}
   (( segid "    " and resid 15   and name HG22))
   (( segid "    " and resid 15   and name HG11))
 OR {  132}
   (( segid "    " and resid 15   and name HG23))
   (( segid "    " and resid 15   and name HG12))
 OR {  132}
   (( segid "    " and resid 15   and name HG21))
   (( segid "    " and resid 15   and name HG12))
 OR {  132}
   (( segid "    " and resid 15   and name HG23))
   (( segid "    " and resid 15   and name HG11))
 OR {  132}
   (( segid "    " and resid 15   and name HG21))
   (( segid "    " and resid 15   and name HG11))
 ASSI {  133}
   (( segid "    " and resid 15   and name HG21))
   (( segid "    " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak   133 spectrum    1 weight  0.10000E+01 volume  0.27307E-02 ppm1      1.186 ppm2      1.915 CV     1
 OR {  133}
   (( segid "    " and resid 15   and name HG22))
   (( segid "    " and resid 15   and name HB  ))
 OR {  133}
   (( segid "    " and resid 15   and name HG23))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  138}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.900     2.900     3.100 peak   138 spectrum    1 weight  0.10000E+01 volume  0.33618E-02 ppm1      1.930 ppm2      2.769 CV     1
 OR {  138}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  139}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HD2 ))
      2.600     2.600     3.400 peak   139 spectrum    1 weight  0.10000E+01 volume  0.95891E-02 ppm1      2.151 ppm2      3.889 CV     1
 OR {  139}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HD1 ))
 OR {  139}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HD2 ))
 OR {  139}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HD1 ))
 ASSI {  142}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.300     3.300     2.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.97424E-03 ppm1      2.793 ppm2      4.279 CV     1
 OR {  142}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  150}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB  ))
      3.200     1.300     1.300 peak   150 spectrum    1 weight  0.10000E+01 volume  0.10284E-02 ppm1      4.192 ppm2      0.973 CV     1
 ASSI {  155}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.300     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.88186E-02 ppm1      4.343 ppm2      3.838 CV     1
 OR {  155}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  157}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      6.000     4.600     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.24583E-03 ppm1      5.220 ppm2      2.018 CV     1
 OR {  157}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  158}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HB1 ))
      6.000     5.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.19610E-03 ppm1      5.188 ppm2      2.152 CV     1
 OR {  158}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  159}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.600     0.800     0.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.26548E-02 ppm1      5.213 ppm2      2.661 CV     1
 OR {  159}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  161}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.100     0.500     0.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.83721E-02 ppm1      5.186 ppm2      3.351 CV     1
 OR {  161}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  167}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HD1 ))
      3.300     1.400     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.24395E-02 ppm1      2.014 ppm2      3.513 CV     1
 OR {  167}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HD2 ))
 OR {  167}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HD2 ))
 OR {  167}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HD1 ))
 ASSI {  170}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HD13))
      2.700     0.900     0.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.34784E-02 ppm1      1.923 ppm2      0.912 CV     1
 OR {  170}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HD12))
 OR {  170}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HD11))
 ASSI {  173}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HB2 ))
      1.700     1.700     4.300 peak   173 spectrum    1 weight  0.10000E+01 volume  0.34996E-01 ppm1      1.734 ppm2      2.008 CV     1
 OR {  173}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  173}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  173}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  181}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HB1 ))
      2.900     1.100     1.100 peak   181 spectrum    1 weight  0.10000E+01 volume  0.12358E-02 ppm1      1.973 ppm2      2.156 CV     1
 OR {  181}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  181}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HB1 ))
 OR {  181}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  186}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HD2 ))
      3.100     1.200     1.200 peak   186 spectrum    1 weight  0.10000E+01 volume  0.74934E-03 ppm1      1.723 ppm2      3.507 CV     1
 OR {  186}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HD1 ))
 OR {  186}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HD2 ))
 OR {  186}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HD1 ))
 ASSI {  190}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   190 spectrum    1 weight  0.10000E+01 volume  0.25553E-02 ppm1      0.955 ppm2      3.892 CV     1
 ASSI {  193}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   193 spectrum    1 weight  0.10000E+01 volume  0.14622E-02 ppm1      2.001 ppm2      3.881 CV     1
 OR {  193}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  195}
   (( segid "    " and resid 15   and name HD13))
   (( segid "    " and resid 15   and name HA  ))
      3.100     3.100     2.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.52902E-02 ppm1      0.914 ppm2      4.205 CV     1
 OR {  195}
   (( segid "    " and resid 15   and name HD12))
   (( segid "    " and resid 15   and name HA  ))
 OR {  195}
   (( segid "    " and resid 15   and name HD11))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  198}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.48065E-02 ppm1      1.930 ppm2      4.203 CV     1
 ASSI {  211}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.500     0.800     0.800 peak   211 spectrum    1 weight  0.10000E+01 volume  0.50424E-02 ppm1      4.429 ppm2      3.221 CV     1
 OR {  211}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  214}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.300     0.700     0.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.58723E-02 ppm1      4.520 ppm2      2.781 CV     1
 OR {  214}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  226}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.14726E-02 ppm1      8.043 ppm2      8.179 CV     1
 ASSI {  230}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.300     1.300 peak   230 spectrum    1 weight  0.10000E+01 volume  0.55077E-03 ppm1      7.955 ppm2      7.661 CV     1
 ASSI {  231}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HE1 ))
      5.800     4.300     0.200 peak   231 spectrum    1 weight  0.10000E+01 volume  0.33339E-03 ppm1      8.179 ppm2      7.367 CV     1
 ASSI {  237}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      5.600     3.900     0.400 peak   237 spectrum    1 weight  0.10000E+01 volume  0.35273E-04 ppm1      7.642 ppm2      4.721 CV     1
 ASSI {    1}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HB2 ))
      3.400     1.400     1.400 peak     1 spectrum    1 weight  0.10000E+01 volume  0.11736E-02 ppm1      7.385 ppm2      3.341 CV     1
 OR {    1}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {    2}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 2    and name HA  ))
      3.400     1.400     1.400 peak     2 spectrum    1 weight  0.10000E+01 volume  0.31195E-03 ppm1      7.384 ppm2      4.676 CV     1
 ASSI {    9}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.200     0.600     0.600 peak     9 spectrum    1 weight  0.10000E+01 volume  0.19084E-02 ppm1      3.513 ppm2      5.203 CV     1
 OR {    9}
   (( segid "    " and resid 13   and name HD1 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {   11}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.12007E-02 ppm1      2.759 ppm2      5.205 CV     1
 OR {   11}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {   20}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak    20 spectrum    1 weight  0.10000E+01 volume  0.13934E-02 ppm1      3.295 ppm2      4.584 CV     1
 OR {   20}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {   23}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      2.600     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.14679E-02 ppm1      2.859 ppm2      4.691 CV     1
 OR {   23}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI {   24}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.61173E-03 ppm1      2.755 ppm2      4.716 CV     1
 OR {   24}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {   25}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.500     1.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.20138E-02 ppm1      3.352 ppm2      4.416 CV     1
 OR {   25}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {   32}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      4.200     2.200     1.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.34198E-03 ppm1      2.852 ppm2      4.406 CV     1
 OR {   32}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {   69}
   (( segid "    " and resid 10   and name HG11))
   (( segid "    " and resid 13   and name HB1 ))
      2.000     2.000     4.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.19042E-01 ppm1      2.155 ppm2      1.998 CV     1
 OR {   69}
   (( segid "    " and resid 10   and name HG13))
   (( segid "    " and resid 13   and name HB1 ))
 OR {   69}
   (( segid "    " and resid 10   and name HG12))
   (( segid "    " and resid 13   and name HB1 ))
 OR {   69}
   (( segid "    " and resid 10   and name HG23))
   (( segid "    " and resid 13   and name HB1 ))
 OR {   69}
   (( segid "    " and resid 10   and name HG22))
   (( segid "    " and resid 13   and name HB1 ))
 OR {   69}
   (( segid "    " and resid 10   and name HG21))
   (( segid "    " and resid 13   and name HB1 ))
 OR {   69}
   (( segid "    " and resid 10   and name HG11))
   (( segid "    " and resid 13   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 10   and name HG13))
   (( segid "    " and resid 13   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 10   and name HG12))
   (( segid "    " and resid 13   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 10   and name HG23))
   (( segid "    " and resid 13   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 10   and name HG22))
   (( segid "    " and resid 13   and name HB2 ))
 OR {   69}
   (( segid "    " and resid 10   and name HG21))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {   71}
   (( segid "    " and resid 15   and name HG12))
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.24931E-02 ppm1      1.574 ppm2      1.912 CV     1
 OR {   71}
   (( segid "    " and resid 15   and name HG11))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {   77}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HG12))
      2.200     0.600     0.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.24623E-02 ppm1      0.958 ppm2      2.127 CV     1
 OR {   77}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HG21))
 OR {   77}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HG22))
 OR {   77}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HG11))
 OR {   77}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HG23))
 OR {   77}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HG13))
 ASSI {  101}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG23))
      2.900     1.000     1.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.93704E-03 ppm1      4.200 ppm2      1.159 CV     1
 OR {  101}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG21))
 OR {  101}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG22))
 ASSI {  109}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG1 ))
      2.900     1.000     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.27980E-02 ppm1      4.279 ppm2      1.973 CV     1
 OR {  109}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  113}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 6    and name HG1 ))
      2.200     0.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.17904E-02 ppm1      3.894 ppm2      1.986 CV     1
 OR {  113}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG2 ))
 OR {  113}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 6    and name HG2 ))
 OR {  113}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {  114}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG23))
      2.100     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.64184E-02 ppm1      3.890 ppm2      2.127 CV     1
 OR {  114}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG13))
 OR {  114}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG11))
 OR {  114}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG22))
 OR {  114}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG21))
 OR {  114}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG12))
 ASSI {  118}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.500     0.800     0.800 peak   118 spectrum    1 weight  0.10000E+01 volume  0.14096E-02 ppm1      4.509 ppm2      2.759 CV     1
 OR {  118}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  125}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     2.500     3.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.27064E-02 ppm1      5.225 ppm2      2.744 CV     1
 OR {  125}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  129}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HD1 ))
      1.800     0.400     0.400 peak   129 spectrum    1 weight  0.10000E+01 volume  0.46832E-02 ppm1      5.190 ppm2      3.877 CV     1
 OR {  129}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
 assign (resid   2 and name HN  )(resid   1 and name HA  )  2.6 0.8 0.9 
 assign (resid   2 and name HN  )(resid   2 and name HA  )  3.4 1.6 1.6 
 assign (resid   2 and name HN  )(resid   2 and name HB# )  2.9 1.1 1.1    
 assign (resid   2 and name HN  )(resid   2 and name HB# )  3.7 1.9 1.9    
 assign (resid   3 and name HN  )(resid   1 and name HA  )  3.4 1.6 1.6 
 assign (resid   3 and name HN  )(resid   2 and name HB# )  3.9 2.1 2.1    
 assign (resid   3 and name HN  )(resid   3 and name HA  )  2.6 0.8 0.9 
 assign (resid   3 and name HN  )(resid   3 and name HB# )  2.5 0.7 0.6    
 assign (resid   4 and name HA  )(resid   4 and name HB# )  2.6 0.8 0.9    
 assign (resid   4 and name HN  )(resid   3 and name HA  )  2.6 0.8 0.9 
 assign (resid   4 and name HN  )(resid   3 and name HB# )  3.9 2.1 2.1    
 assign (resid   4 and name HN  )(resid   3 and name HB# )  3.9 2.1 2.1    
 assign (resid   4 and name HN  )(resid   3 and name HN  )  3.4 1.6 1.6 
 assign (resid   4 and name HN  )(resid   4 and name HA  )  2.6 0.8 0.9 
 assign (resid   4 and name HN  )(resid   4 and name HB# )  2.9 1.1 1.1    
 assign (resid   5 and name HA  )(resid   5 and name HB# )  2.6 0.8 0.9    
 assign (resid   5 and name HA  )(resid   6 and name HD# )  2.1 0.3 0.4 
 assign (resid   5 and name HA  )(resid   6 and name HD# )  2.1 0.3 0.4 
 assign (resid   5 and name HE1 )(resid   2 and name HA  )  2.6 0.8 0.9 
 assign (resid   5 and name HE1 )(resid   4 and name HA  )  3.4 1.6 1.6 
 assign (resid   5 and name HE1 )(resid   5 and name HA  )  3.4 1.6 1.6 
 assign (resid   5 and name HE1 )(resid   5 and name HB# )  3.1 1.3 1.4    
 assign (resid   5 and name HN  )(resid   3 and name HA  )  3.4 1.6 1.6 
 assign (resid   5 and name HN  )(resid   4 and name HA  )  2.6 0.8 0.9 
 assign (resid   5 and name HN  )(resid   4 and name HB# )  3.9 2.1 2.1    
 assign (resid   5 and name HN  )(resid   5 and name HA  )  2.6 0.8 0.9 
 assign (resid   5 and name HN  )(resid   5 and name HB# )  2.5 0.7 0.6    
 assign (resid   5 and name HN  )(resid   9 and name HB# )  3.4 1.6 1.6
 assign (resid   6 and name HA  )(resid   6 and name HB# )  2.6 0.8 0.9    
 assign (resid   6 and name HA  )(resid   9 and name HB# )  3.1 1.3 1.4    
 assign (resid   6 and name HA  )(resid   9 and name HB# )  3.1 1.3 1.4    
 assign (resid   6 and name HB# )(resid   6 and name HA  )  2.6 0.8 0.9    
 assign (resid   6 and name HB# )(resid   6 and name HD# )  2.6 0.8 0.9    
 assign (resid   6 and name HD1 )(resid   6 and name HD2 )  2.1 0.3 0.4 
 assign (resid   7 and name HA  )(resid  10 and name HB )  2.6 0.8 0.9
 assign (resid   7 and name HN  )(resid   5 and name HB# )  3.1 1.3 1.4    
 assign (resid   7 and name HN  )(resid   6 and name HA  )  2.6 0.8 0.9 
 assign (resid   7 and name HN  )(resid   6 and name HB# )  3.9 2.1 2.1    
 assign (resid   7 and name HN  )(resid   6 and name HB# )  3.9 2.1 2.1    
 assign (resid   7 and name HN  )(resid   6 and name HD# )  2.6 0.8 0.9 
 assign (resid   7 and name HN  )(resid   6 and name HG# )  3.1 1.3 1.4    
 assign (resid   7 and name HN  )(resid   7 and name HA  )  2.6 0.8 0.9 
 assign (resid   7 and name HN  )(resid   7 and name HB# )  2.1 0.3 0.4 
 assign (resid   7 and name HN  )(resid   8 and name HN  )  2.6 0.8 0.9 
 assign (resid   8 and name HA  )(resid   9 and name HD2# )  3.4 1.6 1.6 
 assign (resid   8 and name HN  )(resid   5 and name HB# )  3.1 1.3 1.4    
 assign (resid   8 and name HN  )(resid   7 and name HA  )  3.4 1.6 1.6 
 assign (resid   8 and name HN  )(resid   7 and name HB# )  2.6 0.8 0.9 
 assign (resid   8 and name HN  )(resid   8 and name HA  )  2.6 0.8 0.9 
 assign (resid   8 and name HN  )(resid   8 and name HB# )  2.9 1.1 1.1    
 assign (resid   8 and name HN  )(resid   8 and name HB# )  3.7 1.9 1.9    
 assign (resid   9 and name HB# )(resid   6 and name HA  )  3.1 1.3 1.4    
 assign (resid   9 and name HB# )(resid   6 and name HA  )  3.1 1.3 1.4    
 assign (resid   9 and name HD21)(resid   9 and name HD22 )  2.1 0.3 0.4 
 assign (resid   9 and name HD2#)(resid   3 and name HB# )  2.6 0.8 0.9  
 assign (resid   9 and name HD2#)(resid   3 and name HA  )  3.4 1.6 1.6  
 assign (resid   9 and name HD2#)(resid   9 and name HB# )  3.1 1.3 1.4    
 assign (resid   9 and name HD2#)(resid   9 and name HB# )  3.1 1.3 1.4    
 assign (resid   9 and name HD2#)(resid   9 and name HB# )  3.9 2.1 2.1    
 assign (resid   9 and name HD2#)(resid   9 and name HB# )  3.9 2.1 2.1    
 assign (resid   9 and name HN  )(resid   5 and name HB# )  3.9 2.1 2.1    
 assign (resid   9 and name HN  )(resid   6 and name HA  )  3.4 1.6 1.6 
 assign (resid   9 and name HN  )(resid   7 and name HA  )  3.4 1.6 1.6 
 assign (resid   9 and name HN  )(resid   7 and name HB# )  3.4 1.6 1.6 
 assign (resid   9 and name HN  )(resid   8 and name HA  )  2.6 0.8 0.9 
 assign (resid   9 and name HN  )(resid   8 and name HB# )  3.1 1.3 1.4    
 assign (resid   9 and name HN  )(resid   8 and name HB# )  3.1 1.3 1.4    
 assign (resid   9 and name HN  )(resid   8 and name HN  )  2.6 0.8 0.9 
 assign (resid   9 and name HN  )(resid   9 and name HA  )  2.6 0.8 0.9 
 assign (resid   9 and name HN  )(resid   9 and name HB# )  2.5 0.7 0.6    
 assign (resid   9 and name HN  )(resid   9 and name HB# )  2.5 0.7 0.6    
 assign (resid   9 and name HN  )(resid  10 and name HB  )  3.4 1.6 1.6 
 assign (resid   9 and name HN  )(resid  10 and name HN  )  2.6 0.8 0.9 
 assign (resid  10 and name HN  )(resid   6 and name HA  )  3.4 1.6 1.6 
 assign (resid  10 and name HN  )(resid   7 and name HA  )  3.4 1.6 1.6 
 assign (resid  10 and name HN  )(resid   9 and name HA  )  2.6 0.8 0.9 
 assign (resid  10 and name HN  )(resid   9 and name HB# )  2.6 0.8 0.9    
 assign (resid  10 and name HN  )(resid   9 and name HB# )  3.1 1.3 1.4    
 assign (resid  10 and name HN  )(resid  10 and name HA  )  2.6 0.8 0.9  
 assign (resid  10 and name HN  )(resid  10 and name HB  )  2.1 0.3 0.4 
 assign (resid  10 and name HN  )(resid  10 and name HG* )  2.1 0.3 0.4 
 assign (resid  11 and name HD2#)(resid  10 and name HB  )  3.4 1.6 1.6 
 assign (resid  11 and name HD2#)(resid  11 and name HB# )  3.1 1.3 1.4    
 assign (resid  11 and name HD2#)(resid  11 and name HB# )  3.9 2.1 2.1    
 assign (resid  11 and name HD2#)(resid  11 and name HN  )  2.1 0.3 0.4 
 assign (resid  11 and name HN  )(resid   7 and name HA  )  3.4 1.6 1.6 
 assign (resid  11 and name HN  )(resid   7 and name HB# )  3.4 1.6 1.6 
 assign (resid  11 and name HN  )(resid   8 and name HA  )  3.4 1.6 1.6 
 assign (resid  11 and name HN  )(resid  10 and name HA  )  3.4 1.6 1.6 
 assign (resid  11 and name HN  )(resid  10 and name HB  )  3.4 1.6 1.6 
 assign (resid  11 and name HN  )(resid  11 and name HB# )  2.9 1.1 1.1    
 assign (resid  11 and name HN  )(resid  11 and name HB# )  2.9 1.1 1.1    
 assign (resid  12 and name HA  )(resid  12 and name HB# )  3.1 1.3 1.4    
 assign (resid  12 and name HA  )(resid  13 and name HD# )  2.1 0.3 0.4 
 assign (resid  12 and name HA  )(resid  13 and name HD# )  2.6 0.8 0.9 
 assign (resid  12 and name HD2#)(resid   8 and name HA  )  3.4 1.6 1.6  
 assign (resid  12 and name HD2#)(resid  11 and name HB# )  3.9 2.1 2.1    
 assign (resid  12 and name HD2#)(resid  12 and name HB# )  3.9 2.1 2.1    
 assign (resid  12 and name HN  )(resid   9 and name HA  )  3.4 1.6 1.6 
 assign (resid  12 and name HN  )(resid  10 and name HA  )  3.4 1.6 1.6 
 assign (resid  12 and name HN  )(resid  10 and name HB# )  3.4 1.6 1.6 
 assign (resid  12 and name HN  )(resid  11 and name HA  )  2.6 0.8 0.9 
 assign (resid  12 and name HN  )(resid  11 and name HB# )  3.9 2.1 2.1    
 assign (resid  12 and name HN  )(resid  12 and name HA  )  2.6 0.8 0.9 
 assign (resid  12 and name HN  )(resid  12 and name HB# )  2.9 1.1 1.1    
 assign (resid  12 and name HN  )(resid  12 and name HB# )  2.9 1.1 1.1    
 assign (resid  12 and name HN  )(resid  13 and name HD# )  2.6 0.8 0.9 
 assign (resid  13 and name HD# )(resid  13 and name HD# )  3.1 1.3 1.4     
 assign (resid  13 and name HD# )(resid  13 and name HD# )  3.1 1.3 1.4     
 assign (resid  13 and name HG# )(resid  13 and name HD# )  3.1 1.3 1.4    
 assign (resid  14 and name HE1 )(resid  13 and name HG# )  3.9 2.1 2.1    
 assign (resid  14 and name HE1 )(resid  14 and name HB# )  3.1 1.3 1.4    
 assign (resid  14 and name HE1 )(resid  15 and name HD1# )  2.6 0.8 0.9 
 assign (resid  14 and name HE1 )(resid  15 and name HG1# )  3.4 1.6 1.6 
 assign (resid  14 and name HE1 )(resid  15 and name HG2# )  3.4 1.6 1.6 
 assign (resid  14 and name HN  )(resid  13 and name HA  )  2.6 0.8 0.9 
 assign (resid  14 and name HN  )(resid  13 and name HD# )  3.4 1.6 1.6 
 assign (resid  14 and name HN  )(resid  13 and name HG# )  2.6 0.8 0.9 
 assign (resid  14 and name HN  )(resid  14 and name HA  )  2.6 0.8 0.9 
 assign (resid  14 and name HN  )(resid  14 and name HB# )  2.9 1.1 1.1    
 assign (resid  15 and name HG2#)(resid  15 and name HA  )  2.6 0.8 0.9 
 assign (resid  15 and name HG2#)(resid  15 and name HB# )  2.6 0.8 0.9 
 assign (resid  15 and name HG2#)(resid  15 and name HG1# )  2.1 0.3 0.4 
 assign (resid  15 and name HG2#)(resid  16 and name HB# )  3.1 1.3 1.4    
 assign (resid  15 and name HN  )(resid  12 and name HB# )  3.9 2.1 2.1    
 assign (resid  15 and name HN  )(resid  13 and name HA  )  3.4 1.6 1.6 
 assign (resid  15 and name HN  )(resid  14 and name HA  )  2.6 0.8 0.9 
 assign (resid  15 and name HN  )(resid  14 and name HB# )  3.1 1.3 1.4    
 assign (resid  15 and name HN  )(resid  14 and name HB# )  3.9 2.1 2.1    
 assign (resid  15 and name HN  )(resid  14 and name HN  )  2.6 0.8 0.9 
 assign (resid  15 and name HN  )(resid  15 and name HA  )  2.6 0.8 0.9 
 assign (resid  15 and name HN  )(resid  15 and name HB# )  2.6 0.8 0.9 
 assign (resid  15 and name HN  )(resid  15 and name HD1# )  2.6 0.8 0.9 
 assign (resid  15 and name HN  )(resid  15 and name HG1# )  2.6 0.8 0.9 
 assign (resid  15 and name HN  )(resid  15 and name HG2# )  2.6 0.8 0.9 
 assign (resid  16 and name HN  )(resid  15 and name HA  )  2.6 0.8 0.9 
 assign (resid  16 and name HN  )(resid  15 and name HB  )  2.6 0.8 0.9 
 assign (resid  16 and name HN  )(resid  15 and name HD1# )  2.6 0.8 0.9 
 assign (resid  16 and name HN  )(resid  15 and name HN  )  2.6 0.8 0.9 
 assign (resid  16 and name HN  )(resid  16 and name HB# )  2.9 1.1 1.1    
 assign (resid  16 and name HN  )(resid  16 and name HB# )  2.9 1.1 1.1    
 assign (resid  17 and name HN  )(resid  13 and name HA  )  2.6 0.8 0.9
 assign (resid  17 and name HN  )(resid  15 and name HD1# )  3.4 1.6 1.6 
 assign (resid  17 and name HN  )(resid  16 and name HA  )  2.6 0.8 0.9 
 assign (resid  17 and name HN  )(resid  16 and name HB# )  3.9 2.1 2.1    
 assign (resid  17 and name HN  )(resid  17 and name HA  )  2.1 0.3 0.4

 assign (resid 2 and name SG) (resid 8 and name SG) 2.02 0.1 0.1
 assign (resid 3 and name SG) (resid 16 and name SG) 2.02 0.1 0.1
 assign (resid 2 and name CB#) (resid 8 and name SG) 2.99 0.5 0.5
 assign (resid 3 and name CB#) (resid 16 and name SG) 2.99 0.5 0.5
 assign (resid 2 and name SG) (resid 8 and name CB#) 2.99 0.5 0.5
 assign (resid 3 and name SG) (resid 16 and name CB#) 2.99 0.5 0.5 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1   7.488   8.134   4.297
    2   2H    GLY   1          2H        GLY   1   7.207   8.451   5.937
    3   3H    GLY   1          3H        GLY   1   6.800   9.611   4.770
    4   1HA   GLY   1          1HA       GLY   1   4.855   8.393   5.638
    5   2HA   GLY   1          2HA       GLY   1   5.064   8.259   3.896
    6    H    CYS   2           H        CYS   2   3.599   6.415   5.525
    7    HA   CYS   2           HA       CYS   2   5.361   4.059   5.556
    8   1HB   CYS   2          1HB       CYS   2   3.981   4.698   7.610
    9   2HB   CYS   2          2HB       CYS   2   2.559   4.222   6.686
   10    H    CYS   3           H        CYS   3   2.468   5.402   4.118
   11    HA   CYS   3           HA       CYS   3   1.480   3.072   2.896
   12   1HB   CYS   3          1HB       CYS   3   1.135   5.989   2.230
   13   2HB   CYS   3          2HB       CYS   3   0.305   4.707   1.349
   14    H    SER   4           H        SER   4   4.373   4.510   2.284
   15    HA   SER   4           HA       SER   4   4.364   3.844  -0.554
   16   1HB   SER   4          1HB       SER   4   6.758   4.858  -0.325
   17   2HB   SER   4          2HB       SER   4   5.347   5.918  -0.349
   18    HG   SER   4           HG       SER   4   5.565   6.313   1.756
   19    H    HIS   5           H        HIS   5   4.352   1.845   1.677
   20    HA   HIS   5           HA       HIS   5   6.721   0.360   0.796
   21   1HB   HIS   5          1HB       HIS   5   5.783   0.449   3.673
   22   2HB   HIS   5          2HB       HIS   5   7.142  -0.483   3.048
   23    HD1  HIS   5           HD1      HIS   5   6.044   3.122   3.164
   24    HD2  HIS   5           HD2      HIS   5   9.518   0.856   3.263
   25    HE1  HIS   5           HE1      HIS   5   7.898   4.771   3.189
   26    HE2  HIS   5           HE2      HIS   5  10.021   3.405   3.150
   27    HA   PRO   6           HA       PRO   6   3.655  -2.659  -0.261
   28   1HB   PRO   6          1HB       PRO   6   5.374  -4.860  -0.088
   29   2HB   PRO   6          2HB       PRO   6   5.090  -3.875  -1.526
   30   1HG   PRO   6          1HG       PRO   6   7.313  -3.754   0.456
   31   2HG   PRO   6          2HG       PRO   6   7.347  -3.474  -1.294
   32   1HD   PRO   6          1HD       PRO   6   7.449  -1.441   0.449
   33   2HD   PRO   6          2HD       PRO   6   6.567  -1.297  -1.090
   34    H    ALA   7           H        ALA   7   5.811  -3.276   2.484
   35    HA   ALA   7           HA       ALA   7   4.156  -5.297   3.631
   36   1HB   ALA   7          1HB       ALA   7   6.404  -5.382   4.273
   37   2HB   ALA   7          2HB       ALA   7   5.558  -4.805   5.708
   38   3HB   ALA   7          3HB       ALA   7   6.445  -3.670   4.690
   39    H    CYS   8           H        CYS   8   4.432  -1.818   4.046
   40    HA   CYS   8           HA       CYS   8   2.666  -1.673   6.284
   41   1HB   CYS   8          1HB       CYS   8   4.380   0.056   5.759
   42   2HB   CYS   8          2HB       CYS   8   3.437   0.516   4.345
   43    H    ASN   9           H        ASN   9   2.241  -2.005   2.918
   44    HA   ASN   9           HA       ASN   9  -0.466  -0.963   2.884
   45   1HB   ASN   9          1HB       ASN   9   1.247  -2.366   0.836
   46   2HB   ASN   9          2HB       ASN   9  -0.456  -2.030   0.550
   47   1HD2  ASN   9          1HD2      ASN   9   0.491   0.411   2.450
   48   2HD2  ASN   9          2HD2      ASN   9   0.973   1.567   1.247
   49    H    VAL  10           H        VAL  10   1.024  -3.829   3.853
   50    HA   VAL  10           HA       VAL  10  -1.143  -5.609   3.176
   51    HB   VAL  10           HB       VAL  10   1.140  -6.027   5.122
   52   1HG1  VAL  10          1HG1      VAL  10  -0.707  -7.549   5.545
   53   2HG1  VAL  10          2HG1      VAL  10   0.647  -8.420   4.824
   54   3HG1  VAL  10          3HG1      VAL  10  -0.751  -7.996   3.840
   55   1HG2  VAL  10          1HG2      VAL  10   1.333  -7.532   2.686
   56   2HG2  VAL  10          2HG2      VAL  10   2.484  -6.397   3.394
   57   3HG2  VAL  10          3HG2      VAL  10   1.207  -5.809   2.328
   58    H    ASN  11           H        ASN  11   0.136  -4.225   6.215
   59    HA   ASN  11           HA       ASN  11  -2.115  -5.120   7.737
   60   1HB   ASN  11          1HB       ASN  11  -1.145  -3.696   9.544
   61   2HB   ASN  11          2HB       ASN  11  -0.004  -4.845   8.861
   62   1HD2  ASN  11          1HD2      ASN  11   1.782  -4.118   7.833
   63   2HD2  ASN  11          2HD2      ASN  11   2.226  -2.450   7.753
   64    H    ASN  12           H        ASN  12  -1.369  -2.294   5.909
   65    HA   ASN  12           HA       ASN  12  -3.983  -1.152   6.635
   66   1HB   ASN  12          1HB       ASN  12  -1.415   0.265   5.970
   67   2HB   ASN  12          2HB       ASN  12  -2.986   1.055   5.888
   68   1HD2  ASN  12          1HD2      ASN  12  -0.393   0.883   7.728
   69   2HD2  ASN  12          2HD2      ASN  12  -1.089   1.065   9.300
   70    HA   PRO  13           HA       PRO  13  -3.782  -2.550   2.264
   71   1HB   PRO  13          1HB       PRO  13  -6.496  -3.546   2.648
   72   2HB   PRO  13          2HB       PRO  13  -5.028  -4.430   2.230
   73   1HG   PRO  13          1HG       PRO  13  -6.243  -4.665   4.638
   74   2HG   PRO  13          2HG       PRO  13  -4.491  -4.843   4.422
   75   1HD   PRO  13          1HD       PRO  13  -6.050  -2.506   5.452
   76   2HD   PRO  13          2HD       PRO  13  -4.501  -3.167   6.015
   77    H    HIS  14           H        HIS  14  -7.012  -1.575   3.410
   78    HA   HIS  14           HA       HIS  14  -7.379  -0.243   0.853
   79   1HB   HIS  14          1HB       HIS  14  -9.789  -0.104   1.599
   80   2HB   HIS  14          2HB       HIS  14  -9.144  -1.725   1.387
   81    HD1  HIS  14           HD1      HIS  14  -9.816   0.742   4.219
   82    HD2  HIS  14           HD2      HIS  14  -9.581  -3.356   3.503
   83    HE1  HIS  14           HE1      HIS  14 -10.454  -0.371   6.388
   84    HE2  HIS  14           HE2      HIS  14 -10.484  -2.844   5.876
   85    H    ILE  15           H        ILE  15  -6.417   0.658   3.875
   86    HA   ILE  15           HA       ILE  15  -7.543   3.347   3.663
   87    HB   ILE  15           HB       ILE  15  -6.332   3.658   5.879
   88   1HG1  ILE  15          1HG1      ILE  15  -5.021   1.443   5.521
   89   2HG1  ILE  15          2HG1      ILE  15  -5.575   1.865   7.134
   90   1HG2  ILE  15          1HG2      ILE  15  -8.231   3.104   7.037
   91   2HG2  ILE  15          2HG2      ILE  15  -8.462   1.603   6.143
   92   3HG2  ILE  15          3HG2      ILE  15  -8.833   3.150   5.380
   93   1HD1  ILE  15          1HD1      ILE  15  -7.608   0.349   5.847
   94   2HD1  ILE  15          2HD1      ILE  15  -6.655  -0.052   7.279
   95   3HD1  ILE  15          3HD1      ILE  15  -6.068  -0.494   5.676
   96    H    CYS  16           H        CYS  16  -4.607   1.530   3.510
   97    HA   CYS  16           HA       CYS  16  -3.099   3.998   3.015
   98   1HB   CYS  16          1HB       CYS  16  -2.684   3.004   5.199
   99   2HB   CYS  16          2HB       CYS  16  -2.270   1.467   4.442
  100    H    GLY  17           H        GLY  17  -3.920   0.933   1.739
  101   1HA   GLY  17          1HA       GLY  17  -1.718   1.163  -0.222
  102   2HA   GLY  17          2HA       GLY  17  -2.473  -0.364   0.224
  103   1HN   NH2  18          1HN       NH2  18  -5.346   0.168  -0.314
  104   2HN   NH2  18          2HN       NH2  18  -5.297   1.865  -0.621
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1   1.190   5.039   9.472
    2   2H    GLY   1          2H        GLY   1   1.240   3.694   8.444
    3   3H    GLY   1          3H        GLY   1  -0.104   4.725   8.425
    4   1HA   GLY   1          1HA       GLY   1   0.817   6.065   6.943
    5   2HA   GLY   1          2HA       GLY   1   2.253   6.215   7.950
    6    H    CYS   2           H        CYS   2   3.815   6.044   6.432
    7    HA   CYS   2           HA       CYS   2   5.060   5.224   4.688
    8   1HB   CYS   2          1HB       CYS   2   5.813   2.826   5.174
    9   2HB   CYS   2          2HB       CYS   2   6.107   4.032   6.417
   10    H    CYS   3           H        CYS   3   2.687   5.446   3.575
   11    HA   CYS   3           HA       CYS   3   1.629   2.967   2.625
   12   1HB   CYS   3          1HB       CYS   3   1.091   5.827   1.862
   13   2HB   CYS   3          2HB       CYS   3   0.263   4.461   1.113
   14    H    SER   4           H        SER   4   4.425   4.433   1.820
   15    HA   SER   4           HA       SER   4   4.320   3.538  -0.962
   16   1HB   SER   4          1HB       SER   4   6.720   4.574  -0.919
   17   2HB   SER   4          2HB       SER   4   5.307   5.626  -1.027
   18    HG   SER   4           HG       SER   4   6.721   6.368   0.572
   19    H    HIS   5           H        HIS   5   4.485   1.983   1.662
   20    HA   HIS   5           HA       HIS   5   6.869   0.395   0.988
   21   1HB   HIS   5          1HB       HIS   5   5.764   0.889   3.768
   22   2HB   HIS   5          2HB       HIS   5   7.190  -0.068   3.369
   23    HD1  HIS   5           HD1      HIS   5   6.080   3.441   2.451
   24    HD2  HIS   5           HD2      HIS   5   9.405   1.426   3.909
   25    HE1  HIS   5           HE1      HIS   5   7.865   5.150   2.574
   26    HE2  HIS   5           HE2      HIS   5   9.845   3.977   3.653
   27    HA   PRO   6           HA       PRO   6   4.060  -2.865   0.128
   28   1HB   PRO   6          1HB       PRO   6   5.801  -4.933   0.926
   29   2HB   PRO   6          2HB       PRO   6   5.627  -4.262  -0.698
   30   1HG   PRO   6          1HG       PRO   6   7.651  -3.656   1.399
   31   2HG   PRO   6          2HG       PRO   6   7.825  -3.670  -0.366
   32   1HD   PRO   6          1HD       PRO   6   7.691  -1.369   0.995
   33   2HD   PRO   6          2HD       PRO   6   6.921  -1.542  -0.598
   34    H    ALA   7           H        ALA   7   5.906  -3.267   3.150
   35    HA   ALA   7           HA       ALA   7   4.168  -5.083   4.373
   36   1HB   ALA   7          1HB       ALA   7   6.014  -5.048   5.641
   37   2HB   ALA   7          2HB       ALA   7   5.211  -3.735   6.501
   38   3HB   ALA   7          3HB       ALA   7   6.381  -3.371   5.233
   39    H    CYS   8           H        CYS   8   4.250  -1.545   4.551
   40    HA   CYS   8           HA       CYS   8   2.060  -1.332   6.367
   41   1HB   CYS   8          1HB       CYS   8   3.001   0.824   4.475
   42   2HB   CYS   8          2HB       CYS   8   2.207   1.017   6.035
   43    H    ASN   9           H        ASN   9   2.239  -1.954   3.013
   44    HA   ASN   9           HA       ASN   9  -0.384  -0.847   2.429
   45   1HB   ASN   9          1HB       ASN   9   1.658  -2.331   0.791
   46   2HB   ASN   9          2HB       ASN   9   0.024  -2.070   0.190
   47   1HD2  ASN   9          1HD2      ASN   9   0.567   0.497   2.092
   48   2HD2  ASN   9          2HD2      ASN   9   1.212   1.607   0.928
   49    H    VAL  10           H        VAL  10   1.016  -3.870   3.371
   50    HA   VAL  10           HA       VAL  10  -1.298  -5.431   2.621
   51    HB   VAL  10           HB       VAL  10   1.048  -6.197   4.370
   52   1HG1  VAL  10          1HG1      VAL  10   0.117  -8.201   4.665
   53   2HG1  VAL  10          2HG1      VAL  10  -0.304  -8.337   2.957
   54   3HG1  VAL  10          3HG1      VAL  10  -1.382  -7.489   4.065
   55   1HG2  VAL  10          1HG2      VAL  10   0.729  -7.180   1.585
   56   2HG2  VAL  10          2HG2      VAL  10   2.193  -6.921   2.532
   57   3HG2  VAL  10          3HG2      VAL  10   1.341  -5.545   1.832
   58    H    ASN  11           H        ASN  11   0.243  -4.447   5.678
   59    HA   ASN  11           HA       ASN  11  -1.842  -5.392   7.343
   60   1HB   ASN  11          1HB       ASN  11   0.245  -3.268   7.887
   61   2HB   ASN  11          2HB       ASN  11  -0.779  -4.013   9.107
   62   1HD2  ASN  11          1HD2      ASN  11  -0.111  -6.353   6.895
   63   2HD2  ASN  11          2HD2      ASN  11   1.270  -7.070   7.653
   64    H    ASN  12           H        ASN  12  -1.285  -2.401   5.659
   65    HA   ASN  12           HA       ASN  12  -3.866  -1.368   6.637
   66   1HB   ASN  12          1HB       ASN  12  -1.559   0.302   5.652
   67   2HB   ASN  12          2HB       ASN  12  -3.050   0.880   6.388
   68   1HD2  ASN  12          1HD2      ASN  12  -2.944   1.373   8.474
   69   2HD2  ASN  12          2HD2      ASN  12  -1.749   0.803   9.583
   70    HA   PRO  13           HA       PRO  13  -3.867  -2.311   2.145
   71   1HB   PRO  13          1HB       PRO  13  -6.124  -3.784   2.013
   72   2HB   PRO  13          2HB       PRO  13  -4.575  -4.438   2.557
   73   1HG   PRO  13          1HG       PRO  13  -6.925  -3.542   4.169
   74   2HG   PRO  13          2HG       PRO  13  -5.861  -4.937   4.412
   75   1HD   PRO  13          1HD       PRO  13  -5.645  -2.596   5.811
   76   2HD   PRO  13          2HD       PRO  13  -4.291  -3.705   5.521
   77    H    HIS  14           H        HIS  14  -6.886  -1.370   3.800
   78    HA   HIS  14           HA       HIS  14  -7.788  -0.151   1.300
   79   1HB   HIS  14          1HB       HIS  14  -9.955   0.155   2.532
   80   2HB   HIS  14          2HB       HIS  14  -9.453  -1.518   2.331
   81    HD1  HIS  14           HD1      HIS  14  -8.503  -2.717   4.524
   82    HD2  HIS  14           HD2      HIS  14 -10.339   0.969   5.119
   83    HE1  HIS  14           HE1      HIS  14  -8.805  -2.499   7.013
   84    HE2  HIS  14           HE2      HIS  14  -9.785  -0.203   7.359
   85    H    ILE  15           H        ILE  15  -6.379   0.717   4.234
   86    HA   ILE  15           HA       ILE  15  -7.314   3.476   4.096
   87    HB   ILE  15           HB       ILE  15  -5.867   3.674   6.195
   88   1HG1  ILE  15          1HG1      ILE  15  -4.798   1.349   5.669
   89   2HG1  ILE  15          2HG1      ILE  15  -5.109   1.813   7.336
   90   1HG2  ILE  15          1HG2      ILE  15  -8.184   1.805   6.503
   91   2HG2  ILE  15          2HG2      ILE  15  -8.397   3.486   6.014
   92   3HG2  ILE  15          3HG2      ILE  15  -7.667   3.104   7.574
   93   1HD1  ILE  15          1HD1      ILE  15  -7.405   0.485   6.301
   94   2HD1  ILE  15          2HD1      ILE  15  -6.342   0.010   7.625
   95   3HD1  ILE  15          3HD1      ILE  15  -5.971  -0.490   5.975
   96    H    CYS  16           H        CYS  16  -4.531   1.501   3.610
   97    HA   CYS  16           HA       CYS  16  -2.930   3.890   3.035
   98   1HB   CYS  16          1HB       CYS  16  -2.420   2.831   5.191
   99   2HB   CYS  16          2HB       CYS  16  -2.079   1.308   4.369
  100    H    GLY  17           H        GLY  17  -3.750   0.655   2.006
  101   1HA   GLY  17          1HA       GLY  17  -1.776   0.904  -0.174
  102   2HA   GLY  17          2HA       GLY  17  -2.377  -0.625   0.454
  103   1HN   NH2  18          1HN       NH2  18  -4.651  -1.364  -0.898
  104   2HN   NH2  18          2HN       NH2  18  -3.495  -1.071  -2.148
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1   1.025   8.210   7.600
    2   2H    GLY   1          2H        GLY   1   1.791   8.026   6.101
    3   3H    GLY   1          3H        GLY   1   2.584   8.828   7.365
    4   1HA   GLY   1          1HA       GLY   1   2.930   6.890   8.576
    5   2HA   GLY   1          2HA       GLY   1   1.731   6.017   7.632
    6    H    CYS   2           H        CYS   2   2.673   4.508   6.442
    7    HA   CYS   2           HA       CYS   2   5.030   5.269   4.871
    8   1HB   CYS   2          1HB       CYS   2   5.858   2.859   5.278
    9   2HB   CYS   2          2HB       CYS   2   6.083   4.038   6.566
   10    H    CYS   3           H        CYS   3   2.683   5.446   3.712
   11    HA   CYS   3           HA       CYS   3   1.668   3.021   2.632
   12   1HB   CYS   3          1HB       CYS   3   1.237   5.916   1.964
   13   2HB   CYS   3          2HB       CYS   3   0.514   4.634   0.997
   14    H    SER   4           H        SER   4   4.553   4.427   1.995
   15    HA   SER   4           HA       SER   4   4.562   3.664  -0.830
   16   1HB   SER   4          1HB       SER   4   6.665   5.074   0.819
   17   2HB   SER   4          2HB       SER   4   6.793   4.718  -0.905
   18    HG   SER   4           HG       SER   4   5.327   6.229  -1.359
   19    H    HIS   5           H        HIS   5   4.542   1.926   1.698
   20    HA   HIS   5           HA       HIS   5   6.890   0.301   0.994
   21   1HB   HIS   5          1HB       HIS   5   5.775   0.677   3.788
   22   2HB   HIS   5          2HB       HIS   5   7.184  -0.287   3.345
   23    HD1  HIS   5           HD1      HIS   5   6.119   3.302   2.746
   24    HD2  HIS   5           HD2      HIS   5   9.457   1.106   3.870
   25    HE1  HIS   5           HE1      HIS   5   7.960   4.958   2.903
   26    HE2  HIS   5           HE2      HIS   5   9.929   3.662   3.857
   27    HA   PRO   6           HA       PRO   6   3.855  -2.769   0.040
   28   1HB   PRO   6          1HB       PRO   6   6.070  -4.639   0.712
   29   2HB   PRO   6          2HB       PRO   6   5.067  -4.554  -0.740
   30   1HG   PRO   6          1HG       PRO   6   7.568  -3.668  -0.793
   31   2HG   PRO   6          2HG       PRO   6   6.280  -2.787  -1.640
   32   1HD   PRO   6          1HD       PRO   6   7.621  -2.157   0.960
   33   2HD   PRO   6          2HD       PRO   6   7.082  -1.059  -0.332
   34    H    ALA   7           H        ALA   7   5.931  -3.355   2.863
   35    HA   ALA   7           HA       ALA   7   4.262  -5.234   4.138
   36   1HB   ALA   7          1HB       ALA   7   6.617  -3.656   4.844
   37   2HB   ALA   7          2HB       ALA   7   6.213  -5.329   5.226
   38   3HB   ALA   7          3HB       ALA   7   5.563  -4.017   6.211
   39    H    CYS   8           H        CYS   8   4.451  -1.707   4.411
   40    HA   CYS   8           HA       CYS   8   2.456  -1.482   6.428
   41   1HB   CYS   8          1HB       CYS   8   3.358   0.580   4.408
   42   2HB   CYS   8          2HB       CYS   8   2.422   0.902   5.862
   43    H    ASN   9           H        ASN   9   2.370  -1.856   2.988
   44    HA   ASN   9           HA       ASN   9  -0.336  -0.914   2.679
   45   1HB   ASN   9          1HB       ASN   9   1.574  -2.372   0.859
   46   2HB   ASN   9          2HB       ASN   9  -0.099  -2.070   0.402
   47   1HD2  ASN   9          1HD2      ASN   9   0.567   0.463   2.269
   48   2HD2  ASN   9          2HD2      ASN   9   1.172   1.577   1.084
   49    H    VAL  10           H        VAL  10   1.244  -3.959   3.333
   50    HA   VAL  10           HA       VAL  10  -1.017  -5.628   2.837
   51    HB   VAL  10           HB       VAL  10   1.349  -6.084   4.675
   52   1HG1  VAL  10          1HG1      VAL  10   0.638  -8.198   5.075
   53   2HG1  VAL  10          2HG1      VAL  10  -0.114  -8.357   3.486
   54   3HG1  VAL  10          3HG1      VAL  10  -0.946  -7.480   4.774
   55   1HG2  VAL  10          1HG2      VAL  10   2.447  -7.139   2.917
   56   2HG2  VAL  10          2HG2      VAL  10   1.727  -5.719   2.156
   57   3HG2  VAL  10          3HG2      VAL  10   0.970  -7.303   1.965
   58    H    ASN  11           H        ASN  11   0.392  -4.206   5.770
   59    HA   ASN  11           HA       ASN  11  -1.636  -5.110   7.526
   60   1HB   ASN  11          1HB       ASN  11   0.320  -2.820   7.825
   61   2HB   ASN  11          2HB       ASN  11  -0.694  -3.445   9.119
   62   1HD2  ASN  11          1HD2      ASN  11   0.175  -5.990   7.179
   63   2HD2  ASN  11          2HD2      ASN  11   1.553  -6.547   8.063
   64    H    ASN  12           H        ASN  12  -1.319  -2.297   5.503
   65    HA   ASN  12           HA       ASN  12  -3.942  -1.331   6.442
   66   1HB   ASN  12          1HB       ASN  12  -1.620   0.348   5.515
   67   2HB   ASN  12          2HB       ASN  12  -3.194   0.946   6.029
   68   1HD2  ASN  12          1HD2      ASN  12  -0.101   0.469   6.984
   69   2HD2  ASN  12          2HD2      ASN  12  -0.329   0.435   8.696
   70    HA   PRO  13           HA       PRO  13  -4.035  -2.138   1.928
   71   1HB   PRO  13          1HB       PRO  13  -6.040  -3.908   1.821
   72   2HB   PRO  13          2HB       PRO  13  -4.419  -4.371   2.355
   73   1HG   PRO  13          1HG       PRO  13  -6.868  -3.828   3.976
   74   2HG   PRO  13          2HG       PRO  13  -5.615  -5.057   4.215
   75   1HD   PRO  13          1HD       PRO  13  -5.768  -2.633   5.573
   76   2HD   PRO  13          2HD       PRO  13  -4.313  -3.640   5.429
   77    H    HIS  14           H        HIS  14  -6.734  -1.278   4.012
   78    HA   HIS  14           HA       HIS  14  -8.280  -0.436   1.685
   79   1HB   HIS  14          1HB       HIS  14 -10.125  -0.141   3.379
   80   2HB   HIS  14          2HB       HIS  14  -9.528  -1.783   3.178
   81    HD1  HIS  14           HD1      HIS  14  -9.195   1.147   5.568
   82    HD2  HIS  14           HD2      HIS  14  -8.755  -2.992   5.493
   83    HE1  HIS  14           HE1      HIS  14  -8.678   0.475   7.942
   84    HE2  HIS  14           HE2      HIS  14  -8.497  -2.041   7.888
   85    H    ILE  15           H        ILE  15  -6.562   0.918   4.351
   86    HA   ILE  15           HA       ILE  15  -7.634   3.591   3.837
   87    HB   ILE  15           HB       ILE  15  -6.051   4.152   5.796
   88   1HG1  ILE  15          1HG1      ILE  15  -6.316   1.225   6.422
   89   2HG1  ILE  15          2HG1      ILE  15  -4.940   1.830   5.502
   90   1HG2  ILE  15          1HG2      ILE  15  -7.916   2.516   7.156
   91   2HG2  ILE  15          2HG2      ILE  15  -8.698   3.153   5.709
   92   3HG2  ILE  15          3HG2      ILE  15  -7.971   4.256   6.877
   93   1HD1  ILE  15          1HD1      ILE  15  -4.548   1.564   7.929
   94   2HD1  ILE  15          2HD1      ILE  15  -5.716   2.859   8.207
   95   3HD1  ILE  15          3HD1      ILE  15  -4.234   3.181   7.301
   96    H    CYS  16           H        CYS  16  -4.728   1.697   3.680
   97    HA   CYS  16           HA       CYS  16  -3.200   4.062   2.957
   98   1HB   CYS  16          1HB       CYS  16  -2.506   2.906   4.956
   99   2HB   CYS  16          2HB       CYS  16  -2.389   1.377   4.088
  100    H    GLY  17           H        GLY  17  -3.004   0.598   2.166
  101   1HA   GLY  17          1HA       GLY  17  -2.546   1.374  -0.643
  102   2HA   GLY  17          2HA       GLY  17  -1.371   0.349   0.166
  103   1HN   NH2  18          1HN       NH2  18  -4.512  -0.203  -1.699
  104   2HN   NH2  18          2HN       NH2  18  -5.201  -0.664  -0.187
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1   7.124   7.815   3.701
    2   2H    GLY   1          2H        GLY   1   6.771   8.990   4.867
    3   3H    GLY   1          3H        GLY   1   6.459   9.299   3.229
    4   1HA   GLY   1          1HA       GLY   1   4.631   8.431   5.001
    5   2HA   GLY   1          2HA       GLY   1   4.505   8.265   3.256
    6    H    CYS   2           H        CYS   2   3.734   6.577   5.719
    7    HA   CYS   2           HA       CYS   2   5.243   4.179   5.550
    8   1HB   CYS   2          1HB       CYS   2   3.722   4.905   7.462
    9   2HB   CYS   2          2HB       CYS   2   2.367   4.396   6.460
   10    H    CYS   3           H        CYS   3   2.526   5.454   3.767
   11    HA   CYS   3           HA       CYS   3   1.719   2.992   2.588
   12   1HB   CYS   3          1HB       CYS   3   1.210   5.861   1.806
   13   2HB   CYS   3          2HB       CYS   3   0.495   4.484   0.970
   14    H    SER   4           H        SER   4   4.600   4.348   2.255
   15    HA   SER   4           HA       SER   4   4.834   3.836  -0.615
   16   1HB   SER   4          1HB       SER   4   5.825   5.939   0.446
   17   2HB   SER   4          2HB       SER   4   7.017   4.871   1.192
   18    HG   SER   4           HG       SER   4   6.599   5.449  -1.541
   19    H    HIS   5           H        HIS   5   4.577   1.910   1.803
   20    HA   HIS   5           HA       HIS   5   6.897   0.248   1.100
   21   1HB   HIS   5          1HB       HIS   5   5.697   0.492   3.873
   22   2HB   HIS   5          2HB       HIS   5   7.081  -0.504   3.417
   23    HD1  HIS   5           HD1      HIS   5   6.092   3.138   3.275
   24    HD2  HIS   5           HD2      HIS   5   9.466   0.783   3.806
   25    HE1  HIS   5           HE1      HIS   5   7.991   4.736   3.399
   26    HE2  HIS   5           HE2      HIS   5  10.060   3.304   3.598
   27    HA   PRO   6           HA       PRO   6   3.873  -2.779  -0.052
   28   1HB   PRO   6          1HB       PRO   6   5.983  -4.706   0.756
   29   2HB   PRO   6          2HB       PRO   6   5.104  -4.569  -0.771
   30   1HG   PRO   6          1HG       PRO   6   7.640  -3.768  -0.581
   31   2HG   PRO   6          2HG       PRO   6   6.463  -2.869  -1.560
   32   1HD   PRO   6          1HD       PRO   6   7.579  -2.226   1.137
   33   2HD   PRO   6          2HD       PRO   6   7.167  -1.136  -0.206
   34    H    ALA   7           H        ALA   7   5.821  -3.540   2.834
   35    HA   ALA   7           HA       ALA   7   3.965  -5.315   3.986
   36   1HB   ALA   7          1HB       ALA   7   5.228  -5.063   6.044
   37   2HB   ALA   7          2HB       ALA   7   6.029  -3.628   5.402
   38   3HB   ALA   7          3HB       ALA   7   6.317  -5.204   4.664
   39    H    CYS   8           H        CYS   8   4.376  -1.827   4.335
   40    HA   CYS   8           HA       CYS   8   2.403  -1.522   6.366
   41   1HB   CYS   8          1HB       CYS   8   4.196   0.141   5.905
   42   2HB   CYS   8          2HB       CYS   8   3.399   0.535   4.386
   43    H    ASN   9           H        ASN   9   2.304  -1.757   2.901
   44    HA   ASN   9           HA       ASN   9  -0.379  -0.726   2.636
   45   1HB   ASN   9          1HB       ASN   9   1.439  -2.207   0.734
   46   2HB   ASN   9          2HB       ASN   9  -0.211  -1.764   0.316
   47   1HD2  ASN   9          1HD2      ASN   9   0.685   0.620   2.289
   48   2HD2  ASN   9          2HD2      ASN   9   1.342   1.738   1.144
   49    H    VAL  10           H        VAL  10   1.078  -3.773   3.362
   50    HA   VAL  10           HA       VAL  10  -1.230  -5.363   2.707
   51    HB   VAL  10           HB       VAL  10   1.163  -6.040   4.431
   52   1HG1  VAL  10          1HG1      VAL  10  -1.197  -7.369   4.418
   53   2HG1  VAL  10          2HG1      VAL  10   0.369  -8.119   4.727
   54   3HG1  VAL  10          3HG1      VAL  10  -0.340  -8.186   3.113
   55   1HG2  VAL  10          1HG2      VAL  10   1.718  -7.435   2.343
   56   2HG2  VAL  10          2HG2      VAL  10   2.023  -5.698   2.293
   57   3HG2  VAL  10          3HG2      VAL  10   0.591  -6.365   1.509
   58    H    ASN  11           H        ASN  11   0.299  -4.249   5.725
   59    HA   ASN  11           HA       ASN  11  -1.768  -5.210   7.419
   60   1HB   ASN  11          1HB       ASN  11   0.342  -3.095   7.901
   61   2HB   ASN  11          2HB       ASN  11  -0.714  -3.746   9.149
   62   1HD2  ASN  11          1HD2      ASN  11   0.007  -6.145   6.943
   63   2HD2  ASN  11          2HD2      ASN  11   1.314  -6.898   7.790
   64    H    ASN  12           H        ASN  12  -1.315  -2.304   5.607
   65    HA   ASN  12           HA       ASN  12  -3.888  -1.285   6.616
   66   1HB   ASN  12          1HB       ASN  12  -1.536   0.344   5.666
   67   2HB   ASN  12          2HB       ASN  12  -3.096   0.987   6.176
   68   1HD2  ASN  12          1HD2      ASN  12  -0.031   0.568   7.144
   69   2HD2  ASN  12          2HD2      ASN  12  -0.258   0.486   8.855
   70    HA   PRO  13           HA       PRO  13  -3.928  -2.252   2.136
   71   1HB   PRO  13          1HB       PRO  13  -6.012  -3.944   2.047
   72   2HB   PRO  13          2HB       PRO  13  -4.412  -4.437   2.613
   73   1HG   PRO  13          1HG       PRO  13  -6.855  -3.745   4.187
   74   2HG   PRO  13          2HG       PRO  13  -5.659  -5.020   4.475
   75   1HD   PRO  13          1HD       PRO  13  -5.706  -2.600   5.792
   76   2HD   PRO  13          2HD       PRO  13  -4.266  -3.619   5.610
   77    H    HIS  14           H        HIS  14  -6.909  -1.507   3.919
   78    HA   HIS  14           HA       HIS  14  -8.097  -0.487   1.451
   79   1HB   HIS  14          1HB       HIS  14 -10.190  -0.401   2.791
   80   2HB   HIS  14          2HB       HIS  14  -9.469  -2.004   2.723
   81    HD1  HIS  14           HD1      HIS  14  -9.763   0.947   5.105
   82    HD2  HIS  14           HD2      HIS  14  -9.027  -3.152   5.155
   83    HE1  HIS  14           HE1      HIS  14  -9.635   0.311   7.537
   84    HE2  HIS  14           HE2      HIS  14  -9.127  -2.164   7.551
   85    H    ILE  15           H        ILE  15  -6.398   0.677   4.036
   86    HA   ILE  15           HA       ILE  15  -7.597   3.356   3.881
   87    HB   ILE  15           HB       ILE  15  -5.984   3.673   5.919
   88   1HG1  ILE  15          1HG1      ILE  15  -6.462   0.693   6.067
   89   2HG1  ILE  15          2HG1      ILE  15  -4.932   1.421   5.581
   90   1HG2  ILE  15          1HG2      ILE  15  -7.973   2.177   7.158
   91   2HG2  ILE  15          2HG2      ILE  15  -8.701   2.780   5.668
   92   3HG2  ILE  15          3HG2      ILE  15  -7.985   3.907   6.821
   93   1HD1  ILE  15          1HD1      ILE  15  -6.206   1.247   8.238
   94   2HD1  ILE  15          2HD1      ILE  15  -5.214   2.661   7.879
   95   3HD1  ILE  15          3HD1      ILE  15  -4.520   1.044   7.761
   96    H    CYS  16           H        CYS  16  -4.599   1.551   3.812
   97    HA   CYS  16           HA       CYS  16  -3.177   3.952   2.934
   98   1HB   CYS  16          1HB       CYS  16  -2.468   3.068   5.061
   99   2HB   CYS  16          2HB       CYS  16  -2.270   1.453   4.382
  100    H    GLY  17           H        GLY  17  -3.900   0.663   2.070
  101   1HA   GLY  17          1HA       GLY  17  -1.960   0.750  -0.132
  102   2HA   GLY  17          2HA       GLY  17  -2.825  -0.676   0.424
  103   1HN   NH2  18          1HN       NH2  18  -4.430  -0.816  -2.201
  104   2HN   NH2  18          2HN       NH2  18  -2.960   0.037  -2.512
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   3.680   8.885   6.408
    2   2H    GLY   1          2H        GLY   1   3.458   8.615   8.067
    3   3H    GLY   1          3H        GLY   1   2.212   9.306   7.146
    4   1HA   GLY   1          1HA       GLY   1   2.133   6.802   7.776
    5   2HA   GLY   1          2HA       GLY   1   1.596   7.349   6.194
    6    H    CYS   2           H        CYS   2   2.143   4.878   6.044
    7    HA   CYS   2           HA       CYS   2   4.821   4.744   4.840
    8   1HB   CYS   2          1HB       CYS   2   4.795   2.269   5.615
    9   2HB   CYS   2          2HB       CYS   2   5.221   3.515   6.780
   10    H    CYS   3           H        CYS   3   2.418   5.312   3.508
   11    HA   CYS   3           HA       CYS   3   1.329   2.942   2.355
   12   1HB   CYS   3          1HB       CYS   3   1.101   5.851   1.605
   13   2HB   CYS   3          2HB       CYS   3   0.248   4.562   0.756
   14    H    SER   4           H        SER   4   4.240   4.526   1.840
   15    HA   SER   4           HA       SER   4   4.465   3.513  -0.900
   16   1HB   SER   4          1HB       SER   4   6.349   5.258   0.689
   17   2HB   SER   4          2HB       SER   4   6.597   4.750  -0.983
   18    HG   SER   4           HG       SER   4   4.490   5.787  -1.402
   19    H    HIS   5           H        HIS   5   4.354   1.903   1.607
   20    HA   HIS   5           HA       HIS   5   6.901   0.471   1.271
   21   1HB   HIS   5          1HB       HIS   5   5.437   0.894   3.888
   22   2HB   HIS   5          2HB       HIS   5   6.945   0.006   3.673
   23    HD1  HIS   5           HD1      HIS   5   5.720   3.495   2.806
   24    HD2  HIS   5           HD2      HIS   5   9.073   1.563   4.307
   25    HE1  HIS   5           HE1      HIS   5   7.455   5.262   3.007
   26    HE2  HIS   5           HE2      HIS   5   9.507   4.089   3.896
   27    HA   PRO   6           HA       PRO   6   4.104  -2.694  -0.077
   28   1HB   PRO   6          1HB       PRO   6   5.967  -4.761   0.439
   29   2HB   PRO   6          2HB       PRO   6   5.674  -3.944  -1.097
   30   1HG   PRO   6          1HG       PRO   6   7.786  -3.457   0.932
   31   2HG   PRO   6          2HG       PRO   6   7.842  -3.242  -0.828
   32   1HD   PRO   6          1HD       PRO   6   7.688  -1.146   0.835
   33   2HD   PRO   6          2HD       PRO   6   6.834  -1.153  -0.727
   34    H    ALA   7           H        ALA   7   6.043  -3.420   2.824
   35    HA   ALA   7           HA       ALA   7   4.277  -5.386   3.828
   36   1HB   ALA   7          1HB       ALA   7   6.714  -4.121   4.687
   37   2HB   ALA   7          2HB       ALA   7   6.060  -5.703   5.114
   38   3HB   ALA   7          3HB       ALA   7   5.587  -4.276   6.036
   39    H    CYS   8           H        CYS   8   4.538  -1.910   4.441
   40    HA   CYS   8           HA       CYS   8   2.521  -1.818   6.431
   41   1HB   CYS   8          1HB       CYS   8   4.102  -0.007   6.250
   42   2HB   CYS   8          2HB       CYS   8   3.595   0.330   4.598
   43    H    ASN   9           H        ASN   9   2.423  -1.916   2.959
   44    HA   ASN   9           HA       ASN   9  -0.270  -0.961   2.684
   45   1HB   ASN   9          1HB       ASN   9   1.524  -2.533   0.829
   46   2HB   ASN   9          2HB       ASN   9  -0.105  -2.033   0.394
   47   1HD2  ASN   9          1HD2      ASN   9   0.780   0.380   2.282
   48   2HD2  ASN   9          2HD2      ASN   9   1.541   1.435   1.133
   49    H    VAL  10           H        VAL  10   1.101  -3.875   3.760
   50    HA   VAL  10           HA       VAL  10  -1.111  -5.555   2.974
   51    HB   VAL  10           HB       VAL  10   1.173  -6.133   4.871
   52   1HG1  VAL  10          1HG1      VAL  10  -1.061  -7.523   4.908
   53   2HG1  VAL  10          2HG1      VAL  10   0.507  -8.329   4.975
   54   3HG1  VAL  10          3HG1      VAL  10  -0.378  -8.248   3.452
   55   1HG2  VAL  10          1HG2      VAL  10   2.082  -7.423   2.952
   56   2HG2  VAL  10          2HG2      VAL  10   2.024  -5.682   2.673
   57   3HG2  VAL  10          3HG2      VAL  10   0.813  -6.734   1.940
   58    H    ASN  11           H        ASN  11   0.163  -4.238   6.043
   59    HA   ASN  11           HA       ASN  11  -2.149  -5.147   7.503
   60   1HB   ASN  11          1HB       ASN  11  -1.152  -3.930   9.410
   61   2HB   ASN  11          2HB       ASN  11  -0.009  -5.028   8.646
   62   1HD2  ASN  11          1HD2      ASN  11   1.797  -4.241   7.718
   63   2HD2  ASN  11          2HD2      ASN  11   2.268  -2.579   7.802
   64    H    ASN  12           H        ASN  12  -1.295  -2.367   5.698
   65    HA   ASN  12           HA       ASN  12  -3.815  -1.072   6.505
   66   1HB   ASN  12          1HB       ASN  12  -1.133   0.140   5.985
   67   2HB   ASN  12          2HB       ASN  12  -2.591   1.063   5.635
   68   1HD2  ASN  12          1HD2      ASN  12  -0.307   0.686   7.869
   69   2HD2  ASN  12          2HD2      ASN  12  -1.197   1.067   9.300
   70    HA   PRO  13           HA       PRO  13  -3.746  -2.320   2.062
   71   1HB   PRO  13          1HB       PRO  13  -6.422  -3.383   2.513
   72   2HB   PRO  13          2HB       PRO  13  -4.966  -4.219   1.971
   73   1HG   PRO  13          1HG       PRO  13  -6.046  -4.628   4.414
   74   2HG   PRO  13          2HG       PRO  13  -4.299  -4.728   4.114
   75   1HD   PRO  13          1HD       PRO  13  -5.896  -2.488   5.307
   76   2HD   PRO  13          2HD       PRO  13  -4.325  -3.145   5.814
   77    H    HIS  14           H        HIS  14  -6.936  -1.422   3.428
   78    HA   HIS  14           HA       HIS  14  -7.361   0.144   1.005
   79   1HB   HIS  14          1HB       HIS  14  -9.696   0.145   1.522
   80   2HB   HIS  14          2HB       HIS  14  -9.091  -1.491   1.733
   81    HD1  HIS  14           HD1      HIS  14  -8.758  -2.266   4.306
   82    HD2  HIS  14           HD2      HIS  14 -10.995   1.189   3.663
   83    HE1  HIS  14           HE1      HIS  14  -9.943  -1.801   6.482
   84    HE2  HIS  14           HE2      HIS  14 -11.194   0.363   6.108
   85    H    ILE  15           H        ILE  15  -6.473   0.671   4.210
   86    HA   ILE  15           HA       ILE  15  -7.521   3.384   4.256
   87    HB   ILE  15           HB       ILE  15  -5.765   2.545   6.457
   88   1HG1  ILE  15          1HG1      ILE  15  -7.897   1.260   7.403
   89   2HG1  ILE  15          2HG1      ILE  15  -8.149   0.913   5.694
   90   1HG2  ILE  15          1HG2      ILE  15  -8.491   3.759   6.195
   91   2HG2  ILE  15          2HG2      ILE  15  -6.986   4.549   6.665
   92   3HG2  ILE  15          3HG2      ILE  15  -7.751   3.389   7.752
   93   1HD1  ILE  15          1HD1      ILE  15  -6.798  -0.819   5.979
   94   2HD1  ILE  15          2HD1      ILE  15  -6.281  -0.247   7.564
   95   3HD1  ILE  15          3HD1      ILE  15  -5.475   0.340   6.112
   96    H    CYS  16           H        CYS  16  -4.881   1.846   3.056
   97    HA   CYS  16           HA       CYS  16  -3.250   4.257   3.225
   98   1HB   CYS  16          1HB       CYS  16  -2.532   2.821   5.059
   99   2HB   CYS  16          2HB       CYS  16  -2.284   1.482   3.942
  100    H    GLY  17           H        GLY  17  -2.805   0.933   1.991
  101   1HA   GLY  17          1HA       GLY  17  -1.725   2.126  -0.454
  102   2HA   GLY  17          2HA       GLY  17  -1.523   0.457   0.057
  103   1HN   NH2  18          1HN       NH2  18  -4.829   2.147  -0.646
  104   2HN   NH2  18          2HN       NH2  18  -5.132   0.526  -0.130
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1   4.344   7.728   8.482
    2   2H    GLY   1          2H        GLY   1   3.484   6.460   9.209
    3   3H    GLY   1          3H        GLY   1   2.816   8.020   9.163
    4   1HA   GLY   1          1HA       GLY   1   1.987   6.268   7.496
    5   2HA   GLY   1          2HA       GLY   1   2.294   7.911   6.949
    6    H    CYS   2           H        CYS   2   3.192   4.604   6.686
    7    HA   CYS   2           HA       CYS   2   5.292   5.343   4.751
    8   1HB   CYS   2          1HB       CYS   2   6.128   2.959   5.160
    9   2HB   CYS   2          2HB       CYS   2   6.389   4.129   6.448
   10    H    CYS   3           H        CYS   3   2.807   5.491   3.785
   11    HA   CYS   3           HA       CYS   3   1.781   3.034   2.787
   12   1HB   CYS   3          1HB       CYS   3   1.213   5.909   2.107
   13   2HB   CYS   3          2HB       CYS   3   0.414   4.574   1.280
   14    H    SER   4           H        SER   4   4.608   4.291   1.994
   15    HA   SER   4           HA       SER   4   4.396   3.714  -0.870
   16   1HB   SER   4          1HB       SER   4   5.581   5.802  -0.076
   17   2HB   SER   4          2HB       SER   4   6.807   4.747   0.630
   18    HG   SER   4           HG       SER   4   7.285   5.558  -1.524
   19    H    HIS   5           H        HIS   5   4.665   1.978   1.808
   20    HA   HIS   5           HA       HIS   5   6.747   0.194   0.741
   21   1HB   HIS   5          1HB       HIS   5   6.000   0.549   3.654
   22   2HB   HIS   5          2HB       HIS   5   7.331  -0.416   3.013
   23    HD1  HIS   5           HD1      HIS   5   6.205   3.192   2.786
   24    HD2  HIS   5           HD2      HIS   5   9.686   0.952   3.085
   25    HE1  HIS   5           HE1      HIS   5   8.059   4.838   2.609
   26    HE2  HIS   5           HE2      HIS   5  10.176   3.500   2.990
   27    HA   PRO   6           HA       PRO   6   3.597  -2.836   0.126
   28   1HB   PRO   6          1HB       PRO   6   5.783  -4.747   0.790
   29   2HB   PRO   6          2HB       PRO   6   4.709  -4.708  -0.612
   30   1HG   PRO   6          1HG       PRO   6   7.235  -3.905  -0.828
   31   2HG   PRO   6          2HG       PRO   6   5.934  -3.043  -1.671
   32   1HD   PRO   6          1HD       PRO   6   7.432  -2.275   0.797
   33   2HD   PRO   6          2HD       PRO   6   6.813  -1.252  -0.517
   34    H    ALA   7           H        ALA   7   5.756  -3.294   2.912
   35    HA   ALA   7           HA       ALA   7   4.065  -5.092   4.296
   36   1HB   ALA   7          1HB       ALA   7   5.485  -3.859   6.284
   37   2HB   ALA   7          2HB       ALA   7   6.518  -3.618   4.873
   38   3HB   ALA   7          3HB       ALA   7   6.031  -5.247   5.341
   39    H    CYS   8           H        CYS   8   4.359  -1.576   4.349
   40    HA   CYS   8           HA       CYS   8   2.459  -1.225   6.463
   41   1HB   CYS   8          1HB       CYS   8   3.335   0.788   4.385
   42   2HB   CYS   8          2HB       CYS   8   2.561   1.130   5.927
   43    H    ASN   9           H        ASN   9   2.297  -1.730   3.060
   44    HA   ASN   9           HA       ASN   9  -0.396  -0.695   2.791
   45   1HB   ASN   9          1HB       ASN   9   1.455  -2.110   0.874
   46   2HB   ASN   9          2HB       ASN   9  -0.202  -1.686   0.459
   47   1HD2  ASN   9          1HD2      ASN   9   0.653   0.671   2.490
   48   2HD2  ASN   9          2HD2      ASN   9   1.290   1.826   1.366
   49    H    VAL  10           H        VAL  10   1.120  -3.720   3.490
   50    HA   VAL  10           HA       VAL  10  -1.223  -5.243   2.770
   51    HB   VAL  10           HB       VAL  10   1.148  -6.057   2.552
   52   1HG1  VAL  10          1HG1      VAL  10   0.968  -6.848   5.427
   53   2HG1  VAL  10          2HG1      VAL  10   1.776  -5.368   4.911
   54   3HG1  VAL  10          3HG1      VAL  10   2.352  -6.933   4.338
   55   1HG2  VAL  10          1HG2      VAL  10  -0.351  -7.716   2.121
   56   2HG2  VAL  10          2HG2      VAL  10  -1.110  -7.592   3.709
   57   3HG2  VAL  10          3HG2      VAL  10   0.450  -8.400   3.534
   58    H    ASN  11           H        ASN  11   0.295  -4.025   5.698
   59    HA   ASN  11           HA       ASN  11  -1.640  -5.194   7.483
   60   1HB   ASN  11          1HB       ASN  11   0.268  -2.869   7.897
   61   2HB   ASN  11          2HB       ASN  11  -0.706  -3.609   9.158
   62   1HD2  ASN  11          1HD2      ASN  11   0.260  -5.959   7.045
   63   2HD2  ASN  11          2HD2      ASN  11   1.660  -6.532   7.889
   64    H    ASN  12           H        ASN  12  -1.472  -2.543   5.355
   65    HA   ASN  12           HA       ASN  12  -4.009  -1.459   6.391
   66   1HB   ASN  12          1HB       ASN  12  -1.566   0.125   5.640
   67   2HB   ASN  12          2HB       ASN  12  -3.163   0.829   5.871
   68   1HD2  ASN  12          1HD2      ASN  12  -0.281   0.204   7.324
   69   2HD2  ASN  12          2HD2      ASN  12  -0.771   0.296   8.979
   70    HA   PRO  13           HA       PRO  13  -3.983  -2.352   1.846
   71   1HB   PRO  13          1HB       PRO  13  -6.526  -3.714   2.280
   72   2HB   PRO  13          2HB       PRO  13  -5.014  -4.349   1.625
   73   1HG   PRO  13          1HG       PRO  13  -5.968  -5.070   4.057
   74   2HG   PRO  13          2HG       PRO  13  -4.236  -4.990   3.694
   75   1HD   PRO  13          1HD       PRO  13  -5.957  -3.021   5.153
   76   2HD   PRO  13          2HD       PRO  13  -4.306  -3.567   5.522
   77    H    HIS  14           H        HIS  14  -6.935  -1.535   3.671
   78    HA   HIS  14           HA       HIS  14  -7.966  -0.220   1.286
   79   1HB   HIS  14          1HB       HIS  14 -10.088  -0.031   2.610
   80   2HB   HIS  14          2HB       HIS  14  -9.539  -1.679   2.329
   81    HD1  HIS  14           HD1      HIS  14  -8.321  -2.837   4.466
   82    HD2  HIS  14           HD2      HIS  14 -10.550   0.600   5.206
   83    HE1  HIS  14           HE1      HIS  14  -8.609  -2.739   6.968
   84    HE2  HIS  14           HE2      HIS  14  -9.835  -0.579   7.402
   85    H    ILE  15           H        ILE  15  -6.463   0.647   4.214
   86    HA   ILE  15           HA       ILE  15  -7.493   3.376   4.085
   87    HB   ILE  15           HB       ILE  15  -6.036   3.646   6.163
   88   1HG1  ILE  15          1HG1      ILE  15  -4.907   1.340   5.674
   89   2HG1  ILE  15          2HG1      ILE  15  -5.219   1.827   7.334
   90   1HG2  ILE  15          1HG2      ILE  15  -7.829   2.264   7.516
   91   2HG2  ILE  15          2HG2      ILE  15  -8.589   2.173   5.927
   92   3HG2  ILE  15          3HG2      ILE  15  -8.246   3.743   6.653
   93   1HD1  ILE  15          1HD1      ILE  15  -7.421   0.347   6.140
   94   2HD1  ILE  15          2HD1      ILE  15  -6.597   0.120   7.682
   95   3HD1  ILE  15          3HD1      ILE  15  -5.913  -0.561   6.208
   96    H    CYS  16           H        CYS  16  -4.644   1.482   3.621
   97    HA   CYS  16           HA       CYS  16  -3.127   3.901   2.939
   98   1HB   CYS  16          1HB       CYS  16  -2.501   3.070   5.110
   99   2HB   CYS  16          2HB       CYS  16  -2.313   1.432   4.488
  100    H    GLY  17           H        GLY  17  -4.349   1.106   1.671
  101   1HA   GLY  17          1HA       GLY  17  -2.111   0.822  -0.231
  102   2HA   GLY  17          2HA       GLY  17  -3.272  -0.449   0.129
  103   1HN   NH2  18          1HN       NH2  18  -3.663  -0.479  -2.328
  104   2HN   NH2  18          2HN       NH2  18  -3.719   1.060  -3.113
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  -0.589   5.562   8.216
    2   2H    GLY   1          2H        GLY   1   0.433   4.291   8.682
    3   3H    GLY   1          3H        GLY   1  -0.300   4.270   7.157
    4   1HA   GLY   1          1HA       GLY   1   0.936   6.465   6.760
    5   2HA   GLY   1          2HA       GLY   1   1.918   5.947   8.126
    6    H    CYS   2           H        CYS   2   3.593   6.058   6.404
    7    HA   CYS   2           HA       CYS   2   4.917   5.197   4.756
    8   1HB   CYS   2          1HB       CYS   2   5.557   2.767   5.312
    9   2HB   CYS   2          2HB       CYS   2   5.864   4.010   6.514
   10    H    CYS   3           H        CYS   3   2.644   5.450   3.451
   11    HA   CYS   3           HA       CYS   3   1.683   2.960   2.409
   12   1HB   CYS   3          1HB       CYS   3   1.208   5.825   1.620
   13   2HB   CYS   3          2HB       CYS   3   0.515   4.473   0.728
   14    H    SER   4           H        SER   4   4.562   4.393   1.941
   15    HA   SER   4           HA       SER   4   4.774   3.581  -0.869
   16   1HB   SER   4          1HB       SER   4   5.688   5.818  -0.116
   17   2HB   SER   4          2HB       SER   4   6.884   4.924   0.822
   18    HG   SER   4           HG       SER   4   7.206   5.663  -1.586
   19    H    HIS   5           H        HIS   5   4.544   1.914   1.675
   20    HA   HIS   5           HA       HIS   5   6.950   0.274   1.267
   21   1HB   HIS   5          1HB       HIS   5   5.614   0.842   3.929
   22   2HB   HIS   5          2HB       HIS   5   7.031  -0.174   3.676
   23    HD1  HIS   5           HD1      HIS   5   6.095   3.392   2.783
   24    HD2  HIS   5           HD2      HIS   5   9.291   1.210   4.280
   25    HE1  HIS   5           HE1      HIS   5   7.956   5.024   2.987
   26    HE2  HIS   5           HE2      HIS   5   9.818   3.745   4.149
   27    HA   PRO   6           HA       PRO   6   3.971  -2.879   0.203
   28   1HB   PRO   6          1HB       PRO   6   6.181  -4.605   1.223
   29   2HB   PRO   6          2HB       PRO   6   5.254  -4.735  -0.276
   30   1HG   PRO   6          1HG       PRO   6   7.727  -3.752  -0.294
   31   2HG   PRO   6          2HG       PRO   6   6.460  -3.056  -1.325
   32   1HD   PRO   6          1HD       PRO   6   7.674  -1.988   1.177
   33   2HD   PRO   6          2HD       PRO   6   7.035  -1.118  -0.235
   34    H    ALA   7           H        ALA   7   5.829  -3.213   3.213
   35    HA   ALA   7           HA       ALA   7   4.146  -5.025   4.516
   36   1HB   ALA   7          1HB       ALA   7   5.150  -3.495   6.565
   37   2HB   ALA   7          2HB       ALA   7   6.323  -3.235   5.273
   38   3HB   ALA   7          3HB       ALA   7   5.961  -4.873   5.815
   39    H    CYS   8           H        CYS   8   4.136  -1.476   4.559
   40    HA   CYS   8           HA       CYS   8   1.836  -1.318   6.276
   41   1HB   CYS   8          1HB       CYS   8   2.971   0.867   4.530
   42   2HB   CYS   8          2HB       CYS   8   1.976   1.052   5.968
   43    H    ASN   9           H        ASN   9   2.248  -1.953   2.977
   44    HA   ASN   9           HA       ASN   9  -0.277  -0.782   2.144
   45   1HB   ASN   9          1HB       ASN   9   1.751  -2.522   0.729
   46   2HB   ASN   9          2HB       ASN   9   0.219  -2.065  -0.005
   47   1HD2  ASN   9          1HD2      ASN   9   0.738   0.526   1.730
   48   2HD2  ASN   9          2HD2      ASN   9   1.708   1.474   0.650
   49    H    VAL  10           H        VAL  10   1.021  -3.875   3.119
   50    HA   VAL  10           HA       VAL  10  -1.404  -5.307   2.454
   51    HB   VAL  10           HB       VAL  10   1.020  -6.228   4.012
   52   1HG1  VAL  10          1HG1      VAL  10  -0.836  -7.658   4.493
   53   2HG1  VAL  10          2HG1      VAL  10   0.219  -8.496   3.355
   54   3HG1  VAL  10          3HG1      VAL  10  -1.274  -7.747   2.786
   55   1HG2  VAL  10          1HG2      VAL  10   0.520  -5.889   1.149
   56   2HG2  VAL  10          2HG2      VAL  10   1.122  -7.484   1.598
   57   3HG2  VAL  10          3HG2      VAL  10   2.041  -6.041   2.027
   58    H    ASN  11           H        ASN  11   0.325  -4.329   5.405
   59    HA   ASN  11           HA       ASN  11  -1.638  -5.322   7.207
   60   1HB   ASN  11          1HB       ASN  11   0.468  -3.182   7.622
   61   2HB   ASN  11          2HB       ASN  11  -0.491  -3.913   8.903
   62   1HD2  ASN  11          1HD2      ASN  11   0.094  -6.252   6.643
   63   2HD2  ASN  11          2HD2      ASN  11   1.507  -6.967   7.340
   64    H    ASN  12           H        ASN  12  -1.180  -2.309   5.523
   65    HA   ASN  12           HA       ASN  12  -3.738  -1.331   6.605
   66   1HB   ASN  12          1HB       ASN  12  -1.448   0.347   5.592
   67   2HB   ASN  12          2HB       ASN  12  -2.981   0.950   6.213
   68   1HD2  ASN  12          1HD2      ASN  12  -3.016   1.530   8.260
   69   2HD2  ASN  12          2HD2      ASN  12  -1.892   1.034   9.476
   70    HA   PRO  13           HA       PRO  13  -3.970  -2.124   2.102
   71   1HB   PRO  13          1HB       PRO  13  -6.041  -3.835   2.042
   72   2HB   PRO  13          2HB       PRO  13  -4.412  -4.339   2.498
   73   1HG   PRO  13          1HG       PRO  13  -6.778  -3.796   4.221
   74   2HG   PRO  13          2HG       PRO  13  -5.508  -5.019   4.406
   75   1HD   PRO  13          1HD       PRO  13  -5.629  -2.606   5.782
   76   2HD   PRO  13          2HD       PRO  13  -4.180  -3.607   5.586
   77    H    HIS  14           H        HIS  14  -6.762  -1.370   4.151
   78    HA   HIS  14           HA       HIS  14  -8.142  -0.314   1.809
   79   1HB   HIS  14          1HB       HIS  14 -10.100  -0.118   3.357
   80   2HB   HIS  14          2HB       HIS  14  -9.499  -1.753   3.132
   81    HD1  HIS  14           HD1      HIS  14  -9.461   1.045   5.696
   82    HD2  HIS  14           HD2      HIS  14  -8.850  -3.066   5.437
   83    HE1  HIS  14           HE1      HIS  14  -9.197   0.242   8.070
   84    HE2  HIS  14           HE2      HIS  14  -8.981  -2.268   7.899
   85    H    ILE  15           H        ILE  15  -6.241   0.820   4.338
   86    HA   ILE  15           HA       ILE  15  -7.284   3.541   4.020
   87    HB   ILE  15           HB       ILE  15  -5.779   4.067   5.954
   88   1HG1  ILE  15          1HG1      ILE  15  -4.484   1.859   5.697
   89   2HG1  ILE  15          2HG1      ILE  15  -4.830   2.442   7.319
   90   1HG2  ILE  15          1HG2      ILE  15  -7.583   3.961   7.241
   91   2HG2  ILE  15          2HG2      ILE  15  -7.610   2.197   7.183
   92   3HG2  ILE  15          3HG2      ILE  15  -8.359   3.134   5.888
   93   1HD1  ILE  15          1HD1      ILE  15  -6.964   0.758   6.488
   94   2HD1  ILE  15          2HD1      ILE  15  -5.814   0.534   7.809
   95   3HD1  ILE  15          3HD1      ILE  15  -5.430  -0.067   6.196
   96    H    CYS  16           H        CYS  16  -4.532   1.480   3.731
   97    HA   CYS  16           HA       CYS  16  -2.943   3.704   2.663
   98   1HB   CYS  16          1HB       CYS  16  -2.346   2.848   4.930
   99   2HB   CYS  16          2HB       CYS  16  -1.997   1.276   4.208
  100    H    GLY  17           H        GLY  17  -4.564   1.272   1.451
  101   1HA   GLY  17          1HA       GLY  17  -2.477   0.665  -0.535
  102   2HA   GLY  17          2HA       GLY  17  -3.440  -0.639   0.146
  103   1HN   NH2  18          1HN       NH2  18  -6.225   1.641  -1.033
  104   2HN   NH2  18          2HN       NH2  18  -6.156   0.127  -0.188
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1   6.217   9.103   3.291
    2   2H    GLY   1          2H        GLY   1   4.921   8.757   2.254
    3   3H    GLY   1          3H        GLY   1   6.051   7.552   2.625
    4   1HA   GLY   1          1HA       GLY   1   5.042   8.490   5.045
    5   2HA   GLY   1          2HA       GLY   1   3.674   8.211   3.975
    6    H    CYS   2           H        CYS   2   3.080   6.460   5.439
    7    HA   CYS   2           HA       CYS   2   4.845   4.154   5.496
    8   1HB   CYS   2          1HB       CYS   2   3.214   4.858   7.377
    9   2HB   CYS   2          2HB       CYS   2   1.949   4.173   6.362
   10    H    CYS   3           H        CYS   3   2.383   5.454   3.514
   11    HA   CYS   3           HA       CYS   3   1.652   2.958   2.261
   12   1HB   CYS   3          1HB       CYS   3   1.146   5.828   1.459
   13   2HB   CYS   3          2HB       CYS   3   0.512   4.427   0.598
   14    H    SER   4           H        SER   4   4.498   4.066   2.413
   15    HA   SER   4           HA       SER   4   5.149   3.956  -0.443
   16   1HB   SER   4          1HB       SER   4   6.997   4.744   1.810
   17   2HB   SER   4          2HB       SER   4   7.232   5.006   0.080
   18    HG   SER   4           HG       SER   4   5.885   6.670   0.118
   19    H    HIS   5           H        HIS   5   4.657   1.860   1.936
   20    HA   HIS   5           HA       HIS   5   6.958   0.178   1.188
   21   1HB   HIS   5          1HB       HIS   5   5.722  -0.275   3.854
   22   2HB   HIS   5          2HB       HIS   5   7.396  -0.438   3.351
   23    HD1  HIS   5           HD1      HIS   5   8.065   2.361   2.460
   24    HD2  HIS   5           HD2      HIS   5   5.826   1.539   5.869
   25    HE1  HIS   5           HE1      HIS   5   8.059   4.469   3.793
   26    HE2  HIS   5           HE2      HIS   5   6.803   3.943   5.912
   27    HA   PRO   6           HA       PRO   6   3.796  -2.703  -0.095
   28   1HB   PRO   6          1HB       PRO   6   5.350  -4.968  -0.013
   29   2HB   PRO   6          2HB       PRO   6   5.325  -3.827  -1.361
   30   1HG   PRO   6          1HG       PRO   6   7.290  -4.082   0.874
   31   2HG   PRO   6          2HG       PRO   6   7.576  -3.720  -0.837
   32   1HD   PRO   6          1HD       PRO   6   7.614  -1.806   1.067
   33   2HD   PRO   6          2HD       PRO   6   7.049  -1.489  -0.590
   34    H    ALA   7           H        ALA   7   5.866  -3.318   2.684
   35    HA   ALA   7           HA       ALA   7   4.290  -5.344   3.882
   36   1HB   ALA   7          1HB       ALA   7   6.135  -3.423   5.290
   37   2HB   ALA   7          2HB       ALA   7   6.685  -4.848   4.407
   38   3HB   ALA   7          3HB       ALA   7   5.646  -5.032   5.821
   39    H    CYS   8           H        CYS   8   4.461  -1.836   4.346
   40    HA   CYS   8           HA       CYS   8   2.487  -1.731   6.383
   41   1HB   CYS   8          1HB       CYS   8   4.138   0.064   6.036
   42   2HB   CYS   8          2HB       CYS   8   3.399   0.441   4.483
   43    H    ASN   9           H        ASN   9   2.376  -1.831   2.914
   44    HA   ASN   9           HA       ASN   9  -0.336  -0.943   2.648
   45   1HB   ASN   9          1HB       ASN   9   1.601  -2.358   0.831
   46   2HB   ASN   9          2HB       ASN   9  -0.089  -2.167   0.371
   47   1HD2  ASN   9          1HD2      ASN   9   0.571   0.434   2.232
   48   2HD2  ASN   9          2HD2      ASN   9   1.052   1.555   1.006
   49    H    VAL  10           H        VAL  10   1.187  -3.905   3.544
   50    HA   VAL  10           HA       VAL  10  -1.038  -5.617   2.950
   51    HB   VAL  10           HB       VAL  10   1.278  -6.036   4.858
   52   1HG1  VAL  10          1HG1      VAL  10  -1.098  -7.640   4.256
   53   2HG1  VAL  10          2HG1      VAL  10   0.014  -7.726   5.623
   54   3HG1  VAL  10          3HG1      VAL  10   0.424  -8.517   4.101
   55   1HG2  VAL  10          1HG2      VAL  10   2.288  -5.967   2.794
   56   2HG2  VAL  10          2HG2      VAL  10   0.867  -6.594   1.960
   57   3HG2  VAL  10          3HG2      VAL  10   1.877  -7.678   2.916
   58    H    ASN  11           H        ASN  11   0.264  -4.166   5.934
   59    HA   ASN  11           HA       ASN  11  -1.896  -5.060   7.562
   60   1HB   ASN  11          1HB       ASN  11   0.141  -2.868   8.038
   61   2HB   ASN  11          2HB       ASN  11  -0.987  -3.461   9.251
   62   1HD2  ASN  11          1HD2      ASN  11  -0.082  -5.973   7.271
   63   2HD2  ASN  11          2HD2      ASN  11   1.190  -6.633   8.238
   64    H    ASN  12           H        ASN  12  -1.263  -2.213   5.680
   65    HA   ASN  12           HA       ASN  12  -3.903  -1.130   6.409
   66   1HB   ASN  12          1HB       ASN  12  -1.374   0.327   5.665
   67   2HB   ASN  12          2HB       ASN  12  -2.951   1.100   5.776
   68   1HD2  ASN  12          1HD2      ASN  12  -0.171   0.591   7.385
   69   2HD2  ASN  12          2HD2      ASN  12  -0.732   0.758   9.010
   70    HA   PRO  13           HA       PRO  13  -3.854  -2.089   1.922
   71   1HB   PRO  13          1HB       PRO  13  -6.050  -3.795   1.992
   72   2HB   PRO  13          2HB       PRO  13  -4.356  -4.277   2.067
   73   1HG   PRO  13          1HG       PRO  13  -6.330  -4.450   4.128
   74   2HG   PRO  13          2HG       PRO  13  -4.628  -4.923   4.205
   75   1HD   PRO  13          1HD       PRO  13  -5.944  -2.507   5.238
   76   2HD   PRO  13          2HD       PRO  13  -4.380  -3.219   5.681
   77    H    HIS  14           H        HIS  14  -6.771  -1.442   3.833
   78    HA   HIS  14           HA       HIS  14  -8.032  -0.309   1.453
   79   1HB   HIS  14          1HB       HIS  14 -10.096  -0.235   2.883
   80   2HB   HIS  14          2HB       HIS  14  -9.460  -1.845   2.584
   81    HD1  HIS  14           HD1      HIS  14  -8.089  -2.921   4.656
   82    HD2  HIS  14           HD2      HIS  14 -10.463   0.391   5.497
   83    HE1  HIS  14           HE1      HIS  14  -8.278  -2.841   7.164
   84    HE2  HIS  14           HE2      HIS  14  -9.944  -0.998   7.621
   85    H    ILE  15           H        ILE  15  -6.452   0.665   4.295
   86    HA   ILE  15           HA       ILE  15  -7.648   3.327   4.229
   87    HB   ILE  15           HB       ILE  15  -6.112   3.669   6.240
   88   1HG1  ILE  15          1HG1      ILE  15  -4.855   1.454   5.652
   89   2HG1  ILE  15          2HG1      ILE  15  -5.111   1.898   7.333
   90   1HG2  ILE  15          1HG2      ILE  15  -8.676   2.535   5.984
   91   2HG2  ILE  15          2HG2      ILE  15  -8.023   3.486   7.319
   92   3HG2  ILE  15          3HG2      ILE  15  -7.863   1.730   7.324
   93   1HD1  ILE  15          1HD1      ILE  15  -5.773  -0.503   6.091
   94   2HD1  ILE  15          2HD1      ILE  15  -7.308   0.320   6.362
   95   3HD1  ILE  15          3HD1      ILE  15  -6.215   0.023   7.715
   96    H    CYS  16           H        CYS  16  -4.697   1.626   3.645
   97    HA   CYS  16           HA       CYS  16  -3.326   4.149   3.112
   98   1HB   CYS  16          1HB       CYS  16  -2.407   2.961   4.969
   99   2HB   CYS  16          2HB       CYS  16  -2.333   1.458   4.051
  100    H    GLY  17           H        GLY  17  -2.636   0.805   2.109
  101   1HA   GLY  17          1HA       GLY  17  -2.725   1.726  -0.687
  102   2HA   GLY  17          2HA       GLY  17  -1.289   0.913  -0.081
  103   1HN   NH2  18          1HN       NH2  18  -4.966  -0.336  -0.364
  104   2HN   NH2  18          2HN       NH2  18  -4.166  -0.184  -1.888
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1   5.031  10.081   3.494
    2   2H    GLY   1          2H        GLY   1   5.875   8.663   3.112
    3   3H    GLY   1          3H        GLY   1   6.005   9.333   4.662
    4   1HA   GLY   1          1HA       GLY   1   3.863   8.713   5.270
    5   2HA   GLY   1          2HA       GLY   1   3.395   8.459   3.593
    6    H    CYS   2           H        CYS   2   2.858   6.510   5.435
    7    HA   CYS   2           HA       CYS   2   5.013   4.548   5.304
    8   1HB   CYS   2          1HB       CYS   2   3.639   4.898   7.391
    9   2HB   CYS   2          2HB       CYS   2   2.251   4.249   6.525
   10    H    CYS   3           H        CYS   3   2.303   5.449   3.481
   11    HA   CYS   3           HA       CYS   3   1.645   2.848   2.473
   12   1HB   CYS   3          1HB       CYS   3   1.000   5.594   1.396
   13   2HB   CYS   3          2HB       CYS   3   0.319   4.086   0.791
   14    H    SER   4           H        SER   4   4.436   4.252   2.241
   15    HA   SER   4           HA       SER   4   4.862   3.808  -0.615
   16   1HB   SER   4          1HB       SER   4   6.710   5.021   1.441
   17   2HB   SER   4          2HB       SER   4   7.011   4.926  -0.294
   18    HG   SER   4           HG       SER   4   5.701   6.564  -0.629
   19    H    HIS   5           H        HIS   5   4.707   1.901   1.936
   20    HA   HIS   5           HA       HIS   5   7.104   0.351   1.199
   21   1HB   HIS   5          1HB       HIS   5   5.954   0.043   3.937
   22   2HB   HIS   5          2HB       HIS   5   7.620  -0.114   3.399
   23    HD1  HIS   5           HD1      HIS   5   8.073   2.645   2.190
   24    HD2  HIS   5           HD2      HIS   5   6.153   2.000   5.819
   25    HE1  HIS   5           HE1      HIS   5   8.044   4.861   3.342
   26    HE2  HIS   5           HE2      HIS   5   7.067   4.421   5.629
   27    HA   PRO   6           HA       PRO   6   4.349  -2.846  -0.090
   28   1HB   PRO   6          1HB       PRO   6   6.458  -4.640   1.014
   29   2HB   PRO   6          2HB       PRO   6   5.689  -4.650  -0.579
   30   1HG   PRO   6          1HG       PRO   6   8.155  -3.694  -0.276
   31   2HG   PRO   6          2HG       PRO   6   7.002  -2.909  -1.373
   32   1HD   PRO   6          1HD       PRO   6   7.930  -2.058   1.333
   33   2HD   PRO   6          2HD       PRO   6   7.500  -1.070  -0.079
   34    H    ALA   7           H        ALA   7   6.028  -3.657   2.945
   35    HA   ALA   7           HA       ALA   7   4.054  -5.390   3.922
   36   1HB   ALA   7          1HB       ALA   7   5.250  -5.433   5.936
   37   2HB   ALA   7          2HB       ALA   7   5.872  -3.799   5.705
   38   3HB   ALA   7          3HB       ALA   7   6.470  -5.119   4.700
   39    H    CYS   8           H        CYS   8   4.486  -1.917   4.347
   40    HA   CYS   8           HA       CYS   8   2.488  -1.602   6.331
   41   1HB   CYS   8          1HB       CYS   8   4.314   0.046   5.805
   42   2HB   CYS   8          2HB       CYS   8   3.424   0.483   4.351
   43    H    ASN   9           H        ASN   9   2.401  -1.801   2.860
   44    HA   ASN   9           HA       ASN   9  -0.270  -0.774   2.568
   45   1HB   ASN   9          1HB       ASN   9   1.626  -2.232   0.744
   46   2HB   ASN   9          2HB       ASN   9  -0.048  -1.962   0.274
   47   1HD2  ASN   9          1HD2      ASN   9   0.646   0.575   2.166
   48   2HD2  ASN   9          2HD2      ASN   9   1.198   1.695   0.967
   49    H    VAL  10           H        VAL  10   1.115  -3.828   3.400
   50    HA   VAL  10           HA       VAL  10  -1.173  -5.397   2.652
   51    HB   VAL  10           HB       VAL  10   1.105  -6.111   4.514
   52   1HG1  VAL  10          1HG1      VAL  10   0.377  -8.466   3.649
   53   2HG1  VAL  10          2HG1      VAL  10  -1.166  -7.668   3.353
   54   3HG1  VAL  10          3HG1      VAL  10  -0.494  -7.710   4.984
   55   1HG2  VAL  10          1HG2      VAL  10   2.256  -7.019   2.706
   56   2HG2  VAL  10          2HG2      VAL  10   1.637  -5.489   2.080
   57   3HG2  VAL  10          3HG2      VAL  10   0.829  -7.003   1.668
   58    H    ASN  11           H        ASN  11   0.235  -4.467   5.810
   59    HA   ASN  11           HA       ASN  11  -1.979  -5.368   7.317
   60   1HB   ASN  11          1HB       ASN  11   0.123  -3.311   8.032
   61   2HB   ASN  11          2HB       ASN  11  -0.971  -4.094   9.170
   62   1HD2  ASN  11          1HD2      ASN  11   1.931  -4.320   7.433
   63   2HD2  ASN  11          2HD2      ASN  11   2.400  -5.899   7.964
   64    H    ASN  12           H        ASN  12  -1.371  -2.452   5.584
   65    HA   ASN  12           HA       ASN  12  -3.907  -1.329   6.573
   66   1HB   ASN  12          1HB       ASN  12  -1.406   0.146   5.775
   67   2HB   ASN  12          2HB       ASN  12  -2.955   0.916   6.113
   68   1HD2  ASN  12          1HD2      ASN  12  -0.042   0.103   7.404
   69   2HD2  ASN  12          2HD2      ASN  12  -0.453   0.126   9.083
   70    HA   PRO  13           HA       PRO  13  -4.047  -1.981   2.047
   71   1HB   PRO  13          1HB       PRO  13  -6.023  -3.801   1.919
   72   2HB   PRO  13          2HB       PRO  13  -4.369  -4.224   2.368
   73   1HG   PRO  13          1HG       PRO  13  -6.785  -4.009   4.054
   74   2HG   PRO  13          2HG       PRO  13  -5.327  -4.985   4.293
   75   1HD   PRO  13          1HD       PRO  13  -5.974  -2.500   5.526
   76   2HD   PRO  13          2HD       PRO  13  -4.462  -3.413   5.665
   77    H    HIS  14           H        HIS  14  -6.810  -1.207   4.100
   78    HA   HIS  14           HA       HIS  14  -8.328  -0.362   1.747
   79   1HB   HIS  14          1HB       HIS  14 -10.232  -0.116   3.279
   80   2HB   HIS  14          2HB       HIS  14  -9.530  -1.725   3.367
   81    HD1  HIS  14           HD1      HIS  14  -7.935  -2.136   5.530
   82    HD2  HIS  14           HD2      HIS  14 -10.505   1.130   5.674
   83    HE1  HIS  14           HE1      HIS  14  -7.966  -1.406   7.939
   84    HE2  HIS  14           HE2      HIS  14  -9.677   0.445   8.033
   85    H    ILE  15           H        ILE  15  -6.513   0.916   4.316
   86    HA   ILE  15           HA       ILE  15  -7.514   3.636   3.872
   87    HB   ILE  15           HB       ILE  15  -5.932   4.054   5.896
   88   1HG1  ILE  15          1HG1      ILE  15  -6.515   1.127   6.339
   89   2HG1  ILE  15          2HG1      ILE  15  -4.979   1.705   5.692
   90   1HG2  ILE  15          1HG2      ILE  15  -7.959   2.721   7.243
   91   2HG2  ILE  15          2HG2      ILE  15  -8.667   3.189   5.695
   92   3HG2  ILE  15          3HG2      ILE  15  -7.944   4.410   6.742
   93   1HD1  ILE  15          1HD1      ILE  15  -5.866   1.527   8.386
   94   2HD1  ILE  15          2HD1      ILE  15  -5.472   3.201   7.992
   95   3HD1  ILE  15          3HD1      ILE  15  -4.273   1.931   7.746
   96    H    CYS  16           H        CYS  16  -4.673   1.625   3.872
   97    HA   CYS  16           HA       CYS  16  -3.071   3.866   2.874
   98   1HB   CYS  16          1HB       CYS  16  -2.527   2.928   5.114
   99   2HB   CYS  16          2HB       CYS  16  -2.201   1.368   4.355
  100    H    GLY  17           H        GLY  17  -4.388   0.891   2.016
  101   1HA   GLY  17          1HA       GLY  17  -2.294   0.332   0.034
  102   2HA   GLY  17          2HA       GLY  17  -3.590  -0.762   0.497
  103   1HN   NH2  18          1HN       NH2  18  -4.217  -0.645  -2.346
  104   2HN   NH2  18          2HN       NH2  18  -3.083   0.639  -2.578
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1   4.998   9.685   5.453
    2   2H    GLY   1          2H        GLY   1   5.336   8.170   6.133
    3   3H    GLY   1          3H        GLY   1   3.735   8.727   6.060
    4   1HA   GLY   1          1HA       GLY   1   3.514   8.316   3.841
    5   2HA   GLY   1          2HA       GLY   1   5.242   8.480   3.559
    6    H    CYS   2           H        CYS   2   3.478   6.461   5.895
    7    HA   CYS   2           HA       CYS   2   5.095   4.186   5.461
    8   1HB   CYS   2          1HB       CYS   2   3.629   4.745   7.486
    9   2HB   CYS   2          2HB       CYS   2   2.274   4.146   6.538
   10    H    CYS   3           H        CYS   3   2.261   5.407   3.876
   11    HA   CYS   3           HA       CYS   3   1.365   3.017   2.690
   12   1HB   CYS   3          1HB       CYS   3   1.000   5.882   1.804
   13   2HB   CYS   3          2HB       CYS   3   0.116   4.504   1.147
   14    H    SER   4           H        SER   4   4.256   4.534   2.150
   15    HA   SER   4           HA       SER   4   4.365   3.773  -0.670
   16   1HB   SER   4          1HB       SER   4   5.232   6.031   0.128
   17   2HB   SER   4          2HB       SER   4   6.544   5.144   0.904
   18    HG   SER   4           HG       SER   4   6.079   4.516  -1.759
   19    H    HIS   5           H        HIS   5   4.292   1.919   1.696
   20    HA   HIS   5           HA       HIS   5   6.763   0.453   1.087
   21   1HB   HIS   5          1HB       HIS   5   5.515   0.710   3.838
   22   2HB   HIS   5          2HB       HIS   5   6.957  -0.221   3.436
   23    HD1  HIS   5           HD1      HIS   5   5.793   3.364   3.072
   24    HD2  HIS   5           HD2      HIS   5   9.240   1.203   3.898
   25    HE1  HIS   5           HE1      HIS   5   7.615   5.059   3.184
   26    HE2  HIS   5           HE2      HIS   5   9.707   3.759   3.772
   27    HA   PRO   6           HA       PRO   6   3.856  -2.633  -0.171
   28   1HB   PRO   6          1HB       PRO   6   5.651  -4.770   0.070
   29   2HB   PRO   6          2HB       PRO   6   5.386  -3.783  -1.370
   30   1HG   PRO   6          1HG       PRO   6   7.521  -3.586   0.699
   31   2HG   PRO   6          2HG       PRO   6   7.612  -3.279  -1.045
   32   1HD   PRO   6          1HD       PRO   6   7.557  -1.273   0.732
   33   2HD   PRO   6          2HD       PRO   6   6.730  -1.144  -0.839
   34    H    ALA   7           H        ALA   7   5.908  -3.321   2.647
   35    HA   ALA   7           HA       ALA   7   4.186  -5.362   3.668
   36   1HB   ALA   7          1HB       ALA   7   6.591  -5.217   4.233
   37   2HB   ALA   7          2HB       ALA   7   5.548  -5.303   5.652
   38   3HB   ALA   7          3HB       ALA   7   6.251  -3.760   5.169
   39    H    CYS   8           H        CYS   8   4.465  -1.901   4.124
   40    HA   CYS   8           HA       CYS   8   2.680  -1.739   6.347
   41   1HB   CYS   8          1HB       CYS   8   4.340   0.019   5.817
   42   2HB   CYS   8          2HB       CYS   8   3.447   0.400   4.349
   43    H    ASN   9           H        ASN   9   2.303  -1.977   2.932
   44    HA   ASN   9           HA       ASN   9  -0.410  -0.991   2.882
   45   1HB   ASN   9          1HB       ASN   9   1.294  -2.406   0.826
   46   2HB   ASN   9          2HB       ASN   9  -0.380  -1.950   0.532
   47   1HD2  ASN   9          1HD2      ASN   9   0.629   0.374   2.510
   48   2HD2  ASN   9          2HD2      ASN   9   1.222   1.531   1.364
   49    H    VAL  10           H        VAL  10   1.057  -3.897   3.806
   50    HA   VAL  10           HA       VAL  10  -1.097  -5.649   3.049
   51    HB   VAL  10           HB       VAL  10   1.094  -6.094   5.087
   52   1HG1  VAL  10          1HG1      VAL  10  -1.049  -7.820   3.963
   53   2HG1  VAL  10          2HG1      VAL  10  -0.350  -7.791   5.581
   54   3HG1  VAL  10          3HG1      VAL  10   0.532  -8.546   4.255
   55   1HG2  VAL  10          1HG2      VAL  10   1.346  -7.517   2.578
   56   2HG2  VAL  10          2HG2      VAL  10   2.524  -6.531   3.441
   57   3HG2  VAL  10          3HG2      VAL  10   1.365  -5.769   2.352
   58    H    ASN  11           H        ASN  11   0.103  -4.477   6.215
   59    HA   ASN  11           HA       ASN  11  -2.317  -5.263   7.543
   60   1HB   ASN  11          1HB       ASN  11  -1.321  -4.226   9.528
   61   2HB   ASN  11          2HB       ASN  11  -0.167  -5.275   8.711
   62   1HD2  ASN  11          1HD2      ASN  11   1.670  -4.433   7.891
   63   2HD2  ASN  11          2HD2      ASN  11   2.137  -2.775   8.079
   64    H    ASN  12           H        ASN  12  -1.468  -2.615   5.670
   65    HA   ASN  12           HA       ASN  12  -3.863  -1.155   6.561
   66   1HB   ASN  12          1HB       ASN  12  -1.244   0.069   5.708
   67   2HB   ASN  12          2HB       ASN  12  -2.742   0.967   5.914
   68   1HD2  ASN  12          1HD2      ASN  12   0.049   0.634   7.295
   69   2HD2  ASN  12          2HD2      ASN  12  -0.374   0.690   8.970
   70    HA   PRO  13           HA       PRO  13  -3.772  -2.323   2.089
   71   1HB   PRO  13          1HB       PRO  13  -6.064  -3.742   1.947
   72   2HB   PRO  13          2HB       PRO  13  -4.541  -4.428   2.522
   73   1HG   PRO  13          1HG       PRO  13  -6.897  -3.462   4.082
   74   2HG   PRO  13          2HG       PRO  13  -5.859  -4.869   4.369
   75   1HD   PRO  13          1HD       PRO  13  -5.634  -2.489   5.722
   76   2HD   PRO  13          2HD       PRO  13  -4.302  -3.639   5.501
   77    H    HIS  14           H        HIS  14  -6.808  -1.349   3.674
   78    HA   HIS  14           HA       HIS  14  -7.704  -0.234   1.143
   79   1HB   HIS  14          1HB       HIS  14  -9.882   0.040   2.369
   80   2HB   HIS  14          2HB       HIS  14  -9.300  -1.615   2.239
   81    HD1  HIS  14           HD1      HIS  14  -9.356   1.221   4.788
   82    HD2  HIS  14           HD2      HIS  14  -9.235  -2.941   4.610
   83    HE1  HIS  14           HE1      HIS  14  -9.425   0.431   7.181
   84    HE2  HIS  14           HE2      HIS  14  -9.276  -2.084   7.056
   85    H    ILE  15           H        ILE  15  -6.410   0.872   4.079
   86    HA   ILE  15           HA       ILE  15  -7.389   3.605   3.700
   87    HB   ILE  15           HB       ILE  15  -5.985   3.922   5.862
   88   1HG1  ILE  15          1HG1      ILE  15  -6.483   0.964   6.122
   89   2HG1  ILE  15          2HG1      ILE  15  -4.952   1.596   5.516
   90   1HG2  ILE  15          1HG2      ILE  15  -8.169   2.230   6.693
   91   2HG2  ILE  15          2HG2      ILE  15  -8.645   3.315   5.386
   92   3HG2  ILE  15          3HG2      ILE  15  -7.957   3.971   6.872
   93   1HD1  ILE  15          1HD1      ILE  15  -6.111   1.676   8.225
   94   2HD1  ILE  15          2HD1      ILE  15  -5.082   3.014   7.712
   95   3HD1  ILE  15          3HD1      ILE  15  -4.457   1.365   7.694
   96    H    CYS  16           H        CYS  16  -4.523   1.647   3.650
   97    HA   CYS  16           HA       CYS  16  -2.917   4.001   2.940
   98   1HB   CYS  16          1HB       CYS  16  -2.627   3.019   5.235
   99   2HB   CYS  16          2HB       CYS  16  -2.046   1.538   4.471
  100    H    GLY  17           H        GLY  17  -3.942   0.941   1.920
  101   1HA   GLY  17          1HA       GLY  17  -1.574   0.531   0.237
  102   2HA   GLY  17          2HA       GLY  17  -2.843  -0.649   0.534
  103   1HN   NH2  18          1HN       NH2  18  -5.062   0.054  -0.410
  104   2HN   NH2  18          2HN       NH2  18  -5.069   1.048  -1.824
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1   7.223   9.166   4.144
    2   2H    GLY   1          2H        GLY   1   6.508   8.488   2.768
    3   3H    GLY   1          3H        GLY   1   7.480   7.533   3.778
    4   1HA   GLY   1          1HA       GLY   1   5.577   8.534   5.468
    5   2HA   GLY   1          2HA       GLY   1   4.699   8.164   3.986
    6    H    CYS   2           H        CYS   2   3.589   6.422   4.872
    7    HA   CYS   2           HA       CYS   2   5.272   4.074   5.468
    8   1HB   CYS   2          1HB       CYS   2   3.810   4.943   7.367
    9   2HB   CYS   2          2HB       CYS   2   2.420   4.459   6.403
   10    H    CYS   3           H        CYS   3   2.493   5.367   3.764
   11    HA   CYS   3           HA       CYS   3   1.667   2.905   2.595
   12   1HB   CYS   3          1HB       CYS   3   1.106   5.780   1.866
   13   2HB   CYS   3          2HB       CYS   3   0.369   4.404   1.046
   14    H    SER   4           H        SER   4   4.487   4.338   2.216
   15    HA   SER   4           HA       SER   4   4.710   3.877  -0.655
   16   1HB   SER   4          1HB       SER   4   7.131   4.774  -0.067
   17   2HB   SER   4          2HB       SER   4   5.771   5.881  -0.276
   18    HG   SER   4           HG       SER   4   7.281   5.783   1.788
   19    H    HIS   5           H        HIS   5   4.572   1.880   1.731
   20    HA   HIS   5           HA       HIS   5   6.914   0.307   0.902
   21   1HB   HIS   5          1HB       HIS   5   5.849   0.465   3.727
   22   2HB   HIS   5          2HB       HIS   5   7.234  -0.480   3.184
   23    HD1  HIS   5           HD1      HIS   5   6.128   3.121   3.238
   24    HD2  HIS   5           HD2      HIS   5   9.601   0.860   3.377
   25    HE1  HIS   5           HE1      HIS   5   7.980   4.771   3.282
   26    HE2  HIS   5           HE2      HIS   5  10.090   3.400   3.162
   27    HA   PRO   6           HA       PRO   6   4.094  -2.928  -0.059
   28   1HB   PRO   6          1HB       PRO   6   6.170  -4.760   1.017
   29   2HB   PRO   6          2HB       PRO   6   5.400  -4.739  -0.573
   30   1HG   PRO   6          1HG       PRO   6   7.905  -3.883  -0.271
   31   2HG   PRO   6          2HG       PRO   6   6.785  -3.056  -1.373
   32   1HD   PRO   6          1HD       PRO   6   7.693  -2.258   1.367
   33   2HD   PRO   6          2HD       PRO   6   7.400  -1.249  -0.068
   34    H    ALA   7           H        ALA   7   5.883  -3.584   2.943
   35    HA   ALA   7           HA       ALA   7   4.016  -5.306   4.090
   36   1HB   ALA   7          1HB       ALA   7   5.661  -3.565   5.856
   37   2HB   ALA   7          2HB       ALA   7   6.478  -4.681   4.760
   38   3HB   ALA   7          3HB       ALA   7   5.337  -5.297   5.955
   39    H    CYS   8           H        CYS   8   4.409  -1.809   4.534
   40    HA   CYS   8           HA       CYS   8   2.333  -1.479   6.416
   41   1HB   CYS   8          1HB       CYS   8   4.153   0.164   5.950
   42   2HB   CYS   8          2HB       CYS   8   3.374   0.547   4.420
   43    H    ASN   9           H        ASN   9   2.321  -1.742   2.938
   44    HA   ASN   9           HA       ASN   9  -0.356  -0.759   2.581
   45   1HB   ASN   9          1HB       ASN   9   1.520  -2.333   0.819
   46   2HB   ASN   9          2HB       ASN   9  -0.131  -1.967   0.336
   47   1HD2  ASN   9          1HD2      ASN   9   0.655   0.593   2.141
   48   2HD2  ASN   9          2HD2      ASN   9   1.319   1.632   0.922
   49    H    VAL  10           H        VAL  10   1.139  -3.828   3.320
   50    HA   VAL  10           HA       VAL  10  -1.178  -5.426   2.791
   51    HB   VAL  10           HB       VAL  10   1.238  -6.044   4.513
   52   1HG1  VAL  10          1HG1      VAL  10   0.233  -7.943   5.081
   53   2HG1  VAL  10          2HG1      VAL  10   0.052  -8.364   3.378
   54   3HG1  VAL  10          3HG1      VAL  10  -1.211  -7.448   4.200
   55   1HG2  VAL  10          1HG2      VAL  10   0.666  -6.375   1.598
   56   2HG2  VAL  10          2HG2      VAL  10   1.747  -7.500   2.420
   57   3HG2  VAL  10          3HG2      VAL  10   2.122  -5.775   2.394
   58    H    ASN  11           H        ASN  11   0.357  -4.136   5.729
   59    HA   ASN  11           HA       ASN  11  -1.552  -5.077   7.576
   60   1HB   ASN  11          1HB       ASN  11   0.240  -2.638   7.710
   61   2HB   ASN  11          2HB       ASN  11  -0.708  -3.242   9.062
   62   1HD2  ASN  11          1HD2      ASN  11   0.320  -5.816   7.223
   63   2HD2  ASN  11          2HD2      ASN  11   1.729  -6.238   8.133
   64    H    ASN  12           H        ASN  12  -1.324  -2.081   5.746
   65    HA   ASN  12           HA       ASN  12  -4.046  -1.355   6.611
   66   1HB   ASN  12          1HB       ASN  12  -1.782   0.409   5.694
   67   2HB   ASN  12          2HB       ASN  12  -3.408   0.974   6.053
   68   1HD2  ASN  12          1HD2      ASN  12  -3.018  -1.366   8.232
   69   2HD2  ASN  12          2HD2      ASN  12  -2.322  -0.473   9.536
   70    HA   PRO  13           HA       PRO  13  -4.104  -2.680   2.179
   71   1HB   PRO  13          1HB       PRO  13  -6.721  -3.575   2.258
   72   2HB   PRO  13          2HB       PRO  13  -5.292  -4.567   2.560
   73   1HG   PRO  13          1HG       PRO  13  -7.148  -3.275   4.507
   74   2HG   PRO  13          2HG       PRO  13  -6.345  -4.854   4.594
   75   1HD   PRO  13          1HD       PRO  13  -5.473  -2.738   6.006
   76   2HD   PRO  13          2HD       PRO  13  -4.356  -3.944   5.335
   77    H    HIS  14           H        HIS  14  -7.303  -1.627   3.315
   78    HA   HIS  14           HA       HIS  14  -7.421   0.130   0.988
   79   1HB   HIS  14          1HB       HIS  14  -9.868   0.274   1.556
   80   2HB   HIS  14          2HB       HIS  14  -9.287  -1.328   1.124
   81    HD1  HIS  14           HD1      HIS  14 -10.061   0.678   4.284
   82    HD2  HIS  14           HD2      HIS  14  -9.989  -3.252   2.891
   83    HE1  HIS  14           HE1      HIS  14 -10.966  -0.734   6.165
   84    HE2  HIS  14           HE2      HIS  14 -10.859  -3.115   5.329
   85    H    ILE  15           H        ILE  15  -6.444   0.481   4.037
   86    HA   ILE  15           HA       ILE  15  -7.597   3.126   4.432
   87    HB   ILE  15           HB       ILE  15  -5.677   1.704   6.282
   88   1HG1  ILE  15          1HG1      ILE  15  -7.997   1.270   7.535
   89   2HG1  ILE  15          2HG1      ILE  15  -8.591   1.222   5.879
   90   1HG2  ILE  15          1HG2      ILE  15  -5.827   3.678   7.275
   91   2HG2  ILE  15          2HG2      ILE  15  -7.429   3.147   7.787
   92   3HG2  ILE  15          3HG2      ILE  15  -7.249   4.139   6.341
   93   1HD1  ILE  15          1HD1      ILE  15  -7.860  -0.847   5.642
   94   2HD1  ILE  15          2HD1      ILE  15  -7.385  -0.837   7.341
   95   3HD1  ILE  15          3HD1      ILE  15  -6.225  -0.368   6.100
   96    H    CYS  16           H        CYS  16  -4.835   1.507   3.262
   97    HA   CYS  16           HA       CYS  16  -3.322   4.011   3.187
   98   1HB   CYS  16          1HB       CYS  16  -2.509   2.880   5.115
   99   2HB   CYS  16          2HB       CYS  16  -2.424   1.336   4.267
  100    H    GLY  17           H        GLY  17  -3.742   0.755   1.864
  101   1HA   GLY  17          1HA       GLY  17  -1.916   1.439  -0.325
  102   2HA   GLY  17          2HA       GLY  17  -2.543  -0.164   0.035
  103   1HN   NH2  18          1HN       NH2  18  -3.297  -0.229  -2.475
  104   2HN   NH2  18          2HN       NH2  18  -4.916  -0.409  -1.893
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1   2.550   9.258   7.019
    2   2H    GLY   1          2H        GLY   1   4.218   8.970   6.933
    3   3H    GLY   1          3H        GLY   1   3.445   9.018   8.438
    4   1HA   GLY   1          1HA       GLY   1   3.060   6.861   8.359
    5   2HA   GLY   1          2HA       GLY   1   2.138   7.105   6.880
    6    H    CYS   2           H        CYS   2   2.902   5.076   6.109
    7    HA   CYS   2           HA       CYS   2   5.458   5.346   4.740
    8   1HB   CYS   2          1HB       CYS   2   6.102   2.996   5.413
    9   2HB   CYS   2          2HB       CYS   2   6.224   4.200   6.690
   10    H    CYS   3           H        CYS   3   2.821   5.496   3.770
   11    HA   CYS   3           HA       CYS   3   1.873   3.026   2.769
   12   1HB   CYS   3          1HB       CYS   3   1.313   5.889   2.055
   13   2HB   CYS   3          2HB       CYS   3   0.605   4.570   1.128
   14    H    SER   4           H        SER   4   4.710   4.324   2.010
   15    HA   SER   4           HA       SER   4   4.606   3.635  -0.823
   16   1HB   SER   4          1HB       SER   4   7.117   4.470  -0.535
   17   2HB   SER   4          2HB       SER   4   5.776   5.602  -0.750
   18    HG   SER   4           HG       SER   4   6.896   6.307   1.015
   19    H    HIS   5           H        HIS   5   4.656   1.844   1.707
   20    HA   HIS   5           HA       HIS   5   6.890   0.142   0.825
   21   1HB   HIS   5          1HB       HIS   5   5.966   0.534   3.684
   22   2HB   HIS   5          2HB       HIS   5   7.284  -0.510   3.150
   23    HD1  HIS   5           HD1      HIS   5   6.360   3.134   2.764
   24    HD2  HIS   5           HD2      HIS   5   9.691   0.744   3.393
   25    HE1  HIS   5           HE1      HIS   5   8.288   4.692   2.722
   26    HE2  HIS   5           HE2      HIS   5  10.336   3.229   2.992
   27    HA   PRO   6           HA       PRO   6   3.846  -2.975   0.052
   28   1HB   PRO   6          1HB       PRO   6   6.043  -4.781   0.941
   29   2HB   PRO   6          2HB       PRO   6   5.047  -4.848  -0.518
   30   1HG   PRO   6          1HG       PRO   6   7.554  -3.965  -0.633
   31   2HG   PRO   6          2HG       PRO   6   6.274  -3.194  -1.592
   32   1HD   PRO   6          1HD       PRO   6   7.611  -2.249   0.906
   33   2HD   PRO   6          2HD       PRO   6   7.013  -1.315  -0.483
   34    H    ALA   7           H        ALA   7   5.850  -3.337   2.970
   35    HA   ALA   7           HA       ALA   7   4.082  -5.092   4.311
   36   1HB   ALA   7          1HB       ALA   7   5.452  -3.743   6.307
   37   2HB   ALA   7          2HB       ALA   7   6.542  -3.690   4.922
   38   3HB   ALA   7          3HB       ALA   7   5.949  -5.241   5.518
   39    H    CYS   8           H        CYS   8   4.441  -1.565   4.408
   40    HA   CYS   8           HA       CYS   8   2.433  -1.175   6.394
   41   1HB   CYS   8          1HB       CYS   8   3.503   0.762   4.333
   42   2HB   CYS   8          2HB       CYS   8   2.492   1.192   5.707
   43    H    ASN   9           H        ASN   9   2.351  -1.812   3.020
   44    HA   ASN   9           HA       ASN   9  -0.300  -0.701   2.644
   45   1HB   ASN   9          1HB       ASN   9   1.569  -2.243   0.847
   46   2HB   ASN   9          2HB       ASN   9  -0.070  -1.831   0.362
   47   1HD2  ASN   9          1HD2      ASN   9   0.586   0.677   2.199
   48   2HD2  ASN   9          2HD2      ASN   9   1.340   1.743   1.053
   49    H    VAL  10           H        VAL  10   1.104  -3.758   3.495
   50    HA   VAL  10           HA       VAL  10  -1.227  -5.245   2.697
   51    HB   VAL  10           HB       VAL  10   1.132  -6.123   2.627
   52   1HG1  VAL  10          1HG1      VAL  10   1.753  -5.411   4.932
   53   2HG1  VAL  10          2HG1      VAL  10   2.139  -7.088   4.544
   54   3HG1  VAL  10          3HG1      VAL  10   0.736  -6.716   5.542
   55   1HG2  VAL  10          1HG2      VAL  10  -1.239  -7.560   3.654
   56   2HG2  VAL  10          2HG2      VAL  10   0.301  -8.419   3.673
   57   3HG2  VAL  10          3HG2      VAL  10  -0.338  -7.785   2.155
   58    H    ASN  11           H        ASN  11   0.171  -4.129   5.764
   59    HA   ASN  11           HA       ASN  11  -2.009  -5.250   7.311
   60   1HB   ASN  11          1HB       ASN  11   0.143  -3.259   8.064
   61   2HB   ASN  11          2HB       ASN  11  -0.990  -4.007   9.188
   62   1HD2  ASN  11          1HD2      ASN  11   1.870  -4.367   7.371
   63   2HD2  ASN  11          2HD2      ASN  11   2.295  -5.953   7.923
   64    H    ASN  12           H        ASN  12  -1.603  -2.651   5.295
   65    HA   ASN  12           HA       ASN  12  -3.990  -1.328   6.382
   66   1HB   ASN  12          1HB       ASN  12  -1.523   0.146   5.461
   67   2HB   ASN  12          2HB       ASN  12  -3.035   0.882   5.980
   68   1HD2  ASN  12          1HD2      ASN  12   0.004   0.053   6.922
   69   2HD2  ASN  12          2HD2      ASN  12  -0.217   0.064   8.637
   70    HA   PRO  13           HA       PRO  13  -3.928  -2.118   1.805
   71   1HB   PRO  13          1HB       PRO  13  -5.912  -3.917   1.588
   72   2HB   PRO  13          2HB       PRO  13  -4.278  -4.374   2.084
   73   1HG   PRO  13          1HG       PRO  13  -6.725  -3.959   3.754
   74   2HG   PRO  13          2HG       PRO  13  -5.466  -5.199   3.896
   75   1HD   PRO  13          1HD       PRO  13  -5.597  -2.923   5.446
   76   2HD   PRO  13          2HD       PRO  13  -4.111  -3.843   5.138
   77    H    HIS  14           H        HIS  14  -6.740  -1.534   3.845
   78    HA   HIS  14           HA       HIS  14  -8.206  -0.507   1.545
   79   1HB   HIS  14          1HB       HIS  14 -10.137  -0.451   3.158
   80   2HB   HIS  14          2HB       HIS  14  -9.461  -2.045   2.854
   81    HD1  HIS  14           HD1      HIS  14  -9.388   0.683   5.494
   82    HD2  HIS  14           HD2      HIS  14  -8.747  -3.416   5.106
   83    HE1  HIS  14           HE1      HIS  14  -8.960  -0.165   7.829
   84    HE2  HIS  14           HE2      HIS  14  -8.610  -2.652   7.578
   85    H    ILE  15           H        ILE  15  -6.551   0.632   4.325
   86    HA   ILE  15           HA       ILE  15  -7.736   3.298   4.097
   87    HB   ILE  15           HB       ILE  15  -6.129   3.724   6.080
   88   1HG1  ILE  15          1HG1      ILE  15  -6.322   0.722   6.325
   89   2HG1  ILE  15          2HG1      ILE  15  -4.900   1.542   5.682
   90   1HG2  ILE  15          1HG2      ILE  15  -8.727   3.148   5.965
   91   2HG2  ILE  15          2HG2      ILE  15  -7.863   3.434   7.476
   92   3HG2  ILE  15          3HG2      ILE  15  -8.167   1.784   6.934
   93   1HD1  ILE  15          1HD1      ILE  15  -6.041   1.719   8.444
   94   2HD1  ILE  15          2HD1      ILE  15  -4.785   2.797   7.832
   95   3HD1  ILE  15          3HD1      ILE  15  -4.481   1.064   7.943
   96    H    CYS  16           H        CYS  16  -4.643   1.653   4.083
   97    HA   CYS  16           HA       CYS  16  -3.304   4.069   3.197
   98   1HB   CYS  16          1HB       CYS  16  -2.336   2.985   5.080
   99   2HB   CYS  16          2HB       CYS  16  -2.387   1.409   4.291
  100    H    GLY  17           H        GLY  17  -4.224   0.929   2.061
  101   1HA   GLY  17          1HA       GLY  17  -2.665   1.305  -0.407
  102   2HA   GLY  17          2HA       GLY  17  -3.434  -0.194   0.098
  103   1HN   NH2  18          1HN       NH2  18  -5.752   2.690   0.089
  104   2HN   NH2  18          2HN       NH2  18  -6.637   1.225  -0.170
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1   1.116   3.937   8.825
    2   2H    GLY   1          2H        GLY   1   0.163   4.927   7.834
    3   3H    GLY   1          3H        GLY   1   0.634   5.466   9.370
    4   1HA   GLY   1          1HA       GLY   1   1.918   6.483   7.538
    5   2HA   GLY   1          2HA       GLY   1   2.896   5.641   8.732
    6    H    CYS   2           H        CYS   2   4.264   5.947   6.633
    7    HA   CYS   2           HA       CYS   2   5.227   5.128   4.734
    8   1HB   CYS   2          1HB       CYS   2   5.931   2.704   5.013
    9   2HB   CYS   2          2HB       CYS   2   6.397   3.813   6.293
   10    H    CYS   3           H        CYS   3   2.847   5.566   3.849
   11    HA   CYS   3           HA       CYS   3   1.457   3.230   2.967
   12   1HB   CYS   3          1HB       CYS   3   1.168   6.163   2.417
   13   2HB   CYS   3          2HB       CYS   3   0.244   4.979   1.491
   14    H    SER   4           H        SER   4   4.302   4.547   1.908
   15    HA   SER   4           HA       SER   4   3.875   3.722  -0.867
   16   1HB   SER   4          1HB       SER   4   6.253   5.096   0.387
   17   2HB   SER   4          2HB       SER   4   6.045   4.757  -1.331
   18    HG   SER   4           HG       SER   4   3.932   6.113  -0.205
   19    H    HIS   5           H        HIS   5   4.184   1.993   1.622
   20    HA   HIS   5           HA       HIS   5   6.445   0.379   0.657
   21   1HB   HIS   5          1HB       HIS   5   5.625   0.793   3.546
   22   2HB   HIS   5          2HB       HIS   5   6.958  -0.217   2.983
   23    HD1  HIS   5           HD1      HIS   5   5.909   3.388   2.459
   24    HD2  HIS   5           HD2      HIS   5   9.311   1.123   3.185
   25    HE1  HIS   5           HE1      HIS   5   7.800   4.999   2.342
   26    HE2  HIS   5           HE2      HIS   5   9.849   3.658   3.026
   27    HA   PRO   6           HA       PRO   6   3.343  -2.693  -0.046
   28   1HB   PRO   6          1HB       PRO   6   5.677  -4.515   0.281
   29   2HB   PRO   6          2HB       PRO   6   4.481  -4.434  -1.019
   30   1HG   PRO   6          1HG       PRO   6   6.928  -3.459  -1.378
   31   2HG   PRO   6          2HG       PRO   6   5.510  -2.619  -2.034
   32   1HD   PRO   6          1HD       PRO   6   7.179  -1.947   0.348
   33   2HD   PRO   6          2HD       PRO   6   6.380  -0.869  -0.819
   34    H    ALA   7           H        ALA   7   5.746  -3.247   2.512
   35    HA   ALA   7           HA       ALA   7   4.305  -5.245   3.888
   36   1HB   ALA   7          1HB       ALA   7   6.460  -5.223   4.610
   37   2HB   ALA   7          2HB       ALA   7   5.736  -4.236   5.881
   38   3HB   ALA   7          3HB       ALA   7   6.585  -3.467   4.540
   39    H    CYS   8           H        CYS   8   4.404  -1.725   4.276
   40    HA   CYS   8           HA       CYS   8   2.623  -1.667   6.500
   41   1HB   CYS   8          1HB       CYS   8   3.178   0.550   4.520
   42   2HB   CYS   8          2HB       CYS   8   2.524   0.722   6.146
   43    H    ASN   9           H        ASN   9   2.240  -1.877   3.081
   44    HA   ASN   9           HA       ASN   9  -0.527  -1.075   3.045
   45   1HB   ASN   9          1HB       ASN   9   1.267  -2.365   0.988
   46   2HB   ASN   9          2HB       ASN   9  -0.439  -2.047   0.694
   47   1HD2  ASN   9          1HD2      ASN   9   0.324   0.378   2.643
   48   2HD2  ASN   9          2HD2      ASN   9   0.840   1.565   1.492
   49    H    VAL  10           H        VAL  10   1.136  -3.896   3.940
   50    HA   VAL  10           HA       VAL  10  -0.952  -5.765   3.260
   51    HB   VAL  10           HB       VAL  10   1.298  -6.042   5.269
   52   1HG1  VAL  10          1HG1      VAL  10   0.056  -8.407   4.005
   53   2HG1  VAL  10          2HG1      VAL  10  -0.907  -7.566   5.219
   54   3HG1  VAL  10          3HG1      VAL  10   0.688  -8.194   5.638
   55   1HG2  VAL  10          1HG2      VAL  10   1.796  -5.706   2.733
   56   2HG2  VAL  10          2HG2      VAL  10   1.259  -7.381   2.601
   57   3HG2  VAL  10          3HG2      VAL  10   2.628  -6.972   3.636
   58    H    ASN  11           H        ASN  11   0.220  -4.242   6.256
   59    HA   ASN  11           HA       ASN  11  -1.995  -5.108   7.838
   60   1HB   ASN  11          1HB       ASN  11  -0.002  -2.876   8.319
   61   2HB   ASN  11          2HB       ASN  11  -1.162  -3.458   9.506
   62   1HD2  ASN  11          1HD2      ASN  11  -0.149  -6.026   7.650
   63   2HD2  ASN  11          2HD2      ASN  11   1.095  -6.632   8.689
   64    H    ASN  12           H        ASN  12  -1.309  -2.319   5.876
   65    HA   ASN  12           HA       ASN  12  -3.987  -1.240   6.460
   66   1HB   ASN  12          1HB       ASN  12  -1.416   0.246   5.971
   67   2HB   ASN  12          2HB       ASN  12  -3.004   1.009   5.980
   68   1HD2  ASN  12          1HD2      ASN  12  -0.356   0.463   7.800
   69   2HD2  ASN  12          2HD2      ASN  12  -1.054   0.581   9.376
   70    HA   PRO  13           HA       PRO  13  -3.506  -2.359   2.010
   71   1HB   PRO  13          1HB       PRO  13  -5.924  -3.576   1.708
   72   2HB   PRO  13          2HB       PRO  13  -4.470  -4.397   2.279
   73   1HG   PRO  13          1HG       PRO  13  -6.796  -3.363   3.831
   74   2HG   PRO  13          2HG       PRO  13  -5.830  -4.825   4.088
   75   1HD   PRO  13          1HD       PRO  13  -5.534  -2.536   5.552
   76   2HD   PRO  13          2HD       PRO  13  -4.230  -3.708   5.284
   77    H    HIS  14           H        HIS  14  -6.813  -1.532   3.064
   78    HA   HIS  14           HA       HIS  14  -7.055   0.068   0.643
   79   1HB   HIS  14          1HB       HIS  14  -9.469   0.044   1.103
   80   2HB   HIS  14          2HB       HIS  14  -8.793  -1.580   1.059
   81    HD1  HIS  14           HD1      HIS  14  -9.797   1.034   3.646
   82    HD2  HIS  14           HD2      HIS  14  -9.460  -3.097   3.207
   83    HE1  HIS  14           HE1      HIS  14 -10.684   0.046   5.787
   84    HE2  HIS  14           HE2      HIS  14 -10.491  -2.456   5.502
   85    H    ILE  15           H        ILE  15  -6.232   0.584   3.772
   86    HA   ILE  15           HA       ILE  15  -7.435   3.243   3.935
   87    HB   ILE  15           HB       ILE  15  -6.067   3.184   6.171
   88   1HG1  ILE  15          1HG1      ILE  15  -5.102   0.880   5.451
   89   2HG1  ILE  15          2HG1      ILE  15  -5.574   1.130   7.125
   90   1HG2  ILE  15          1HG2      ILE  15  -8.547   1.507   5.998
   91   2HG2  ILE  15          2HG2      ILE  15  -8.556   3.261   5.814
   92   3HG2  ILE  15          3HG2      ILE  15  -8.013   2.536   7.326
   93   1HD1  ILE  15          1HD1      ILE  15  -7.655   0.027   5.354
   94   2HD1  ILE  15          2HD1      ILE  15  -7.237  -0.382   7.019
   95   3HD1  ILE  15          3HD1      ILE  15  -6.272  -1.019   5.686
   96    H    CYS  16           H        CYS  16  -4.522   1.601   3.292
   97    HA   CYS  16           HA       CYS  16  -3.060   4.139   3.187
   98   1HB   CYS  16          1HB       CYS  16  -2.590   3.005   5.282
   99   2HB   CYS  16          2HB       CYS  16  -2.178   1.521   4.428
  100    H    GLY  17           H        GLY  17  -3.765   1.136   1.681
  101   1HA   GLY  17          1HA       GLY  17  -1.508   1.479  -0.181
  102   2HA   GLY  17          2HA       GLY  17  -2.441   0.002   0.015
  103   1HN   NH2  18          1HN       NH2  18  -3.280   0.472  -2.853
  104   2HN   NH2  18          2HN       NH2  18  -4.633   0.099  -1.840
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  -0.191   5.729   8.151
    2   2H    GLY   1          2H        GLY   1   0.401   4.195   8.570
    3   3H    GLY   1          3H        GLY   1   0.066   4.562   6.954
    4   1HA   GLY   1          1HA       GLY   1   1.785   6.462   7.341
    5   2HA   GLY   1          2HA       GLY   1   2.333   5.380   8.614
    6    H    CYS   2           H        CYS   2   3.997   6.021   6.547
    7    HA   CYS   2           HA       CYS   2   5.170   5.276   4.729
    8   1HB   CYS   2          1HB       CYS   2   6.035   2.926   5.077
    9   2HB   CYS   2          2HB       CYS   2   6.276   4.042   6.412
   10    H    CYS   3           H        CYS   3   2.697   5.478   3.773
   11    HA   CYS   3           HA       CYS   3   1.605   3.040   2.818
   12   1HB   CYS   3          1HB       CYS   3   1.093   5.915   2.103
   13   2HB   CYS   3          2HB       CYS   3   0.237   4.582   1.329
   14    H    SER   4           H        SER   4   4.387   4.511   1.863
   15    HA   SER   4           HA       SER   4   4.124   3.618  -0.907
   16   1HB   SER   4          1HB       SER   4   6.397   4.699  -1.180
   17   2HB   SER   4          2HB       SER   4   5.062   5.796  -0.829
   18    HG   SER   4           HG       SER   4   5.783   6.050   1.229
   19    H    HIS   5           H        HIS   5   4.357   1.938   1.572
   20    HA   HIS   5           HA       HIS   5   6.758   0.408   0.810
   21   1HB   HIS   5          1HB       HIS   5   5.666   0.799   3.614
   22   2HB   HIS   5          2HB       HIS   5   7.074  -0.170   3.182
   23    HD1  HIS   5           HD1      HIS   5   6.101   3.358   2.240
   24    HD2  HIS   5           HD2      HIS   5   9.231   1.293   4.012
   25    HE1  HIS   5           HE1      HIS   5   7.887   5.044   2.542
   26    HE2  HIS   5           HE2      HIS   5   9.703   3.847   3.864
   27    HA   PRO   6           HA       PRO   6   3.921  -2.878  -0.051
   28   1HB   PRO   6          1HB       PRO   6   6.209  -4.570   0.833
   29   2HB   PRO   6          2HB       PRO   6   5.247  -4.661  -0.647
   30   1HG   PRO   6          1HG       PRO   6   7.698  -3.631  -0.695
   31   2HG   PRO   6          2HG       PRO   6   6.393  -2.909  -1.655
   32   1HD   PRO   6          1HD       PRO   6   7.623  -1.960   0.895
   33   2HD   PRO   6          2HD       PRO   6   7.011  -1.020  -0.486
   34    H    ALA   7           H        ALA   7   5.998  -3.411   2.793
   35    HA   ALA   7           HA       ALA   7   4.317  -5.209   4.114
   36   1HB   ALA   7          1HB       ALA   7   6.772  -3.915   4.659
   37   2HB   ALA   7          2HB       ALA   7   6.063  -5.312   5.470
   38   3HB   ALA   7          3HB       ALA   7   5.724  -3.686   6.059
   39    H    CYS   8           H        CYS   8   4.422  -1.679   4.274
   40    HA   CYS   8           HA       CYS   8   2.570  -1.461   6.426
   41   1HB   CYS   8          1HB       CYS   8   3.194   0.615   4.318
   42   2HB   CYS   8          2HB       CYS   8   2.510   0.900   5.918
   43    H    ASN   9           H        ASN   9   2.266  -1.784   2.967
   44    HA   ASN   9           HA       ASN   9  -0.497  -0.993   2.873
   45   1HB   ASN   9          1HB       ASN   9   1.332  -2.339   0.889
   46   2HB   ASN   9          2HB       ASN   9  -0.380  -2.093   0.561
   47   1HD2  ASN   9          1HD2      ASN   9   0.547   0.409   2.468
   48   2HD2  ASN   9          2HD2      ASN   9   0.940   1.568   1.241
   49    H    VAL  10           H        VAL  10   1.182  -3.883   3.681
   50    HA   VAL  10           HA       VAL  10  -0.877  -5.736   3.012
   51    HB   VAL  10           HB       VAL  10   1.331  -6.006   5.066
   52   1HG1  VAL  10          1HG1      VAL  10  -0.769  -7.580   5.059
   53   2HG1  VAL  10          2HG1      VAL  10   0.852  -8.247   5.258
   54   3HG1  VAL  10          3HG1      VAL  10   0.056  -8.323   3.686
   55   1HG2  VAL  10          1HG2      VAL  10   2.515  -7.264   3.312
   56   2HG2  VAL  10          2HG2      VAL  10   2.236  -5.584   2.854
   57   3HG2  VAL  10          3HG2      VAL  10   1.229  -6.862   2.172
   58    H    ASN  11           H        ASN  11   0.128  -4.235   6.085
   59    HA   ASN  11           HA       ASN  11  -2.117  -5.265   7.538
   60   1HB   ASN  11          1HB       ASN  11  -0.175  -3.045   8.223
   61   2HB   ASN  11          2HB       ASN  11  -1.318  -3.782   9.345
   62   1HD2  ASN  11          1HD2      ASN  11   1.700  -4.043   7.785
   63   2HD2  ASN  11          2HD2      ASN  11   2.200  -5.532   8.512
   64    H    ASN  12           H        ASN  12  -1.393  -2.326   5.806
   65    HA   ASN  12           HA       ASN  12  -4.083  -1.299   6.429
   66   1HB   ASN  12          1HB       ASN  12  -1.519   0.217   5.985
   67   2HB   ASN  12          2HB       ASN  12  -3.108   0.979   6.019
   68   1HD2  ASN  12          1HD2      ASN  12  -0.467   0.367   7.812
   69   2HD2  ASN  12          2HD2      ASN  12  -1.160   0.400   9.396
   70    HA   PRO  13           HA       PRO  13  -3.706  -2.096   1.917
   71   1HB   PRO  13          1HB       PRO  13  -6.177  -3.574   2.025
   72   2HB   PRO  13          2HB       PRO  13  -4.548  -4.174   1.711
   73   1HG   PRO  13          1HG       PRO  13  -5.980  -4.774   3.968
   74   2HG   PRO  13          2HG       PRO  13  -4.208  -4.772   3.894
   75   1HD   PRO  13          1HD       PRO  13  -6.068  -2.675   4.954
   76   2HD   PRO  13          2HD       PRO  13  -4.521  -3.253   5.616
   77    H    HIS  14           H        HIS  14  -6.809  -1.423   3.522
   78    HA   HIS  14           HA       HIS  14  -7.731  -0.098   1.095
   79   1HB   HIS  14          1HB       HIS  14  -9.931   0.010   2.343
   80   2HB   HIS  14          2HB       HIS  14  -9.340  -1.602   1.965
   81    HD1  HIS  14           HD1      HIS  14  -8.168  -2.888   4.045
   82    HD2  HIS  14           HD2      HIS  14 -10.513   0.425   4.965
   83    HE1  HIS  14           HE1      HIS  14  -8.541  -2.989   6.534
   84    HE2  HIS  14           HE2      HIS  14 -10.136  -1.095   7.030
   85    H    ILE  15           H        ILE  15  -6.435   0.700   4.114
   86    HA   ILE  15           HA       ILE  15  -7.505   3.419   4.048
   87    HB   ILE  15           HB       ILE  15  -6.091   3.606   6.182
   88   1HG1  ILE  15          1HG1      ILE  15  -4.986   1.304   5.632
   89   2HG1  ILE  15          2HG1      ILE  15  -5.341   1.724   7.301
   90   1HG2  ILE  15          1HG2      ILE  15  -8.234   3.699   6.802
   91   2HG2  ILE  15          2HG2      ILE  15  -7.991   2.029   7.317
   92   3HG2  ILE  15          3HG2      ILE  15  -8.696   2.369   5.737
   93   1HD1  ILE  15          1HD1      ILE  15  -6.079  -0.581   5.965
   94   2HD1  ILE  15          2HD1      ILE  15  -7.564   0.367   6.061
   95   3HD1  ILE  15          3HD1      ILE  15  -6.671  -0.029   7.532
   96    H    CYS  16           H        CYS  16  -4.645   1.572   3.550
   97    HA   CYS  16           HA       CYS  16  -3.093   4.027   3.112
   98   1HB   CYS  16          1HB       CYS  16  -2.574   2.952   5.230
   99   2HB   CYS  16          2HB       CYS  16  -2.287   1.415   4.416
  100    H    GLY  17           H        GLY  17  -4.234   1.269   1.608
  101   1HA   GLY  17          1HA       GLY  17  -1.909   1.062  -0.180
  102   2HA   GLY  17          2HA       GLY  17  -3.228  -0.097  -0.081
  103   1HN   NH2  18          1HN       NH2  18  -5.393   2.306  -0.540
  104   2HN   NH2  18          2HN       NH2  18  -5.485   1.041  -1.713
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1   3.792   8.694   7.806
    2   2H    GLY   1          2H        GLY   1   3.502   7.717   9.159
    3   3H    GLY   1          3H        GLY   1   2.286   8.747   8.583
    4   1HA   GLY   1          1HA       GLY   1   2.165   6.256   8.025
    5   2HA   GLY   1          2HA       GLY   1   1.802   7.444   6.780
    6    H    CYS   2           H        CYS   2   2.708   4.733   6.395
    7    HA   CYS   2           HA       CYS   2   5.158   5.346   4.887
    8   1HB   CYS   2          1HB       CYS   2   5.945   2.992   5.431
    9   2HB   CYS   2          2HB       CYS   2   6.016   4.155   6.749
   10    H    CYS   3           H        CYS   3   2.682   5.464   3.761
   11    HA   CYS   3           HA       CYS   3   1.808   2.983   2.691
   12   1HB   CYS   3          1HB       CYS   3   1.213   5.839   1.949
   13   2HB   CYS   3          2HB       CYS   3   0.476   4.465   1.127
   14    H    SER   4           H        SER   4   4.636   4.363   2.072
   15    HA   SER   4           HA       SER   4   4.638   3.716  -0.781
   16   1HB   SER   4          1HB       SER   4   7.122   4.581  -0.424
   17   2HB   SER   4          2HB       SER   4   5.780   5.703  -0.663
   18    HG   SER   4           HG       SER   4   7.266   6.076   1.196
   19    H    HIS   5           H        HIS   5   4.568   1.867   1.660
   20    HA   HIS   5           HA       HIS   5   6.881   0.224   0.885
   21   1HB   HIS   5          1HB       HIS   5   5.829   0.538   3.709
   22   2HB   HIS   5          2HB       HIS   5   7.197  -0.458   3.210
   23    HD1  HIS   5           HD1      HIS   5   6.180   3.173   2.946
   24    HD2  HIS   5           HD2      HIS   5   9.574   0.849   3.487
   25    HE1  HIS   5           HE1      HIS   5   8.072   4.783   2.973
   26    HE2  HIS   5           HE2      HIS   5  10.150   3.369   3.233
   27    HA   PRO   6           HA       PRO   6   3.894  -2.909  -0.012
   28   1HB   PRO   6          1HB       PRO   6   6.007  -4.795   0.886
   29   2HB   PRO   6          2HB       PRO   6   5.127  -4.734  -0.644
   30   1HG   PRO   6          1HG       PRO   6   7.663  -3.927  -0.496
   31   2HG   PRO   6          2HG       PRO   6   6.489  -3.077  -1.520
   32   1HD   PRO   6          1HD       PRO   6   7.610  -2.298   1.139
   33   2HD   PRO   6          2HD       PRO   6   7.193  -1.280  -0.259
   34    H    ALA   7           H        ALA   7   5.791  -3.332   2.962
   35    HA   ALA   7           HA       ALA   7   3.954  -5.137   4.167
   36   1HB   ALA   7          1HB       ALA   7   5.999  -5.346   5.155
   37   2HB   ALA   7          2HB       ALA   7   5.228  -4.263   6.314
   38   3HB   ALA   7          3HB       ALA   7   6.331  -3.614   5.101
   39    H    CYS   8           H        CYS   8   4.324  -1.630   4.295
   40    HA   CYS   8           HA       CYS   8   2.343  -1.253   6.326
   41   1HB   CYS   8          1HB       CYS   8   3.406   0.689   4.271
   42   2HB   CYS   8          2HB       CYS   8   2.409   1.115   5.656
   43    H    ASN   9           H        ASN   9   2.253  -1.816   2.927
   44    HA   ASN   9           HA       ASN   9  -0.418  -0.749   2.581
   45   1HB   ASN   9          1HB       ASN   9   1.469  -2.245   0.777
   46   2HB   ASN   9          2HB       ASN   9  -0.199  -1.936   0.312
   47   1HD2  ASN   9          1HD2      ASN   9   0.484   0.614   2.161
   48   2HD2  ASN   9          2HD2      ASN   9   1.096   1.710   0.966
   49    H    VAL  10           H        VAL  10   1.056  -3.783   3.389
   50    HA   VAL  10           HA       VAL  10  -1.369  -5.259   2.834
   51    HB   VAL  10           HB       VAL  10   0.975  -6.167   2.541
   52   1HG1  VAL  10          1HG1      VAL  10   1.588  -5.438   4.970
   53   2HG1  VAL  10          2HG1      VAL  10   2.280  -6.895   4.256
   54   3HG1  VAL  10          3HG1      VAL  10   0.927  -7.021   5.381
   55   1HG2  VAL  10          1HG2      VAL  10  -0.476  -8.112   4.219
   56   2HG2  VAL  10          2HG2      VAL  10   0.151  -8.269   2.578
   57   3HG2  VAL  10          3HG2      VAL  10  -1.362  -7.408   2.865
   58    H    ASN  11           H        ASN  11   0.412  -4.068   5.653
   59    HA   ASN  11           HA       ASN  11  -1.442  -5.052   7.599
   60   1HB   ASN  11          1HB       ASN  11   0.611  -2.827   7.736
   61   2HB   ASN  11          2HB       ASN  11  -0.354  -3.355   9.108
   62   1HD2  ASN  11          1HD2      ASN  11   0.362  -5.924   7.086
   63   2HD2  ASN  11          2HD2      ASN  11   1.703  -6.573   7.967
   64    H    ASN  12           H        ASN  12  -1.482  -2.552   5.330
   65    HA   ASN  12           HA       ASN  12  -3.898  -1.411   6.541
   66   1HB   ASN  12          1HB       ASN  12  -1.522   0.156   5.584
   67   2HB   ASN  12          2HB       ASN  12  -3.115   0.868   5.827
   68   1HD2  ASN  12          1HD2      ASN  12  -0.187   0.308   7.229
   69   2HD2  ASN  12          2HD2      ASN  12  -0.628   0.496   8.888
   70    HA   PRO  13           HA       PRO  13  -4.310  -2.790   2.156
   71   1HB   PRO  13          1HB       PRO  13  -6.932  -3.600   2.453
   72   2HB   PRO  13          2HB       PRO  13  -5.517  -4.628   2.691
   73   1HG   PRO  13          1HG       PRO  13  -7.184  -3.205   4.714
   74   2HG   PRO  13          2HG       PRO  13  -6.454  -4.819   4.795
   75   1HD   PRO  13          1HD       PRO  13  -5.392  -2.715   6.084
   76   2HD   PRO  13          2HD       PRO  13  -4.377  -3.985   5.372
   77    H    HIS  14           H        HIS  14  -7.344  -1.578   3.560
   78    HA   HIS  14           HA       HIS  14  -7.710  -0.044   1.120
   79   1HB   HIS  14          1HB       HIS  14 -10.057   0.198   1.924
   80   2HB   HIS  14          2HB       HIS  14  -9.539  -1.473   1.742
   81    HD1  HIS  14           HD1      HIS  14  -9.923   1.108   4.529
   82    HD2  HIS  14           HD2      HIS  14 -10.040  -3.014   3.925
   83    HE1  HIS  14           HE1      HIS  14 -10.584   0.112   6.745
   84    HE2  HIS  14           HE2      HIS  14 -10.773  -2.368   6.328
   85    H    ILE  15           H        ILE  15  -6.445   0.585   4.059
   86    HA   ILE  15           HA       ILE  15  -7.471   3.314   4.223
   87    HB   ILE  15           HB       ILE  15  -5.865   3.304   6.274
   88   1HG1  ILE  15          1HG1      ILE  15  -5.044   0.935   5.536
   89   2HG1  ILE  15          2HG1      ILE  15  -5.264   1.293   7.243
   90   1HG2  ILE  15          1HG2      ILE  15  -7.716   2.252   7.647
   91   2HG2  ILE  15          2HG2      ILE  15  -8.533   1.959   6.111
   92   3HG2  ILE  15          3HG2      ILE  15  -8.155   3.610   6.609
   93   1HD1  ILE  15          1HD1      ILE  15  -6.767  -0.317   7.462
   94   2HD1  ILE  15          2HD1      ILE  15  -6.318  -0.846   5.842
   95   3HD1  ILE  15          3HD1      ILE  15  -7.684   0.248   6.065
   96    H    CYS  16           H        CYS  16  -4.705   1.469   3.383
   97    HA   CYS  16           HA       CYS  16  -3.169   3.929   2.949
   98   1HB   CYS  16          1HB       CYS  16  -2.475   2.965   5.024
   99   2HB   CYS  16          2HB       CYS  16  -2.338   1.361   4.310
  100    H    GLY  17           H        GLY  17  -3.880   0.681   1.864
  101   1HA   GLY  17          1HA       GLY  17  -1.936   0.999  -0.327
  102   2HA   GLY  17          2HA       GLY  17  -2.635  -0.528   0.196
  103   1HN   NH2  18          1HN       NH2  18  -4.673   2.403  -0.488
  104   2HN   NH2  18          2HN       NH2  18  -5.818   1.140  -0.784
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1   0.249   5.965   7.892
    2   2H    GLY   1          2H        GLY   1   1.032   5.539   9.333
    3   3H    GLY   1          3H        GLY   1   0.902   4.415   8.074
    4   1HA   GLY   1          1HA       GLY   1   2.165   6.842   7.247
    5   2HA   GLY   1          2HA       GLY   1   3.029   6.035   8.550
    6    H    CYS   2           H        CYS   2   4.435   6.159   6.410
    7    HA   CYS   2           HA       CYS   2   5.414   5.138   4.626
    8   1HB   CYS   2          1HB       CYS   2   6.110   2.796   5.099
    9   2HB   CYS   2          2HB       CYS   2   6.426   3.911   6.420
   10    H    CYS   3           H        CYS   3   2.823   5.523   3.897
   11    HA   CYS   3           HA       CYS   3   1.601   3.095   2.991
   12   1HB   CYS   3          1HB       CYS   3   1.054   5.999   2.415
   13   2HB   CYS   3          2HB       CYS   3   0.157   4.698   1.634
   14    H    SER   4           H        SER   4   4.342   4.529   2.018
   15    HA   SER   4           HA       SER   4   3.999   3.861  -0.805
   16   1HB   SER   4          1HB       SER   4   6.407   4.829  -0.890
   17   2HB   SER   4          2HB       SER   4   5.045   5.938  -0.706
   18    HG   SER   4           HG       SER   4   5.867   6.534   1.129
   19    H    HIS   5           H        HIS   5   4.298   2.045   1.644
   20    HA   HIS   5           HA       HIS   5   6.553   0.459   0.617
   21   1HB   HIS   5          1HB       HIS   5   5.762   0.821   3.522
   22   2HB   HIS   5          2HB       HIS   5   7.055  -0.228   2.938
   23    HD1  HIS   5           HD1      HIS   5   6.150   3.410   2.398
   24    HD2  HIS   5           HD2      HIS   5   9.453   1.034   3.219
   25    HE1  HIS   5           HE1      HIS   5   8.084   4.957   2.342
   26    HE2  HIS   5           HE2      HIS   5  10.116   3.490   2.700
   27    HA   PRO   6           HA       PRO   6   3.535  -2.634  -0.118
   28   1HB   PRO   6          1HB       PRO   6   5.253  -4.825   0.100
   29   2HB   PRO   6          2HB       PRO   6   4.945  -3.888  -1.364
   30   1HG   PRO   6          1HG       PRO   6   7.210  -3.709   0.561
   31   2HG   PRO   6          2HG       PRO   6   7.205  -3.482  -1.197
   32   1HD   PRO   6          1HD       PRO   6   7.344  -1.402   0.496
   33   2HD   PRO   6          2HD       PRO   6   6.456  -1.298  -1.041
   34    H    ALA   7           H        ALA   7   5.788  -3.255   2.556
   35    HA   ALA   7           HA       ALA   7   4.206  -5.218   3.832
   36   1HB   ALA   7          1HB       ALA   7   5.628  -4.179   5.883
   37   2HB   ALA   7          2HB       ALA   7   6.593  -3.650   4.504
   38   3HB   ALA   7          3HB       ALA   7   6.255  -5.365   4.738
   39    H    CYS   8           H        CYS   8   4.448  -1.713   4.253
   40    HA   CYS   8           HA       CYS   8   2.636  -1.542   6.430
   41   1HB   CYS   8          1HB       CYS   8   3.273   0.576   4.364
   42   2HB   CYS   8          2HB       CYS   8   2.550   0.841   5.947
   43    H    ASN   9           H        ASN   9   2.239  -1.968   3.041
   44    HA   ASN   9           HA       ASN   9  -0.513  -1.063   3.002
   45   1HB   ASN   9          1HB       ASN   9   1.303  -2.282   0.929
   46   2HB   ASN   9          2HB       ASN   9  -0.407  -1.999   0.620
   47   1HD2  ASN   9          1HD2      ASN   9   0.393   0.374   2.674
   48   2HD2  ASN   9          2HD2      ASN   9   0.846   1.610   1.545
   49    H    VAL  10           H        VAL  10   1.021  -3.847   4.020
   50    HA   VAL  10           HA       VAL  10  -1.036  -5.703   3.174
   51    HB   VAL  10           HB       VAL  10   1.173  -6.097   5.210
   52   1HG1  VAL  10          1HG1      VAL  10   0.048  -7.964   5.692
   53   2HG1  VAL  10          2HG1      VAL  10   0.545  -8.541   4.101
   54   3HG1  VAL  10          3HG1      VAL  10  -1.029  -7.769   4.307
   55   1HG2  VAL  10          1HG2      VAL  10   1.957  -5.553   2.898
   56   2HG2  VAL  10          2HG2      VAL  10   1.124  -7.005   2.340
   57   3HG2  VAL  10          3HG2      VAL  10   2.457  -7.139   3.488
   58    H    ASN  11           H        ASN  11   0.113  -4.402   6.300
   59    HA   ASN  11           HA       ASN  11  -2.235  -5.305   7.675
   60   1HB   ASN  11          1HB       ASN  11  -1.306  -3.959   9.585
   61   2HB   ASN  11          2HB       ASN  11  -0.220  -5.189   8.949
   62   1HD2  ASN  11          1HD2      ASN  11   1.669  -4.591   8.009
   63   2HD2  ASN  11          2HD2      ASN  11   2.255  -2.962   8.005
   64    H    ASN  12           H        ASN  12  -1.423  -2.511   5.880
   65    HA   ASN  12           HA       ASN  12  -4.015  -1.326   6.603
   66   1HB   ASN  12          1HB       ASN  12  -1.421   0.110   6.125
   67   2HB   ASN  12          2HB       ASN  12  -2.985   0.913   6.022
   68   1HD2  ASN  12          1HD2      ASN  12  -0.467   0.542   7.968
   69   2HD2  ASN  12          2HD2      ASN  12  -1.230   0.647   9.514
   70    HA   PRO  13           HA       PRO  13  -3.695  -2.498   2.196
   71   1HB   PRO  13          1HB       PRO  13  -6.402  -3.546   2.452
   72   2HB   PRO  13          2HB       PRO  13  -4.902  -4.392   2.058
   73   1HG   PRO  13          1HG       PRO  13  -6.196  -4.733   4.412
   74   2HG   PRO  13          2HG       PRO  13  -4.435  -4.866   4.258
   75   1HD   PRO  13          1HD       PRO  13  -6.081  -2.580   5.278
   76   2HD   PRO  13          2HD       PRO  13  -4.559  -3.245   5.910
   77    H    HIS  14           H        HIS  14  -6.950  -1.481   3.314
   78    HA   HIS  14           HA       HIS  14  -7.254  -0.159   0.738
   79   1HB   HIS  14          1HB       HIS  14  -9.580  -0.172   1.089
   80   2HB   HIS  14          2HB       HIS  14  -9.010  -1.713   1.713
   81    HD1  HIS  14           HD1      HIS  14  -8.698  -1.693   4.479
   82    HD2  HIS  14           HD2      HIS  14 -11.199   1.163   2.774
   83    HE1  HIS  14           HE1      HIS  14 -10.115  -0.820   6.363
   84    HE2  HIS  14           HE2      HIS  14 -11.537   0.995   5.336
   85    H    ILE  15           H        ILE  15  -6.387   0.733   3.834
   86    HA   ILE  15           HA       ILE  15  -7.421   3.446   3.562
   87    HB   ILE  15           HB       ILE  15  -6.331   3.734   5.830
   88   1HG1  ILE  15          1HG1      ILE  15  -4.976   1.533   5.494
   89   2HG1  ILE  15          2HG1      ILE  15  -5.569   1.954   7.094
   90   1HG2  ILE  15          1HG2      ILE  15  -8.763   2.333   5.118
   91   2HG2  ILE  15          2HG2      ILE  15  -8.505   3.642   6.273
   92   3HG2  ILE  15          3HG2      ILE  15  -8.211   1.969   6.752
   93   1HD1  ILE  15          1HD1      ILE  15  -6.737   0.082   7.223
   94   2HD1  ILE  15          2HD1      ILE  15  -5.944  -0.438   5.734
   95   3HD1  ILE  15          3HD1      ILE  15  -7.510   0.374   5.665
   96    H    CYS  16           H        CYS  16  -4.523   1.576   3.559
   97    HA   CYS  16           HA       CYS  16  -2.931   4.008   3.189
   98   1HB   CYS  16          1HB       CYS  16  -2.596   2.856   5.317
   99   2HB   CYS  16          2HB       CYS  16  -2.210   1.363   4.469
  100    H    GLY  17           H        GLY  17  -3.780   0.996   1.763
  101   1HA   GLY  17          1HA       GLY  17  -1.616   1.373  -0.213
  102   2HA   GLY  17          2HA       GLY  17  -2.244  -0.210   0.220
  103   1HN   NH2  18          1HN       NH2  18  -5.105   2.074  -0.577
  104   2HN   NH2  18          2HN       NH2  18  -5.270   0.387  -0.237
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1   3.669   8.775   7.855
    2   2H    GLY   1          2H        GLY   1   2.016   8.762   8.222
    3   3H    GLY   1          3H        GLY   1   2.525   8.890   6.610
    4   1HA   GLY   1          1HA       GLY   1   2.954   6.540   8.373
    5   2HA   GLY   1          2HA       GLY   1   1.727   6.655   7.116
    6    H    CYS   2           H        CYS   2   3.106   4.592   6.622
    7    HA   CYS   2           HA       CYS   2   5.236   5.409   4.755
    8   1HB   CYS   2          1HB       CYS   2   6.115   3.029   5.120
    9   2HB   CYS   2          2HB       CYS   2   6.345   4.180   6.431
   10    H    CYS   3           H        CYS   3   2.746   5.506   3.769
   11    HA   CYS   3           HA       CYS   3   1.691   3.095   2.783
   12   1HB   CYS   3          1HB       CYS   3   1.289   5.970   2.072
   13   2HB   CYS   3          2HB       CYS   3   0.572   4.709   1.070
   14    H    SER   4           H        SER   4   4.583   4.427   1.901
   15    HA   SER   4           HA       SER   4   4.386   3.468  -0.852
   16   1HB   SER   4          1HB       SER   4   6.748   4.464  -0.994
   17   2HB   SER   4          2HB       SER   4   5.387   5.579  -0.866
   18    HG   SER   4           HG       SER   4   5.889   5.985   1.229
   19    H    HIS   5           H        HIS   5   4.558   1.803   1.678
   20    HA   HIS   5           HA       HIS   5   6.920   0.226   0.900
   21   1HB   HIS   5          1HB       HIS   5   5.898   0.623   3.728
   22   2HB   HIS   5          2HB       HIS   5   7.303  -0.332   3.258
   23    HD1  HIS   5           HD1      HIS   5   6.170   3.219   2.610
   24    HD2  HIS   5           HD2      HIS   5   9.572   1.111   3.699
   25    HE1  HIS   5           HE1      HIS   5   7.990   4.906   2.654
   26    HE2  HIS   5           HE2      HIS   5  10.086   3.617   3.222
   27    HA   PRO   6           HA       PRO   6   4.153  -3.089   0.099
   28   1HB   PRO   6          1HB       PRO   6   6.300  -4.798   1.258
   29   2HB   PRO   6          2HB       PRO   6   5.471  -4.929  -0.297
   30   1HG   PRO   6          1HG       PRO   6   7.948  -3.971  -0.170
   31   2HG   PRO   6          2HG       PRO   6   6.753  -3.265  -1.276
   32   1HD   PRO   6          1HD       PRO   6   7.785  -2.220   1.324
   33   2HD   PRO   6          2HD       PRO   6   7.328  -1.339  -0.151
   34    H    ALA   7           H        ALA   7   5.931  -3.501   3.159
   35    HA   ALA   7           HA       ALA   7   3.967  -5.169   4.336
   36   1HB   ALA   7          1HB       ALA   7   6.488  -4.729   4.970
   37   2HB   ALA   7          2HB       ALA   7   5.319  -5.233   6.190
   38   3HB   ALA   7          3HB       ALA   7   5.774  -3.535   6.054
   39    H    CYS   8           H        CYS   8   4.493  -1.686   4.393
   40    HA   CYS   8           HA       CYS   8   2.549  -1.141   6.399
   41   1HB   CYS   8          1HB       CYS   8   3.563   0.679   4.210
   42   2HB   CYS   8          2HB       CYS   8   2.696   1.179   5.658
   43    H    ASN   9           H        ASN   9   2.412  -1.659   2.949
   44    HA   ASN   9           HA       ASN   9  -0.266  -0.632   2.670
   45   1HB   ASN   9          1HB       ASN   9   1.603  -2.117   0.837
   46   2HB   ASN   9          2HB       ASN   9  -0.076  -1.835   0.392
   47   1HD2  ASN   9          1HD2      ASN   9   0.511   0.725   2.204
   48   2HD2  ASN   9          2HD2      ASN   9   1.131   1.829   1.017
   49    H    VAL  10           H        VAL  10   1.195  -3.764   3.249
   50    HA   VAL  10           HA       VAL  10  -1.186  -5.200   2.587
   51    HB   VAL  10           HB       VAL  10   1.126  -6.125   2.410
   52   1HG1  VAL  10          1HG1      VAL  10   1.014  -6.855   5.287
   53   2HG1  VAL  10          2HG1      VAL  10   1.705  -5.310   4.795
   54   3HG1  VAL  10          3HG1      VAL  10   2.391  -6.818   4.186
   55   1HG2  VAL  10          1HG2      VAL  10   0.327  -8.235   2.472
   56   2HG2  VAL  10          2HG2      VAL  10  -1.202  -7.400   2.745
   57   3HG2  VAL  10          3HG2      VAL  10  -0.301  -8.062   4.109
   58    H    ASN  11           H        ASN  11   0.293  -4.064   5.596
   59    HA   ASN  11           HA       ASN  11  -1.853  -5.186   7.201
   60   1HB   ASN  11          1HB       ASN  11   0.437  -3.336   7.893
   61   2HB   ASN  11          2HB       ASN  11  -0.732  -3.951   9.060
   62   1HD2  ASN  11          1HD2      ASN  11   2.008  -4.648   7.127
   63   2HD2  ASN  11          2HD2      ASN  11   2.323  -6.234   7.751
   64    H    ASN  12           H        ASN  12  -1.659  -2.698   5.112
   65    HA   ASN  12           HA       ASN  12  -3.898  -1.304   6.386
   66   1HB   ASN  12          1HB       ASN  12  -1.401   0.067   5.417
   67   2HB   ASN  12          2HB       ASN  12  -2.930   0.904   5.659
   68   1HD2  ASN  12          1HD2      ASN  12  -0.057   0.108   7.041
   69   2HD2  ASN  12          2HD2      ASN  12  -0.471   0.340   8.704
   70    HA   PRO  13           HA       PRO  13  -4.233  -2.364   1.898
   71   1HB   PRO  13          1HB       PRO  13  -6.737  -3.708   2.531
   72   2HB   PRO  13          2HB       PRO  13  -5.252  -4.371   1.843
   73   1HG   PRO  13          1HG       PRO  13  -6.102  -4.962   4.351
   74   2HG   PRO  13          2HG       PRO  13  -4.387  -4.917   3.901
   75   1HD   PRO  13          1HD       PRO  13  -6.024  -2.863   5.337
   76   2HD   PRO  13          2HD       PRO  13  -4.359  -3.401   5.653
   77    H    HIS  14           H        HIS  14  -7.085  -1.497   3.845
   78    HA   HIS  14           HA       HIS  14  -8.232  -0.217   1.489
   79   1HB   HIS  14          1HB       HIS  14 -10.281  -0.006   2.940
   80   2HB   HIS  14          2HB       HIS  14  -9.763  -1.654   2.610
   81    HD1  HIS  14           HD1      HIS  14  -8.483  -2.881   4.633
   82    HD2  HIS  14           HD2      HIS  14 -10.514   0.626   5.583
   83    HE1  HIS  14           HE1      HIS  14  -8.554  -2.796   7.148
   84    HE2  HIS  14           HE2      HIS  14  -9.628  -0.584   7.695
   85    H    ILE  15           H        ILE  15  -6.547   0.635   4.294
   86    HA   ILE  15           HA       ILE  15  -7.607   3.352   4.312
   87    HB   ILE  15           HB       ILE  15  -5.962   3.574   6.268
   88   1HG1  ILE  15          1HG1      ILE  15  -4.897   1.282   5.630
   89   2HG1  ILE  15          2HG1      ILE  15  -5.086   1.714   7.323
   90   1HG2  ILE  15          1HG2      ILE  15  -8.002   1.659   7.121
   91   2HG2  ILE  15          2HG2      ILE  15  -8.592   3.002   6.140
   92   3HG2  ILE  15          3HG2      ILE  15  -7.710   3.321   7.634
   93   1HD1  ILE  15          1HD1      ILE  15  -6.417  -0.012   7.710
   94   2HD1  ILE  15          2HD1      ILE  15  -5.886  -0.626   6.144
   95   3HD1  ILE  15          3HD1      ILE  15  -7.386   0.297   6.270
   96    H    CYS  16           H        CYS  16  -4.775   1.522   3.550
   97    HA   CYS  16           HA       CYS  16  -3.344   4.001   2.890
   98   1HB   CYS  16          1HB       CYS  16  -2.513   3.080   4.933
   99   2HB   CYS  16          2HB       CYS  16  -2.412   1.463   4.238
  100    H    GLY  17           H        GLY  17  -4.206   0.829   1.815
  101   1HA   GLY  17          1HA       GLY  17  -2.245   0.946  -0.365
  102   2HA   GLY  17          2HA       GLY  17  -3.204  -0.458   0.085
  103   1HN   NH2  18          1HN       NH2  18  -4.782   0.451  -2.958
  104   2HN   NH2  18          2HN       NH2  18  -3.146   0.073  -2.531
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1   3.177   9.769   7.270
    2   2H    GLY   1          2H        GLY   1   2.359   9.515   5.807
    3   3H    GLY   1          3H        GLY   1   4.027   9.253   5.896
    4   1HA   GLY   1          1HA       GLY   1   2.929   7.668   7.871
    5   2HA   GLY   1          2HA       GLY   1   1.909   7.464   6.452
    6    H    CYS   2           H        CYS   2   2.563   5.380   5.966
    7    HA   CYS   2           HA       CYS   2   5.225   5.235   4.759
    8   1HB   CYS   2          1HB       CYS   2   5.626   3.002   5.737
    9   2HB   CYS   2          2HB       CYS   2   5.533   4.257   6.966
   10    H    CYS   3           H        CYS   3   2.579   5.510   3.624
   11    HA   CYS   3           HA       CYS   3   1.640   2.984   2.724
   12   1HB   CYS   3          1HB       CYS   3   1.099   5.794   1.794
   13   2HB   CYS   3          2HB       CYS   3   0.337   4.385   1.058
   14    H    SER   4           H        SER   4   4.455   4.455   1.918
   15    HA   SER   4           HA       SER   4   4.407   3.483  -0.841
   16   1HB   SER   4          1HB       SER   4   6.529   5.067   0.608
   17   2HB   SER   4          2HB       SER   4   6.560   4.628  -1.100
   18    HG   SER   4           HG       SER   4   5.253   6.218  -1.521
   19    H    HIS   5           H        HIS   5   4.438   1.819   1.649
   20    HA   HIS   5           HA       HIS   5   6.863   0.275   1.039
   21   1HB   HIS   5          1HB       HIS   5   5.760   0.758   3.820
   22   2HB   HIS   5          2HB       HIS   5   7.179  -0.208   3.417
   23    HD1  HIS   5           HD1      HIS   5   6.003   3.340   2.822
   24    HD2  HIS   5           HD2      HIS   5   9.476   1.231   3.668
   25    HE1  HIS   5           HE1      HIS   5   7.828   5.030   2.756
   26    HE2  HIS   5           HE2      HIS   5   9.949   3.755   3.292
   27    HA   PRO   6           HA       PRO   6   4.030  -3.011   0.171
   28   1HB   PRO   6          1HB       PRO   6   6.258  -4.659   1.291
   29   2HB   PRO   6          2HB       PRO   6   5.350  -4.865  -0.213
   30   1HG   PRO   6          1HG       PRO   6   7.806  -3.833  -0.239
   31   2HG   PRO   6          2HG       PRO   6   6.544  -3.214  -1.317
   32   1HD   PRO   6          1HD       PRO   6   7.701  -1.999   1.138
   33   2HD   PRO   6          2HD       PRO   6   7.038  -1.212  -0.312
   34    H    ALA   7           H        ALA   7   5.826  -3.217   3.232
   35    HA   ALA   7           HA       ALA   7   4.103  -5.008   4.528
   36   1HB   ALA   7          1HB       ALA   7   5.720  -4.875   6.041
   37   2HB   ALA   7          2HB       ALA   7   5.179  -3.254   6.475
   38   3HB   ALA   7          3HB       ALA   7   6.397  -3.469   5.218
   39    H    CYS   8           H        CYS   8   4.129  -1.456   4.522
   40    HA   CYS   8           HA       CYS   8   1.864  -1.211   6.247
   41   1HB   CYS   8          1HB       CYS   8   3.077   0.795   4.341
   42   2HB   CYS   8          2HB       CYS   8   1.874   1.157   5.572
   43    H    ASN   9           H        ASN   9   2.177  -1.977   2.927
   44    HA   ASN   9           HA       ASN   9  -0.441  -0.932   2.218
   45   1HB   ASN   9          1HB       ASN   9   1.619  -2.521   0.686
   46   2HB   ASN   9          2HB       ASN   9   0.018  -2.187   0.037
   47   1HD2  ASN   9          1HD2      ASN   9   0.586   0.400   1.863
   48   2HD2  ASN   9          2HD2      ASN   9   1.346   1.444   0.705
   49    H    VAL  10           H        VAL  10   1.020  -3.948   3.175
   50    HA   VAL  10           HA       VAL  10  -1.357  -5.496   2.593
   51    HB   VAL  10           HB       VAL  10   1.099  -6.274   4.178
   52   1HG1  VAL  10          1HG1      VAL  10  -1.249  -7.557   4.254
   53   2HG1  VAL  10          2HG1      VAL  10   0.301  -8.394   4.320
   54   3HG1  VAL  10          3HG1      VAL  10  -0.576  -8.281   2.794
   55   1HG2  VAL  10          1HG2      VAL  10   1.886  -5.817   2.022
   56   2HG2  VAL  10          2HG2      VAL  10   0.443  -6.489   1.260
   57   3HG2  VAL  10          3HG2      VAL  10   1.612  -7.561   2.034
   58    H    ASN  11           H        ASN  11   0.390  -4.387   5.490
   59    HA   ASN  11           HA       ASN  11  -1.504  -5.335   7.360
   60   1HB   ASN  11          1HB       ASN  11   0.475  -3.052   7.611
   61   2HB   ASN  11          2HB       ASN  11  -0.420  -3.754   8.953
   62   1HD2  ASN  11          1HD2      ASN  11   0.266  -6.209   6.862
   63   2HD2  ASN  11          2HD2      ASN  11   1.740  -6.776   7.566
   64    H    ASN  12           H        ASN  12  -1.218  -2.374   5.529
   65    HA   ASN  12           HA       ASN  12  -3.822  -1.482   6.575
   66   1HB   ASN  12          1HB       ASN  12  -1.560   0.290   5.671
   67   2HB   ASN  12          2HB       ASN  12  -3.110   0.820   6.314
   68   1HD2  ASN  12          1HD2      ASN  12  -3.135   1.329   8.378
   69   2HD2  ASN  12          2HD2      ASN  12  -2.019   0.776   9.573
   70    HA   PRO  13           HA       PRO  13  -3.933  -2.268   2.071
   71   1HB   PRO  13          1HB       PRO  13  -6.215  -3.715   1.966
   72   2HB   PRO  13          2HB       PRO  13  -4.652  -4.407   2.413
   73   1HG   PRO  13          1HG       PRO  13  -6.922  -3.569   4.158
   74   2HG   PRO  13          2HG       PRO  13  -5.854  -4.974   4.304
   75   1HD   PRO  13          1HD       PRO  13  -5.579  -2.684   5.784
   76   2HD   PRO  13          2HD       PRO  13  -4.241  -3.785   5.405
   77    H    HIS  14           H        HIS  14  -6.886  -1.384   3.870
   78    HA   HIS  14           HA       HIS  14  -7.866  -0.114   1.439
   79   1HB   HIS  14          1HB       HIS  14 -10.025   0.037   2.618
   80   2HB   HIS  14          2HB       HIS  14  -9.404  -1.606   2.545
   81    HD1  HIS  14           HD1      HIS  14  -9.647   1.282   5.019
   82    HD2  HIS  14           HD2      HIS  14  -9.321  -2.873   4.945
   83    HE1  HIS  14           HE1      HIS  14  -9.854   0.535   7.421
   84    HE2  HIS  14           HE2      HIS  14  -9.556  -1.971   7.364
   85    H    ILE  15           H        ILE  15  -6.316   0.787   4.270
   86    HA   ILE  15           HA       ILE  15  -7.266   3.548   4.089
   87    HB   ILE  15           HB       ILE  15  -5.811   3.848   6.145
   88   1HG1  ILE  15          1HG1      ILE  15  -4.680   1.545   5.727
   89   2HG1  ILE  15          2HG1      ILE  15  -5.016   2.055   7.376
   90   1HG2  ILE  15          1HG2      ILE  15  -8.423   3.231   5.863
   91   2HG2  ILE  15          2HG2      ILE  15  -7.657   3.663   7.391
   92   3HG2  ILE  15          3HG2      ILE  15  -7.894   1.965   6.972
   93   1HD1  ILE  15          1HD1      ILE  15  -5.776  -0.327   6.123
   94   2HD1  ILE  15          2HD1      ILE  15  -7.255   0.609   6.344
   95   3HD1  ILE  15          3HD1      ILE  15  -6.225   0.244   7.729
   96    H    CYS  16           H        CYS  16  -4.498   1.492   3.756
   97    HA   CYS  16           HA       CYS  16  -2.867   3.802   2.965
   98   1HB   CYS  16          1HB       CYS  16  -2.410   2.740   5.200
   99   2HB   CYS  16          2HB       CYS  16  -1.956   1.265   4.350
  100    H    GLY  17           H        GLY  17  -4.334   1.205   1.656
  101   1HA   GLY  17          1HA       GLY  17  -2.075   0.595  -0.137
  102   2HA   GLY  17          2HA       GLY  17  -3.407  -0.506   0.187
  103   1HN   NH2  18          1HN       NH2  18  -5.790   0.929  -1.676
  104   2HN   NH2  18          2HN       NH2  18  -5.453   1.974  -0.337
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1   6.262   8.822   4.624
    2   2H    GLY   1          2H        GLY   1   5.425  10.082   5.383
    3   3H    GLY   1          3H        GLY   1   5.366   9.923   3.698
    4   1HA   GLY   1          1HA       GLY   1   3.570   8.913   5.519
    5   2HA   GLY   1          2HA       GLY   1   3.649   8.550   3.799
    6    H    CYS   2           H        CYS   2   2.695   6.492   4.705
    7    HA   CYS   2           HA       CYS   2   4.901   4.654   5.390
    8   1HB   CYS   2          1HB       CYS   2   3.268   5.028   7.280
    9   2HB   CYS   2          2HB       CYS   2   2.019   4.323   6.258
   10    H    CYS   3           H        CYS   3   2.244   5.436   3.366
   11    HA   CYS   3           HA       CYS   3   1.716   2.831   2.360
   12   1HB   CYS   3          1HB       CYS   3   1.074   5.562   1.253
   13   2HB   CYS   3          2HB       CYS   3   0.489   4.052   0.554
   14    H    SER   4           H        SER   4   4.492   4.398   2.082
   15    HA   SER   4           HA       SER   4   4.999   3.636  -0.691
   16   1HB   SER   4          1HB       SER   4   7.288   4.739  -0.109
   17   2HB   SER   4          2HB       SER   4   5.881   5.758  -0.408
   18    HG   SER   4           HG       SER   4   7.330   5.971   1.636
   19    H    HIS   5           H        HIS   5   4.674   1.866   1.773
   20    HA   HIS   5           HA       HIS   5   7.186   0.376   1.431
   21   1HB   HIS   5          1HB       HIS   5   5.669   0.702   4.039
   22   2HB   HIS   5          2HB       HIS   5   7.142  -0.239   3.806
   23    HD1  HIS   5           HD1      HIS   5   6.024   3.334   3.253
   24    HD2  HIS   5           HD2      HIS   5   9.382   1.185   4.405
   25    HE1  HIS   5           HE1      HIS   5   7.830   5.025   3.492
   26    HE2  HIS   5           HE2      HIS   5   9.903   3.707   4.082
   27    HA   PRO   6           HA       PRO   6   4.583  -2.884   0.002
   28   1HB   PRO   6          1HB       PRO   6   6.650  -4.603   1.288
   29   2HB   PRO   6          2HB       PRO   6   5.991  -4.671  -0.350
   30   1HG   PRO   6          1HG       PRO   6   8.404  -3.646   0.093
   31   2HG   PRO   6          2HG       PRO   6   7.310  -2.914  -1.097
   32   1HD   PRO   6          1HD       PRO   6   8.040  -1.982   1.641
   33   2HD   PRO   6          2HD       PRO   6   7.669  -1.037   0.182
   34    H    ALA   7           H        ALA   7   6.051  -3.601   3.170
   35    HA   ALA   7           HA       ALA   7   4.011  -5.356   4.005
   36   1HB   ALA   7          1HB       ALA   7   6.438  -4.881   4.944
   37   2HB   ALA   7          2HB       ALA   7   5.166  -5.570   5.954
   38   3HB   ALA   7          3HB       ALA   7   5.539  -3.848   6.055
   39    H    CYS   8           H        CYS   8   4.461  -1.891   4.487
   40    HA   CYS   8           HA       CYS   8   2.352  -1.524   6.323
   41   1HB   CYS   8          1HB       CYS   8   4.178   0.119   5.901
   42   2HB   CYS   8          2HB       CYS   8   3.435   0.496   4.350
   43    H    ASN   9           H        ASN   9   2.401  -1.885   2.866
   44    HA   ASN   9           HA       ASN   9  -0.270  -0.864   2.455
   45   1HB   ASN   9          1HB       ASN   9   1.680  -2.343   0.703
   46   2HB   ASN   9          2HB       ASN   9   0.025  -2.042   0.187
   47   1HD2  ASN   9          1HD2      ASN   9   0.724   0.491   2.086
   48   2HD2  ASN   9          2HD2      ASN   9   1.330   1.595   0.896
   49    H    VAL  10           H        VAL  10   1.156  -3.876   3.366
   50    HA   VAL  10           HA       VAL  10  -1.087  -5.502   2.576
   51    HB   VAL  10           HB       VAL  10   1.209  -6.158   4.436
   52   1HG1  VAL  10          1HG1      VAL  10   0.600  -8.429   4.259
   53   2HG1  VAL  10          2HG1      VAL  10  -0.548  -8.101   2.960
   54   3HG1  VAL  10          3HG1      VAL  10  -0.899  -7.566   4.606
   55   1HG2  VAL  10          1HG2      VAL  10   2.170  -5.709   2.342
   56   2HG2  VAL  10          2HG2      VAL  10   0.843  -6.479   1.472
   57   3HG2  VAL  10          3HG2      VAL  10   1.987  -7.463   2.386
   58    H    ASN  11           H        ASN  11   0.225  -4.314   5.676
   59    HA   ASN  11           HA       ASN  11  -1.948  -5.349   7.208
   60   1HB   ASN  11          1HB       ASN  11   0.067  -3.201   7.902
   61   2HB   ASN  11          2HB       ASN  11  -1.000  -4.009   9.047
   62   1HD2  ASN  11          1HD2      ASN  11   1.916  -4.130   7.339
   63   2HD2  ASN  11          2HD2      ASN  11   2.463  -5.669   7.913
   64    H    ASN  12           H        ASN  12  -1.369  -2.385   5.493
   65    HA   ASN  12           HA       ASN  12  -3.932  -1.318   6.475
   66   1HB   ASN  12          1HB       ASN  12  -1.452   0.161   5.635
   67   2HB   ASN  12          2HB       ASN  12  -3.005   0.933   5.932
   68   1HD2  ASN  12          1HD2      ASN  12  -0.119   0.422   7.261
   69   2HD2  ASN  12          2HD2      ASN  12  -0.539   0.425   8.936
   70    HA   PRO  13           HA       PRO  13  -4.255  -2.001   1.965
   71   1HB   PRO  13          1HB       PRO  13  -6.611  -3.573   2.288
   72   2HB   PRO  13          2HB       PRO  13  -4.979  -4.134   1.922
   73   1HG   PRO  13          1HG       PRO  13  -6.349  -4.646   4.280
   74   2HG   PRO  13          2HG       PRO  13  -4.592  -4.752   4.076
   75   1HD   PRO  13          1HD       PRO  13  -6.232  -2.548   5.255
   76   2HD   PRO  13          2HD       PRO  13  -4.647  -3.175   5.763
   77    H    HIS  14           H        HIS  14  -7.071  -1.296   4.039
   78    HA   HIS  14           HA       HIS  14  -8.307   0.013   1.738
   79   1HB   HIS  14          1HB       HIS  14 -10.365   0.091   3.008
   80   2HB   HIS  14          2HB       HIS  14  -9.713  -1.543   3.026
   81    HD1  HIS  14           HD1      HIS  14  -8.574  -2.303   5.333
   82    HD2  HIS  14           HD2      HIS  14 -10.835   1.187   5.458
   83    HE1  HIS  14           HE1      HIS  14  -8.961  -1.830   7.777
   84    HE2  HIS  14           HE2      HIS  14 -10.504   0.170   7.818
   85    H    ILE  15           H        ILE  15  -6.472   0.781   4.419
   86    HA   ILE  15           HA       ILE  15  -7.390   3.557   4.438
   87    HB   ILE  15           HB       ILE  15  -5.705   3.751   6.341
   88   1HG1  ILE  15          1HG1      ILE  15  -4.713   1.426   5.759
   89   2HG1  ILE  15          2HG1      ILE  15  -4.872   1.890   7.446
   90   1HG2  ILE  15          1HG2      ILE  15  -7.776   3.934   7.196
   91   2HG2  ILE  15          2HG2      ILE  15  -7.413   2.340   7.853
   92   3HG2  ILE  15          3HG2      ILE  15  -8.355   2.485   6.370
   93   1HD1  ILE  15          1HD1      ILE  15  -6.063   0.071   7.839
   94   2HD1  ILE  15          2HD1      ILE  15  -5.885  -0.400   6.149
   95   3HD1  ILE  15          3HD1      ILE  15  -7.264   0.575   6.649
   96    H    CYS  16           H        CYS  16  -4.732   1.465   3.719
   97    HA   CYS  16           HA       CYS  16  -3.163   3.749   2.743
   98   1HB   CYS  16          1HB       CYS  16  -2.413   2.876   4.926
   99   2HB   CYS  16          2HB       CYS  16  -2.197   1.280   4.211
  100    H    GLY  17           H        GLY  17  -4.885   1.512   1.429
  101   1HA   GLY  17          1HA       GLY  17  -2.811   0.351  -0.298
  102   2HA   GLY  17          2HA       GLY  17  -4.488  -0.170  -0.216
  103   1HN   NH2  18          1HN       NH2  18  -6.085   1.182  -1.688
  104   2HN   NH2  18          2HN       NH2  18  -5.116   1.242  -3.119
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1   4.303   8.869   8.071
    2   2H    GLY   1          2H        GLY   1   3.131   9.520   7.030
    3   3H    GLY   1          3H        GLY   1   4.566   8.881   6.395
    4   1HA   GLY   1          1HA       GLY   1   2.990   7.062   8.018
    5   2HA   GLY   1          2HA       GLY   1   2.278   7.532   6.480
    6    H    CYS   2           H        CYS   2   2.556   5.189   6.050
    7    HA   CYS   2           HA       CYS   2   5.171   4.757   4.802
    8   1HB   CYS   2          1HB       CYS   2   4.966   2.311   5.621
    9   2HB   CYS   2          2HB       CYS   2   5.535   3.531   6.753
   10    H    CYS   3           H        CYS   3   2.529   5.441   3.749
   11    HA   CYS   3           HA       CYS   3   1.319   3.128   2.647
   12   1HB   CYS   3          1HB       CYS   3   1.100   6.051   1.951
   13   2HB   CYS   3          2HB       CYS   3   0.166   4.800   1.130
   14    H    SER   4           H        SER   4   4.259   4.449   1.898
   15    HA   SER   4           HA       SER   4   4.121   3.660  -0.915
   16   1HB   SER   4          1HB       SER   4   6.344   5.050   0.585
   17   2HB   SER   4          2HB       SER   4   6.301   4.749  -1.153
   18    HG   SER   4           HG       SER   4   5.608   6.901  -0.467
   19    H    HIS   5           H        HIS   5   4.369   1.986   1.736
   20    HA   HIS   5           HA       HIS   5   6.668   0.378   0.835
   21   1HB   HIS   5          1HB       HIS   5   5.752   0.804   3.694
   22   2HB   HIS   5          2HB       HIS   5   7.133  -0.164   3.179
   23    HD1  HIS   5           HD1      HIS   5   5.975   3.392   2.568
   24    HD2  HIS   5           HD2      HIS   5   9.430   1.270   3.454
   25    HE1  HIS   5           HE1      HIS   5   7.804   5.070   2.494
   26    HE2  HIS   5           HE2      HIS   5   9.861   3.825   3.295
   27    HA   PRO   6           HA       PRO   6   3.724  -2.812   0.070
   28   1HB   PRO   6          1HB       PRO   6   6.063  -4.571   0.631
   29   2HB   PRO   6          2HB       PRO   6   4.964  -4.561  -0.754
   30   1HG   PRO   6          1HG       PRO   6   7.408  -3.541  -0.969
   31   2HG   PRO   6          2HG       PRO   6   6.025  -2.751  -1.750
   32   1HD   PRO   6          1HD       PRO   6   7.504  -1.983   0.727
   33   2HD   PRO   6          2HD       PRO   6   6.777  -0.950  -0.525
   34    H    ALA   7           H        ALA   7   5.890  -3.207   2.861
   35    HA   ALA   7           HA       ALA   7   4.301  -5.194   4.130
   36   1HB   ALA   7          1HB       ALA   7   5.596  -4.124   6.215
   37   2HB   ALA   7          2HB       ALA   7   6.604  -3.519   4.898
   38   3HB   ALA   7          3HB       ALA   7   6.344  -5.254   5.084
   39    H    CYS   8           H        CYS   8   4.491  -1.682   4.434
   40    HA   CYS   8           HA       CYS   8   2.537  -1.502   6.500
   41   1HB   CYS   8          1HB       CYS   8   4.196   0.267   6.123
   42   2HB   CYS   8          2HB       CYS   8   3.501   0.593   4.539
   43    H    ASN   9           H        ASN   9   2.385  -1.958   3.102
   44    HA   ASN   9           HA       ASN   9  -0.302  -0.915   2.828
   45   1HB   ASN   9          1HB       ASN   9   1.549  -2.371   0.944
   46   2HB   ASN   9          2HB       ASN   9  -0.129  -2.049   0.528
   47   1HD2  ASN   9          1HD2      ASN   9   0.795   0.437   2.451
   48   2HD2  ASN   9          2HD2      ASN   9   1.307   1.562   1.235
   49    H    VAL  10           H        VAL  10   1.104  -3.906   3.782
   50    HA   VAL  10           HA       VAL  10  -1.137  -5.475   2.880
   51    HB   VAL  10           HB       VAL  10   1.247  -6.307   3.038
   52   1HG1  VAL  10          1HG1      VAL  10   0.540  -6.697   5.935
   53   2HG1  VAL  10          2HG1      VAL  10   1.764  -5.594   5.305
   54   3HG1  VAL  10          3HG1      VAL  10   1.965  -7.337   5.117
   55   1HG2  VAL  10          1HG2      VAL  10  -1.081  -7.865   4.105
   56   2HG2  VAL  10          2HG2      VAL  10   0.479  -8.613   3.766
   57   3HG2  VAL  10          3HG2      VAL  10  -0.434  -7.843   2.466
   58    H    ASN  11           H        ASN  11   0.031  -4.238   6.004
   59    HA   ASN  11           HA       ASN  11  -2.378  -5.266   7.299
   60   1HB   ASN  11          1HB       ASN  11  -1.433  -4.320   9.368
   61   2HB   ASN  11          2HB       ASN  11  -0.296  -5.400   8.568
   62   1HD2  ASN  11          1HD2      ASN  11   1.580  -4.593   7.743
   63   2HD2  ASN  11          2HD2      ASN  11   2.134  -2.984   8.051
   64    H    ASN  12           H        ASN  12  -1.543  -2.692   5.447
   65    HA   ASN  12           HA       ASN  12  -3.898  -1.205   6.361
   66   1HB   ASN  12          1HB       ASN  12  -1.206   0.017   5.818
   67   2HB   ASN  12          2HB       ASN  12  -2.699   0.946   5.794
   68   1HD2  ASN  12          1HD2      ASN  12  -0.147   0.451   7.601
   69   2HD2  ASN  12          2HD2      ASN  12  -0.825   0.561   9.186
   70    HA   PRO  13           HA       PRO  13  -3.651  -2.069   1.831
   71   1HB   PRO  13          1HB       PRO  13  -6.119  -3.539   1.968
   72   2HB   PRO  13          2HB       PRO  13  -4.497  -4.146   1.640
   73   1HG   PRO  13          1HG       PRO  13  -5.933  -4.722   3.909
   74   2HG   PRO  13          2HG       PRO  13  -4.164  -4.776   3.807
   75   1HD   PRO  13          1HD       PRO  13  -5.936  -2.645   4.934
   76   2HD   PRO  13          2HD       PRO  13  -4.376  -3.251   5.532
   77    H    HIS  14           H        HIS  14  -6.711  -1.375   3.505
   78    HA   HIS  14           HA       HIS  14  -7.668   0.006   1.114
   79   1HB   HIS  14          1HB       HIS  14  -9.835   0.130   2.435
   80   2HB   HIS  14          2HB       HIS  14  -9.294  -1.483   1.983
   81    HD1  HIS  14           HD1      HIS  14  -8.121  -2.887   3.969
   82    HD2  HIS  14           HD2      HIS  14 -10.264   0.498   5.105
   83    HE1  HIS  14           HE1      HIS  14  -8.371  -3.046   6.468
   84    HE2  HIS  14           HE2      HIS  14  -9.572  -0.943   7.150
   85    H    ILE  15           H        ILE  15  -6.281   0.689   4.116
   86    HA   ILE  15           HA       ILE  15  -7.325   3.410   4.170
   87    HB   ILE  15           HB       ILE  15  -5.913   3.513   6.302
   88   1HG1  ILE  15          1HG1      ILE  15  -4.758   1.262   5.636
   89   2HG1  ILE  15          2HG1      ILE  15  -5.108   1.601   7.324
   90   1HG2  ILE  15          1HG2      ILE  15  -8.407   1.923   5.946
   91   2HG2  ILE  15          2HG2      ILE  15  -8.197   3.540   6.615
   92   3HG2  ILE  15          3HG2      ILE  15  -7.698   2.130   7.548
   93   1HD1  ILE  15          1HD1      ILE  15  -5.874  -0.629   5.806
   94   2HD1  ILE  15          2HD1      ILE  15  -7.346   0.276   6.157
   95   3HD1  ILE  15          3HD1      ILE  15  -6.299  -0.250   7.474
   96    H    CYS  16           H        CYS  16  -4.450   1.571   3.632
   97    HA   CYS  16           HA       CYS  16  -2.962   4.042   3.075
   98   1HB   CYS  16          1HB       CYS  16  -2.496   3.020   5.303
   99   2HB   CYS  16          2HB       CYS  16  -1.940   1.564   4.480
  100    H    GLY  17           H        GLY  17  -4.174   1.416   1.624
  101   1HA   GLY  17          1HA       GLY  17  -1.786   0.835   0.014
  102   2HA   GLY  17          2HA       GLY  17  -3.264  -0.117   0.036
  103   1HN   NH2  18          1HN       NH2  18  -4.633   3.000  -0.509
  104   2HN   NH2  18          2HN       NH2  18  -3.146   3.598  -1.156