*HEADER    METAL BINDING PROTEIN                   28-SEP-07   2JVX              
*TITLE     SOLUTION STRUCTURE OF HUMAN NEMO ZINC FINGER                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NF-KAPPA-B ESSENTIAL MODULATOR;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZINC FINGER DOMAIN;                                        
*COMPND   5 SYNONYM: NEMO, NF-KAPPA-B ESSENTIAL MODIFIER, INHIBITOR OF           
*COMPND   6 NUCLEAR FACTOR KAPPA-B KINASE SUBUNIT GAMMA, IKB KINASE              
*COMPND   7 SUBUNIT GAMMA, I-KAPPA-B KINASE GAMMA, IKK-GAMMA, IKKG,              
*COMPND   8 IKB KINASE-ASSOCIATED PROTEIN 1, IKKAP1, FIP-3;                      
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHETIC PEPTIDE, TERMINI-BLOCKED BY N-              
*SOURCE   4 ACETYL AND C-AMIDE GROUPS                                            
*KEYWDS    CCHC CLASSICAL ZINC FINGER, NEMO ZINC FINGER, BETA-BETA-              
*KEYWDS   2 ALPHA FOLD, COILED COIL, CYTOPLASM, DISEASE MUTATION,                
*KEYWDS   3 ECTODERMAL DYSPLASIA, HOST-VIRUS INTERACTION, NUCLEUS,               
*KEYWDS   4 TRANSCRIPTION, TRANSCRIPTION REGULATION, METAL BINDING               
*KEYWDS   5 PROTEIN                                                              
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    F.CORDIER, E.VINOLO, M.VERON, M.DELEPIERRE, F.AGOU                    
*REVDAT   1   18-MAR-08 2JVX    0                                                


! unambiguous NOEs

 ASSI {    1}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.52048E-02 ppm1      3.292 ppm2      5.014 CV     1
 ASSI {    2}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.38808E-02 ppm1      2.392 ppm2      5.017 CV     1
 ASSI {    3}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.24231E-02 ppm1      9.216 ppm2      5.149 CV     1
 ASSI {    4}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.300     1.300     1.300 peak     4 spectrum    1 weight  0.10000E+01 volume  0.88558E-03 ppm1      9.217 ppm2      4.497 CV     1
 ASSI {    5}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak     5 spectrum    1 weight  0.10000E+01 volume  0.22278E-02 ppm1      9.233 ppm2      4.344 CV     1
 ASSI {    6}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HD2 ))
      2.900     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.14722E-02 ppm1      9.233 ppm2      4.208 CV     1
 ASSI {    7}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     1.500     1.500 peak     7 spectrum    1 weight  0.10000E+01 volume  0.81598E-03 ppm1      9.194 ppm2      4.019 CV     1
 ASSI {   10}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.100     1.200     1.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.14787E-02 ppm1      9.216 ppm2      3.269 CV     1
 ASSI {   11}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.900     1.000     1.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.11011E-02 ppm1      9.195 ppm2      3.078 CV     1
 ASSI {   12}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.000     1.100     1.100 peak    12 spectrum    1 weight  0.10000E+01 volume  0.11928E-02 ppm1      9.215 ppm2      2.720 CV     1
 ASSI {   13}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.500     2.500     1.500 peak    13 spectrum    1 weight  0.10000E+01 volume  0.21351E-03 ppm1      9.217 ppm2      2.608 CV     1
 ASSI {   14}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      2.500     0.800     0.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.40770E-02 ppm1      9.195 ppm2      2.245 CV     1
 ASSI {   15}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.500     0.800     0.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.49305E-02 ppm1      9.233 ppm2      1.975 CV     1
 ASSI {   16}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.800     1.000     1.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.34692E-02 ppm1      9.234 ppm2      1.893 CV     1
 ASSI {   17}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.300     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.47963E-02 ppm1      9.194 ppm2      1.348 CV     1
 ASSI {   18}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.500     1.500     1.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.30822E-02 ppm1      9.194 ppm2      1.173 CV     1
 ASSI {   19}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      3.500     1.600     1.600 peak    19 spectrum    1 weight  0.10000E+01 volume  0.96187E-03 ppm1      9.193 ppm2      0.874 CV     1
 ASSI {   20}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.700     0.900     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.29097E-02 ppm1      8.648 ppm2      3.944 CV     1
 ASSI {   21}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.34543E-02 ppm1      8.648 ppm2      3.913 CV     1
 ASSI {   22}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.41452E-02 ppm1      8.650 ppm2      2.532 CV     1
 ASSI {   23}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.400     1.400     1.400 peak    23 spectrum    1 weight  0.10000E+01 volume  0.20025E-02 ppm1      8.650 ppm2      1.406 CV     1
 ASSI {   24}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.200     2.300     1.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.31790E-03 ppm1      8.649 ppm2      4.271 CV     1
 ASSI {   25}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.22882E-02 ppm1      8.310 ppm2      4.018 CV     1
 ASSI {   27}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.900     1.000     1.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.25724E-02 ppm1      8.307 ppm2      2.137 CV     1
 ASSI {   28}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.300     1.300 peak    28 spectrum    1 weight  0.10000E+01 volume  0.10054E-02 ppm1      8.245 ppm2      4.136 CV     1
 ASSI {   29}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HG2%)
      3.900     1.900     1.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.13052E-02 ppm1      8.249 ppm2      0.864 CV     1
 OR {   29}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI {   30}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG11))
      2.600     0.900     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.25679E-02 ppm1      8.247 ppm2      1.136 CV     1
 ASSI {   31}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.400     0.700     0.700 peak    31 spectrum    1 weight  0.10000E+01 volume  0.64166E-02 ppm1      8.231 ppm2      2.526 CV     1
 OR {   31}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {   32}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.500     1.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.66695E-03 ppm1      8.173 ppm2      2.968 CV     1
 OR {   32}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {   33}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     1.000     1.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.29915E-02 ppm1      7.908 ppm2      3.635 CV     1
 ASSI {   34}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.900     1.900     1.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.41697E-03 ppm1      7.908 ppm2      3.754 CV     1
 ASSI {   35}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      2.800     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.18906E-02 ppm1      7.908 ppm2      1.888 CV     1
 ASSI {   36}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.600     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.29293E-02 ppm1      7.908 ppm2      3.074 CV     1
 ASSI {   37}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.200     1.300     1.300 peak    37 spectrum    1 weight  0.10000E+01 volume  0.26528E-02 ppm1      8.308 ppm2      2.506 CV     1
 OR {   37}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI {   38}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      3.100     1.200     1.200 peak    38 spectrum    1 weight  0.10000E+01 volume  0.97241E-03 ppm1      8.269 ppm2      1.442 CV     1
 ASSI {   39}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.200     1.300     1.300 peak    39 spectrum    1 weight  0.10000E+01 volume  0.89410E-03 ppm1      8.262 ppm2      1.895 CV     1
 ASSI {   40}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.200     1.300     1.300 peak    40 spectrum    1 weight  0.10000E+01 volume  0.17324E-02 ppm1      8.262 ppm2      1.976 CV     1
 ASSI {   41}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      5.000     3.100     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.35919E-03 ppm1      7.803 ppm2      0.878 CV     1
 ASSI {   42}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      4.800     2.900     1.200 peak    42 spectrum    1 weight  0.10000E+01 volume  0.50290E-03 ppm1      7.801 ppm2      0.978 CV     1
 ASSI {   43}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      4.600     2.600     1.400 peak    43 spectrum    1 weight  0.10000E+01 volume  0.48706E-03 ppm1      7.799 ppm2      1.692 CV     1
 ASSI {   44}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.600     0.900     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.34338E-02 ppm1      7.758 ppm2      2.022 CV     1
 ASSI {   45}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.43221E-02 ppm1      7.800 ppm2      2.234 CV     1
 ASSI {   46}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.30605E-02 ppm1      7.759 ppm2      2.510 CV     1
 ASSI {   47}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.500     1.500     1.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.92491E-03 ppm1      7.846 ppm2      2.618 CV     1
 ASSI {   48}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
      4.100     2.200     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.54127E-03 ppm1      7.867 ppm2      2.221 CV     1
 OR {   48}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
 ASSI {   49}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.100     1.200     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.13025E-02 ppm1      7.871 ppm2      2.054 CV     1
 ASSI {   50}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.200     1.300     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.18342E-02 ppm1      7.870 ppm2      1.897 CV     1
 ASSI {   51}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     1.100     1.100 peak    51 spectrum    1 weight  0.10000E+01 volume  0.20731E-02 ppm1      7.760 ppm2      3.784 CV     1
 ASSI {   52}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.24566E-02 ppm1      7.799 ppm2      4.099 CV     1
 ASSI {   54}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.200     1.200 peak    54 spectrum    1 weight  0.10000E+01 volume  0.16837E-02 ppm1      7.908 ppm2      4.098 CV     1
 ASSI {   55}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.900     1.900     1.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.33320E-03 ppm1      7.852 ppm2      5.155 CV     1
 ASSI {   56}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.800     1.800     1.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.38869E-03 ppm1      7.636 ppm2      4.372 CV     1
 ASSI {   57}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.100     1.200     1.200 peak    57 spectrum    1 weight  0.10000E+01 volume  0.30224E-02 ppm1      7.638 ppm2      1.638 CV     1
 ASSI {   58}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.700     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.27042E-02 ppm1      7.639 ppm2      1.716 CV     1
 ASSI {   59}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.73655E-03 ppm1      7.635 ppm2      2.212 CV     1
 ASSI {   60}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak    60 spectrum    1 weight  0.10000E+01 volume  0.18703E-02 ppm1      7.399 ppm2      4.151 CV     1
 ASSI {   61}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.200     1.300     1.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.12105E-02 ppm1      7.396 ppm2      2.623 CV     1
 ASSI {   62}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.100     1.200     1.200 peak    62 spectrum    1 weight  0.10000E+01 volume  0.14644E-02 ppm1      7.400 ppm2      2.746 CV     1
 ASSI {   63}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.500     0.800     0.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.53095E-02 ppm1      7.399 ppm2      2.154 CV     1
 OR {   63}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {   64}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.22487E-02 ppm1      7.343 ppm2      3.751 CV     1
 ASSI {   65}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      2.500     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.48026E-02 ppm1      7.344 ppm2      1.890 CV     1
 ASSI {   66}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
      2.800     1.000     1.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.38659E-02 ppm1      7.345 ppm2      1.688 CV     1
 ASSI {   67}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      2.700     0.900     0.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.20320E-02 ppm1      7.345 ppm2      1.189 CV     1
 ASSI {   68}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.000     2.000     2.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.11580E-02 ppm1      7.342 ppm2      0.899 CV     1
 ASSI {   69}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      4.400     2.400     1.600 peak    69 spectrum    1 weight  0.10000E+01 volume  0.43875E-03 ppm1      7.343 ppm2      0.820 CV     1
 ASSI {   70}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.900     1.000     1.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.42082E-02 ppm1      7.027 ppm2      1.832 CV     1
 ASSI {   71}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.100     1.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.14616E-02 ppm1      7.025 ppm2      1.932 CV     1
 ASSI {   73}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.800     1.000     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.29811E-02 ppm1      7.023 ppm2      4.261 CV     1
 ASSI {   74}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.500     1.500 peak    74 spectrum    1 weight  0.10000E+01 volume  0.96791E-03 ppm1      7.023 ppm2      4.156 CV     1
 ASSI {   75}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.800     1.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.47124E-03 ppm1      7.399 ppm2      3.626 CV     1
 ASSI {   76}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.500     1.600     1.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.74549E-03 ppm1      7.399 ppm2      3.749 CV     1
 ASSI {   77}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.900     1.900     1.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.41434E-03 ppm1      7.340 ppm2      4.015 CV     1
 ASSI {   78}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.000     2.000     2.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.37719E-03 ppm1      8.308 ppm2      4.101 CV     1
 ASSI {   79}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.100     1.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.23215E-02 ppm1      7.797 ppm2      3.910 CV     1
 ASSI {   80}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      3.000     1.100     1.100 peak    80 spectrum    1 weight  0.10000E+01 volume  0.14293E-02 ppm1      7.798 ppm2      3.949 CV     1
 ASSI {   81}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak    81 spectrum    1 weight  0.10000E+01 volume  0.16522E-02 ppm1      8.231 ppm2      4.271 CV     1
 ASSI {   82}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.800     1.800     1.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.45014E-03 ppm1      7.836 ppm2      4.642 CV     1
 ASSI {   83}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.21235E-02 ppm1      9.196 ppm2      7.388 CV     1
 ASSI {   84}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.20305E-02 ppm1      9.195 ppm2      7.907 CV     1
 ASSI {   85}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.27629E-02 ppm1      8.650 ppm2      7.793 CV     1
 ASSI {   90}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.22906E-02 ppm1      8.310 ppm2      7.339 CV     1
 ASSI {   93}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.400     1.400 peak    93 spectrum    1 weight  0.10000E+01 volume  0.13302E-02 ppm1      7.873 ppm2      8.242 CV     1
 ASSI {   94}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.21879E-02 ppm1      7.801 ppm2      8.305 CV     1
 ASSI {   95}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.100     1.200     1.200 peak    95 spectrum    1 weight  0.10000E+01 volume  0.12764E-02 ppm1      7.759 ppm2      8.244 CV     1
 ASSI {  100}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   100 spectrum    1 weight  0.10000E+01 volume  0.26001E-02 ppm1      7.344 ppm2      7.909 CV     1
 ASSI {  101}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.46041E-02 ppm1      7.025 ppm2      7.756 CV     1
 ASSI {  103}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.37497E-02 ppm1      5.157 ppm2      2.616 CV     1
 ASSI {  104}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.900     1.000     1.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.23461E-02 ppm1      5.164 ppm2      2.560 CV     1
 ASSI {  106}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     0.700     0.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.43716E-02 ppm1      9.233 ppm2      8.256 CV     1
 ASSI {  108}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.500     1.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.13985E-02 ppm1      7.992 ppm2      8.801 CV     1
 ASSI {  109}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.23907E-02 ppm1      8.233 ppm2      8.642 CV     1
 ASSI {  112}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.500     3.700     0.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.21216E-03 ppm1      9.237 ppm2      8.001 CV     1
 ASSI {  114}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.28754E-02 ppm1      7.028 ppm2      7.395 CV     1
 ASSI {  115}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.300     1.300 peak   115 spectrum    1 weight  0.10000E+01 volume  0.97507E-03 ppm1      8.801 ppm2      4.155 CV     1
 ASSI {  116}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.800     1.800     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.15340E-02 ppm1      8.801 ppm2      3.273 CV     1
 ASSI {  117}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak   117 spectrum    1 weight  0.10000E+01 volume  0.17523E-02 ppm1      8.802 ppm2      3.098 CV     1
 ASSI {  118}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.800     1.800     1.800 peak   118 spectrum    1 weight  0.10000E+01 volume  0.33530E-03 ppm1      8.803 ppm2      2.718 CV     1
 ASSI {  119}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      5.400     3.600     0.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.19814E-03 ppm1      8.799 ppm2      2.363 CV     1
 ASSI {  120}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.800     1.000     1.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.18365E-02 ppm1      8.801 ppm2      1.923 CV     1
 ASSI {  121}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.700     2.800     1.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.10217E-03 ppm1      8.803 ppm2      4.097 CV     1
 ASSI {  122}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.000     2.000     2.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.42386E-03 ppm1      8.308 ppm2      3.904 CV     1
 ASSI {  123}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.600     1.600     1.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.76616E-03 ppm1      8.229 ppm2      3.901 CV     1
 ASSI {  124}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.32686E-02 ppm1      8.247 ppm2      3.782 CV     1
 ASSI {  125}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      3.400     1.500     1.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10207E-02 ppm1      8.306 ppm2      1.696 CV     1
 ASSI {  126}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      5.000     3.200     1.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.28115E-03 ppm1      8.306 ppm2      0.866 CV     1
 ASSI {  127}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      4.900     3.000     1.100 peak   127 spectrum    1 weight  0.10000E+01 volume  0.28653E-03 ppm1      8.303 ppm2      0.978 CV     1
 ASSI {  128}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   128 spectrum    1 weight  0.10000E+01 volume  0.10534E-02 ppm1      8.276 ppm2      4.371 CV     1
 ASSI {  129}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      4.400     2.500     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.20469E-03 ppm1      8.275 ppm2      5.156 CV     1
 ASSI {  130}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.000     2.000     2.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.30329E-03 ppm1      8.272 ppm2      2.972 CV     1
 OR {  130}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  131}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   131 spectrum    1 weight  0.10000E+01 volume  0.15039E-02 ppm1      8.267 ppm2      5.015 CV     1
 ASSI {  133}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.700     0.900     0.900 peak   133 spectrum    1 weight  0.10000E+01 volume  0.26702E-02 ppm1      8.263 ppm2      2.379 CV     1
 ASSI {  134}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      4.100     2.100     1.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.78612E-03 ppm1      8.247 ppm2      3.627 CV     1
 ASSI {  135}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.300     1.400     1.400 peak   135 spectrum    1 weight  0.10000E+01 volume  0.58760E-03 ppm1      8.266 ppm2      2.714 CV     1
 ASSI {  136}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.100     1.200     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.12037E-02 ppm1      8.165 ppm2      4.253 CV     1
 ASSI {  137}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.27357E-02 ppm1      7.992 ppm2      4.094 CV     1
 ASSI {  138}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.400     1.400 peak   138 spectrum    1 weight  0.10000E+01 volume  0.87580E-03 ppm1      7.991 ppm2      5.016 CV     1
 ASSI {  139}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.30567E-02 ppm1      7.992 ppm2      3.277 CV     1
 ASSI {  140}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.900     1.100     1.100 peak   140 spectrum    1 weight  0.10000E+01 volume  0.18284E-02 ppm1      7.989 ppm2      2.236 CV     1
 ASSI {  142}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.700     1.700     1.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.10359E-02 ppm1      7.909 ppm2      0.892 CV     1
 ASSI {  143}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      4.800     2.900     1.200 peak   143 spectrum    1 weight  0.10000E+01 volume  0.30013E-03 ppm1      7.907 ppm2      1.178 CV     1
 ASSI {  144}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      5.100     3.200     0.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.26713E-03 ppm1      7.909 ppm2      1.347 CV     1
 ASSI {  145}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
      4.900     3.000     1.100 peak   145 spectrum    1 weight  0.10000E+01 volume  0.33232E-03 ppm1      7.912 ppm2      1.694 CV     1
 ASSI {  146}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HG2%)
      3.600     1.600     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.77742E-03 ppm1      7.871 ppm2      0.863 CV     1
 ASSI {  147}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.300     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.69011E-02 ppm1      7.799 ppm2      1.446 CV     1
 ASSI {  148}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.300     1.400     1.400 peak   148 spectrum    1 weight  0.10000E+01 volume  0.14044E-02 ppm1      7.761 ppm2      3.625 CV     1
 ASSI {  149}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.500     1.500 peak   149 spectrum    1 weight  0.10000E+01 volume  0.91170E-03 ppm1      7.761 ppm2      4.263 CV     1
 ASSI {  150}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.900     1.900     1.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.63828E-03 ppm1      7.758 ppm2      1.934 CV     1
 ASSI {  151}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.000     3.200     1.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.12770E-03 ppm1      7.754 ppm2      1.818 CV     1
 ASSI {  152}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.100     0.600     0.600 peak   152 spectrum    1 weight  0.10000E+01 volume  0.10901E-01 ppm1      7.635 ppm2      4.156 CV     1
 ASSI {  153}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.600     2.700     1.400 peak   153 spectrum    1 weight  0.10000E+01 volume  0.56452E-03 ppm1      7.640 ppm2      3.102 CV     1
 ASSI {  154}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.200     2.200     1.800 peak   154 spectrum    1 weight  0.10000E+01 volume  0.27041E-03 ppm1      7.636 ppm2      2.126 CV     1
 ASSI {  155}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.600     2.600     1.400 peak   155 spectrum    1 weight  0.10000E+01 volume  0.19394E-03 ppm1      7.404 ppm2      4.025 CV     1
 ASSI {  156}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      4.100     2.100     1.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.99687E-03 ppm1      7.400 ppm2      1.347 CV     1
 ASSI {  157}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.700     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.10149E-02 ppm1      7.400 ppm2      1.176 CV     1
 ASSI {  158}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.500     1.500     1.500 peak   158 spectrum    1 weight  0.10000E+01 volume  0.88267E-03 ppm1      7.345 ppm2      3.905 CV     1
 ASSI {  159}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.300     1.400     1.400 peak   159 spectrum    1 weight  0.10000E+01 volume  0.15821E-02 ppm1      7.345 ppm2      2.218 CV     1
 ASSI {  160}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.400     1.500     1.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.53736E-03 ppm1      7.344 ppm2      2.138 CV     1
 ASSI {  162}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.800     1.300 peak   162 spectrum    1 weight  0.10000E+01 volume  0.36036E-03 ppm1      8.166 ppm2      7.840 CV     1
 ASSI {  163}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.500     1.600 peak   163 spectrum    1 weight  0.10000E+01 volume  0.25101E-03 ppm1      8.271 ppm2      8.800 CV     1
 ASSI {  164}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   164 spectrum    1 weight  0.10000E+01 volume  0.16864E-02 ppm1      7.992 ppm2      8.258 CV     1
 ASSI {  167}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.300     0.600     0.600 peak   167 spectrum    1 weight  0.10000E+01 volume  0.62661E-02 ppm1      4.161 ppm2      3.097 CV     1
 ASSI {  168}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.500     0.800     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.10423E-01 ppm1      4.106 ppm2      3.075 CV     1
 ASSI {  169}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
      1.800     0.400     0.400 peak   169 spectrum    1 weight  0.10000E+01 volume  0.11103E-01 ppm1      3.647 ppm2      3.076 CV     1
 ASSI {  170}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.57376E-02 ppm1      3.679 ppm2      2.719 CV     1
 OR {  170}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {  171}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HG2%)
      2.700     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.41334E-02 ppm1      4.150 ppm2      0.867 CV     1
 ASSI {  173}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.400     0.700     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.90897E-02 ppm1      4.116 ppm2      1.440 CV     1
 ASSI {  174}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.89162E-02 ppm1      3.953 ppm2      1.406 CV     1
 ASSI {  175}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.11224E-01 ppm1      3.915 ppm2      1.404 CV     1
 ASSI {  178}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
      2.300     0.700     0.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.72920E-02 ppm1      3.633 ppm2      1.171 CV     1
 ASSI {  182}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.500     0.800     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.85395E-02 ppm1      3.786 ppm2      2.031 CV     1
 ASSI {  183}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.400     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.76782E-02 ppm1      4.345 ppm2      1.893 CV     1
 ASSI {  184}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.400     0.700     0.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.66121E-02 ppm1      4.346 ppm2      1.974 CV     1
 ASSI {  185}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.700     0.900     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.45008E-02 ppm1      4.265 ppm2      1.936 CV     1
 ASSI {  187}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.400     0.700     0.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.58135E-02 ppm1      4.035 ppm2      2.210 CV     1
 ASSI {  188}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.400     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.78624E-02 ppm1      4.028 ppm2      2.137 CV     1
 ASSI {  189}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.300     0.700     0.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.91892E-02 ppm1      4.156 ppm2      2.124 CV     1
 OR {  189}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  190}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.300     0.600     0.600 peak   190 spectrum    1 weight  0.10000E+01 volume  0.11608E-01 ppm1      4.284 ppm2      2.529 CV     1
 OR {  190}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  191}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.58939E-02 ppm1      3.757 ppm2      0.896 CV     1
 ASSI {  192}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
      2.900     1.000     1.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.33997E-02 ppm1      3.763 ppm2      1.192 CV     1
 ASSI {  194}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      2.400     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.64871E-02 ppm1      4.028 ppm2      1.351 CV     1
 ASSI {  195}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG2 ))
      3.000     1.100     1.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.22769E-02 ppm1      4.346 ppm2      1.348 CV     1
 ASSI {  196}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HB1 ))
      1.800     0.400     0.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.11515E-01 ppm1      3.281 ppm2      2.718 CV     1
 ASSI {  197}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      1.900     0.400     0.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.11529E-01 ppm1      3.291 ppm2      2.386 CV     1
 ASSI {  198}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      1.800     0.400     0.400 peak   198 spectrum    1 weight  0.10000E+01 volume  0.12427E-01 ppm1      3.104 ppm2      1.924 CV     1
 ASSI {  201}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 8    and name HD1 ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.54946E-02 ppm1      2.933 ppm2      1.626 CV     1
 ASSI {  202}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 19   and name HD2%)
      2.400     0.700     0.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.38509E-02 ppm1      2.974 ppm2      0.977 CV     1
 OR {  202}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 19   and name HD2%)
 ASSI {  203}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      1.800     0.400     0.400 peak   203 spectrum    1 weight  0.10000E+01 volume  0.12554E-01 ppm1      2.026 ppm2      2.515 CV     1
 ASSI {  205}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG1%)
      2.200     0.600     0.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.81302E-02 ppm1      2.241 ppm2      1.172 CV     1
 ASSI {  207}
   (( segid "    " and resid 27   and name HB  ))
   (  segid "    " and resid 27   and name HG2%)
      2.200     0.600     0.600 peak   207 spectrum    1 weight  0.10000E+01 volume  0.10918E-01 ppm1      1.969 ppm2      0.864 CV     1
 OR {  207}
   (( segid "    " and resid 27   and name HB  ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI {  208}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HG2%)
      2.100     0.600     0.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.10701E-01 ppm1      1.890 ppm2      0.893 CV     1
 ASSI {  211}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 19   and name HD1%)
      2.900     1.000     1.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.13510E-02 ppm1      2.241 ppm2      0.876 CV     1
 ASSI {  215}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.300     1.400     1.400 peak   215 spectrum    1 weight  0.10000E+01 volume  0.11451E-02 ppm1      4.392 ppm2      1.720 CV     1
 ASSI {  216}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
      2.800     1.000     1.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.21764E-02 ppm1      3.759 ppm2      1.687 CV     1
 ASSI {  217}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HG  ))
      2.900     1.000     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.25835E-02 ppm1      4.115 ppm2      1.708 CV     1
 ASSI {  218}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG1 ))
      2.900     1.100     1.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.25563E-02 ppm1      4.350 ppm2      1.250 CV     1
 ASSI {  219}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      2.700     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.26828E-02 ppm1      3.914 ppm2      0.815 CV     1
 ASSI {  227}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.900     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.31597E-02 ppm1      2.981 ppm2      4.644 CV     1
 OR {  227}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  228}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.70427E-02 ppm1      2.723 ppm2      4.512 CV     1
 ASSI {  229}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.64426E-02 ppm1      2.256 ppm2      4.416 CV     1
 ASSI {  231}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.300     1.300 peak   231 spectrum    1 weight  0.10000E+01 volume  0.92265E-03 ppm1      2.371 ppm2      4.083 CV     1
 ASSI {  232}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.200     0.600     0.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.63479E-02 ppm1      1.448 ppm2      4.337 CV     1
 ASSI {  233}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      3.800     1.800     1.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.27522E-02 ppm1      0.983 ppm2      4.643 CV     1
 ASSI {  234}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.38658E-02 ppm1      0.880 ppm2      4.518 CV     1
 ASSI {  235}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      2.100     0.500     0.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.10053E-01 ppm1      0.882 ppm2      4.100 CV     1
 ASSI {  236}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.200     0.600     0.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.91614E-02 ppm1      1.409 ppm2      3.925 CV     1
 OR {  236}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  239}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.24196E-02 ppm1      2.523 ppm2      3.780 CV     1
 ASSI {  240}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.44948E-02 ppm1      2.526 ppm2      3.627 CV     1
 ASSI {  241}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HD2 ))
      3.500     1.600     1.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.19634E-02 ppm1      2.246 ppm2      3.725 CV     1
 ASSI {  245}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak   245 spectrum    1 weight  0.10000E+01 volume  0.88261E-02 ppm1      1.353 ppm2      3.629 CV     1
 ASSI {  246}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HD1 ))
      3.300     1.400     1.400 peak   246 spectrum    1 weight  0.10000E+01 volume  0.35592E-02 ppm1      1.447 ppm2      3.635 CV     1
 ASSI {  247}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HD2 ))
      2.800     1.000     1.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.16046E-02 ppm1      1.448 ppm2      3.720 CV     1
 ASSI {  252}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 4    and name HB1 ))
      2.200     0.600     0.600 peak   252 spectrum    1 weight  0.10000E+01 volume  0.80846E-02 ppm1      1.448 ppm2      2.964 CV     1
 OR {  252}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  254}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.600     0.900     0.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.20048E-02 ppm1      1.929 ppm2      3.277 CV     1
 ASSI {  255}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HD2 ))
      2.200     0.600     0.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.81971E-02 ppm1      1.971 ppm2      3.721 CV     1
 OR {  255}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HD2 ))
 ASSI {  256}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HD1 ))
      2.200     0.600     0.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.97229E-02 ppm1      1.970 ppm2      3.631 CV     1
 OR {  256}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HD1 ))
 ASSI {  259}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.400     1.400 peak   259 spectrum    1 weight  0.10000E+01 volume  0.62057E-03 ppm1      1.653 ppm2      4.363 CV     1
 ASSI {  260}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.15379E-02 ppm1      3.278 ppm2      4.514 CV     1
 ASSI {  261}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.56344E-02 ppm1      2.603 ppm2      5.149 CV     1
 OR {  261}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  263}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HB2 ))
      2.300     0.600     0.600 peak   263 spectrum    1 weight  0.10000E+01 volume  0.75527E-02 ppm1      0.985 ppm2      2.234 CV     1
 ASSI {  265}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HG  ))
      2.300     0.600     0.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.61909E-02 ppm1      0.991 ppm2      1.704 CV     1
 ASSI {  266}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 21   and name HG12))
      1.800     0.400     0.400 peak   266 spectrum    1 weight  0.10000E+01 volume  0.12812E-01 ppm1      1.196 ppm2      1.687 CV     1
 ASSI {  267}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HB  ))
      2.200     0.600     0.600 peak   267 spectrum    1 weight  0.10000E+01 volume  0.76918E-02 ppm1      1.354 ppm2      2.248 CV     1
 ASSI {  268}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.800     0.400     0.400 peak   268 spectrum    1 weight  0.10000E+01 volume  0.95867E-02 ppm1      1.453 ppm2      2.238 CV     1
 ASSI {  269}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HG  ))
      3.100     1.200     1.200 peak   269 spectrum    1 weight  0.10000E+01 volume  0.10413E-02 ppm1      0.866 ppm2      1.706 CV     1
 ASSI {  270}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.26397E-02 ppm1      6.449 ppm2      4.339 CV     1
 ASSI {  271}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.22261E-02 ppm1      6.981 ppm2      4.640 CV     1
 ASSI {  272}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HB1 ))
      2.100     0.600     0.600 peak   272 spectrum    1 weight  0.10000E+01 volume  0.75005E-02 ppm1      6.983 ppm2      2.954 CV     1
 OR {  272}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  273}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 6    and name HB2 ))
      2.800     1.000     1.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.12138E-02 ppm1      6.348 ppm2      3.271 CV     1
 ASSI {  274}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 6    and name HB1 ))
      3.400     1.500     1.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.25938E-02 ppm1      6.349 ppm2      2.715 CV     1
 ASSI {  275}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.56084E-03 ppm1      6.347 ppm2      4.345 CV     1
 ASSI {  276}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.41743E-02 ppm1      6.347 ppm2      4.153 CV     1
 ASSI {  277}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.12371E-02 ppm1      6.446 ppm2      4.155 CV     1
 ASSI {  278}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.900     0.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.25072E-02 ppm1      6.450 ppm2      4.097 CV     1
 ASSI {  279}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.51533E-03 ppm1      6.353 ppm2      8.795 CV     1
 ASSI {  280}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.35797E-03 ppm1      6.351 ppm2      9.210 CV     1
 ASSI {  281}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak   281 spectrum    1 weight  0.10000E+01 volume  0.18604E-02 ppm1      6.346 ppm2      7.632 CV     1
 ASSI {  282}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.75645E-03 ppm1      6.447 ppm2      7.630 CV     1
 ASSI {  285}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HN  ))
      3.400     1.400     1.400 peak   285 spectrum    1 weight  0.10000E+01 volume  0.63040E-03 ppm1      6.981 ppm2      8.162 CV     1
 ASSI {  286}
   (  segid "    " and resid 11   and name HD% )
   (  segid "    " and resid 19   and name HD1%)
      2.500     0.800     0.800 peak   286 spectrum    1 weight  0.10000E+01 volume  0.29251E-02 ppm1      6.348 ppm2      0.875 CV     1
 ASSI {  287}
   (  segid "    " and resid 11   and name HE% )
   (  segid "    " and resid 19   and name HD1%)
      2.900     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.22481E-02 ppm1      6.447 ppm2      0.872 CV     1
 ASSI {  288}
   (  segid "    " and resid 11   and name HE% )
   (  segid "    " and resid 13   and name HB% )
      2.000     0.500     0.500 peak   288 spectrum    1 weight  0.10000E+01 volume  0.88297E-02 ppm1      6.453 ppm2      1.428 CV     1
 ASSI {  289}
   (  segid "    " and resid 11   and name HD% )
   (  segid "    " and resid 13   and name HB% )
      2.700     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.29684E-02 ppm1      6.349 ppm2      1.436 CV     1
 ASSI {  290}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 11   and name HB1 ))
      2.100     0.600     0.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.74786E-02 ppm1      6.347 ppm2      1.922 CV     1
 ASSI {  291}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 11   and name HB2 ))
      2.300     0.700     0.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.65356E-02 ppm1      6.348 ppm2      3.091 CV     1
 ASSI {  292}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 22   and name HB2 ))
      3.200     1.300     1.300 peak   292 spectrum    1 weight  0.10000E+01 volume  0.13197E-02 ppm1      6.349 ppm2      3.633 CV     1
 ASSI {  293}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
      3.400     1.400     1.400 peak   293 spectrum    1 weight  0.10000E+01 volume  0.21542E-02 ppm1      6.445 ppm2      1.918 CV     1
 ASSI {  295}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 22   and name HB2 ))
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.26818E-02 ppm1      6.449 ppm2      3.635 CV     1
 ASSI {  296}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 4    and name HB1 ))
      3.500     1.600     1.600 peak   296 spectrum    1 weight  0.10000E+01 volume  0.15104E-02 ppm1      7.260 ppm2      2.966 CV     1
 OR {  296}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  297}
   (  segid "    " and resid 4    and name HD% )
   (  segid "    " and resid 19   and name HD2%)
      2.900     1.000     1.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.30648E-02 ppm1      6.982 ppm2      0.975 CV     1
 ASSI {  298}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.500     0.800     0.800 peak   298 spectrum    1 weight  0.10000E+01 volume  0.44542E-02 ppm1      6.950 ppm2      1.442 CV     1
 ASSI {  299}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.20051E-02 ppm1      6.969 ppm2      9.191 CV     1
 ASSI {  301}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 22   and name HD2 ))
      2.800     1.000     1.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.26320E-02 ppm1      6.351 ppm2      6.966 CV     1
 ASSI {  302}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 22   and name HD2 ))
      3.300     1.400     1.400 peak   302 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      6.445 ppm2      6.966 CV     1
 ASSI {  303}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 6    and name HB1 ))
      4.600     2.700     1.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.67400E-03 ppm1      6.445 ppm2      2.721 CV     1
 ASSI {  304}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.41410E-03 ppm1      6.348 ppm2      4.097 CV     1
 ASSI {  305}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   305 spectrum    1 weight  0.10000E+01 volume  0.10967E-02 ppm1      7.268 ppm2      3.668 CV     1
 ASSI {  306}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.300     1.300 peak   306 spectrum    1 weight  0.10000E+01 volume  0.81740E-03 ppm1      6.984 ppm2      3.673 CV     1
 ASSI {  307}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      3.500     1.500     1.500 peak   307 spectrum    1 weight  0.10000E+01 volume  0.13398E-02 ppm1      9.230 ppm2      1.356 CV     1
 ASSI {  308}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
      4.400     2.400     1.600 peak   308 spectrum    1 weight  0.10000E+01 volume  0.40464E-03 ppm1      9.233 ppm2      1.247 CV     1
 ASSI {  309}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      5.200     3.300     0.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.10117E-03 ppm1      9.233 ppm2      1.176 CV     1
 ASSI {  310}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.100     2.100     1.900 peak   310 spectrum    1 weight  0.10000E+01 volume  0.31276E-03 ppm1      8.652 ppm2      2.712 CV     1
 OR {  310}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
 ASSI {  311}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.400     1.400 peak   311 spectrum    1 weight  0.10000E+01 volume  0.90477E-03 ppm1      8.304 ppm2      4.275 CV     1
 ASSI {  312}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.200     1.200 peak   312 spectrum    1 weight  0.10000E+01 volume  0.29882E-02 ppm1      8.265 ppm2      4.335 CV     1
 ASSI {  313}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.900     1.900     1.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.55693E-03 ppm1      7.023 ppm2      3.624 CV     1
 ASSI {  314}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      4.000     2.000     2.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.28810E-03 ppm1      7.024 ppm2      4.092 CV     1
 ASSI {  315}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.800     1.800     1.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.40435E-03 ppm1      6.945 ppm2      3.668 CV     1
 ASSI {  316}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.900     1.900     1.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.45961E-03 ppm1      6.951 ppm2      4.418 CV     1
 ASSI {  317}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      6.000     5.000     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.65019E-04 ppm1      6.948 ppm2      4.330 CV     1
 ASSI {  318}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 26   and name HA  ))
      4.000     2.000     2.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.44068E-03 ppm1      7.539 ppm2      3.779 CV     1
 ASSI {  319}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 22   and name HB2 ))
      5.300     3.500     0.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.18383E-03 ppm1      7.542 ppm2      3.638 CV     1
 ASSI {  320}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 22   and name HA  ))
      5.000     3.100     1.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.26053E-03 ppm1      7.542 ppm2      4.109 CV     1
 ASSI {  321}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 23   and name HA  ))
      2.300     0.700     0.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.85809E-02 ppm1      6.968 ppm2      3.634 CV     1
 ASSI {  322}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.700     1.700     1.700 peak   322 spectrum    1 weight  0.10000E+01 volume  0.10433E-02 ppm1      6.968 ppm2      4.095 CV     1
 ASSI {  323}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.900     1.900     1.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.61429E-03 ppm1      6.967 ppm2      4.518 CV     1
 ASSI {  324}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 4    and name HA  ))
      4.200     2.200     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.44167E-03 ppm1      7.268 ppm2      4.654 CV     1
 ASSI {  325}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.300     1.400     1.400 peak   325 spectrum    1 weight  0.10000E+01 volume  0.51201E-03 ppm1      8.301 ppm2      1.441 CV     1
 ASSI {  326}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.800     1.800     1.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.13970E-02 ppm1      8.255 ppm2      2.520 CV     1
 ASSI {  327}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG12))
      3.500     1.600     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.15076E-02 ppm1      8.246 ppm2      1.442 CV     1
 ASSI {  328}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.000     2.000     2.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.24949E-03 ppm1      8.247 ppm2      2.031 CV     1
 ASSI {  329}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.24809E-02 ppm1      8.232 ppm2      1.909 CV     1
 OR {  329}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  330}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.200     1.300     1.300 peak   330 spectrum    1 weight  0.10000E+01 volume  0.14457E-02 ppm1      8.232 ppm2      2.705 CV     1
 OR {  330}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
 ASSI {  331}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.300     2.300     1.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.36399E-03 ppm1      7.986 ppm2      1.911 CV     1
 ASSI {  332}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      3.600     1.600     1.600 peak   332 spectrum    1 weight  0.10000E+01 volume  0.98420E-03 ppm1      7.870 ppm2      1.974 CV     1
 ASSI {  333}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      4.700     2.700     1.300 peak   333 spectrum    1 weight  0.10000E+01 volume  0.29909E-03 ppm1      7.846 ppm2      0.972 CV     1
 ASSI {  334}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      5.800     4.300     0.200 peak   334 spectrum    1 weight  0.10000E+01 volume  0.20422E-03 ppm1      7.845 ppm2      1.445 CV     1
 ASSI {  335}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      5.400     3.600     0.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.15322E-03 ppm1      7.637 ppm2      1.927 CV     1
 ASSI {  336}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.200     1.300     1.300 peak   336 spectrum    1 weight  0.10000E+01 volume  0.90180E-03 ppm1      7.399 ppm2      2.246 CV     1
 ASSI {  337}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.700     0.900     0.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.28638E-02 ppm1      6.951 ppm2      3.944 CV     1
 ASSI {  338}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      3.500     1.500     1.500 peak   338 spectrum    1 weight  0.10000E+01 volume  0.45155E-03 ppm1      6.946 ppm2      3.716 CV     1
 ASSI {  339}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      2.800     1.000     1.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.22845E-02 ppm1      6.951 ppm2      1.966 CV     1
 OR {  339}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI {  340}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.500     2.500     1.500 peak   340 spectrum    1 weight  0.10000E+01 volume  0.56201E-03 ppm1      6.947 ppm2      2.078 CV     1
 ASSI {  341}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.600     1.600     1.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.64912E-03 ppm1      6.952 ppm2      2.236 CV     1
 ASSI {  342}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      3.400     1.500     1.500 peak   342 spectrum    1 weight  0.10000E+01 volume  0.83215E-03 ppm1      6.944 ppm2      2.757 CV     1
 OR {  342}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {  344}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.600     2.700     1.400 peak   344 spectrum    1 weight  0.10000E+01 volume  0.33244E-03 ppm1      8.800 ppm2      7.644 CV     1
 ASSI {  345}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 4    and name HN  ))
      4.200     2.200     1.800 peak   345 spectrum    1 weight  0.10000E+01 volume  0.50920E-03 ppm1      7.262 ppm2      8.158 CV     1
 ASSI {  346}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.47000E-03 ppm1      6.951 ppm2      7.796 CV     1
 ASSI {  347}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 22   and name HE1 ))
      3.400     1.400     1.400 peak   347 spectrum    1 weight  0.10000E+01 volume  0.87628E-03 ppm1      6.349 ppm2      7.539 CV     1
 ASSI {  349}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 22   and name HE1 ))
      5.000     3.200     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.10836E-03 ppm1      6.439 ppm2      7.534 CV     1
 ASSI {  350}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HE1 ))
      4.200     2.200     1.800 peak   350 spectrum    1 weight  0.10000E+01 volume  0.31369E-03 ppm1      6.963 ppm2      7.535 CV     1
 ASSI {  351}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 22   and name HN  ))
      5.200     3.400     0.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.16344E-03 ppm1      6.349 ppm2      7.894 CV     1
 ASSI {  352}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 22   and name HN  ))
      4.600     2.600     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.28214E-03 ppm1      6.445 ppm2      7.913 CV     1
 ASSI {  353}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 9    and name HB2 ))
      3.900     1.900     1.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.16538E-03 ppm1      7.543 ppm2      3.275 CV     1
 ASSI {  354}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.25316E-02 ppm1      7.542 ppm2      3.097 CV     1
 ASSI {  355}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 9    and name HB1 ))
      3.900     1.900     1.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.17046E-03 ppm1      7.543 ppm2      2.390 CV     1
 ASSI {  356}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.300     1.400     1.400 peak   356 spectrum    1 weight  0.10000E+01 volume  0.16979E-02 ppm1      7.541 ppm2      1.923 CV     1
 ASSI {  357}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 26   and name HB1 ))
      3.900     1.900     1.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.12542E-02 ppm1      7.542 ppm2      2.034 CV     1
 ASSI {  358}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 26   and name HB2 ))
      4.100     2.100     1.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.26386E-03 ppm1      7.541 ppm2      2.513 CV     1
 ASSI {  359}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.700     0.900     0.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.20046E-02 ppm1      6.966 ppm2      3.271 CV     1
 ASSI {  360}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.000     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      6.966 ppm2      3.079 CV     1
 ASSI {  361}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.100     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.67874E-02 ppm1      6.966 ppm2      2.717 CV     1
 ASSI {  362}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 23   and name HB  ))
      4.300     2.300     1.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.71410E-03 ppm1      6.967 ppm2      2.247 CV     1
 ASSI {  363}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 23   and name HG2%)
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.36666E-02 ppm1      6.968 ppm2      1.352 CV     1
 ASSI {  364}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 23   and name HG1%)
      3.200     1.300     1.300 peak   364 spectrum    1 weight  0.10000E+01 volume  0.35107E-02 ppm1      6.968 ppm2      1.173 CV     1
 ASSI {  365}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak   365 spectrum    1 weight  0.10000E+01 volume  0.12600E-02 ppm1      6.967 ppm2      2.515 CV     1
 ASSI {  366}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.13444E-02 ppm1      6.967 ppm2      2.023 CV     1
 ASSI {  367}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 19   and name HD1%)
      2.700     0.900     0.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.35252E-02 ppm1      6.968 ppm2      0.870 CV     1
 ASSI {  368}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 19   and name HG  ))
      4.500     2.500     1.500 peak   368 spectrum    1 weight  0.10000E+01 volume  0.29254E-03 ppm1      6.965 ppm2      1.702 CV     1
 ASSI {  369}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 15   and name HB2 ))
      4.100     2.100     1.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.59990E-03 ppm1      7.262 ppm2      2.722 CV     1
 OR {  369}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 15   and name HB1 ))
 ASSI {  370}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 14   and name HA  ))
      3.700     1.700     1.700 peak   370 spectrum    1 weight  0.10000E+01 volume  0.43175E-03 ppm1      6.979 ppm2      4.418 CV     1
 ASSI {  371}
   (  segid "    " and resid 4    and name HE% )
   (  segid "    " and resid 19   and name HD2%)
      4.400     2.400     1.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.29762E-03 ppm1      7.268 ppm2      0.984 CV     1
 ASSI {  372}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 6    and name HB2 ))
      4.900     3.000     1.100 peak   372 spectrum    1 weight  0.10000E+01 volume  0.18348E-03 ppm1      6.446 ppm2      3.276 CV     1
 ASSI {  373}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      2.400     0.700     0.700 peak   373 spectrum    1 weight  0.10000E+01 volume  0.38400E-02 ppm1      3.642 ppm2      4.343 CV     1
 ASSI {  376}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD2 ))
      2.400     0.700     0.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.59848E-02 ppm1      4.352 ppm2      3.720 CV     1
 ASSI {  378}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.200     0.600     0.600 peak   378 spectrum    1 weight  0.10000E+01 volume  0.89772E-02 ppm1      4.109 ppm2      3.639 CV     1
 ASSI {  381}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     2.700     3.300 peak   381 spectrum    1 weight  0.10000E+01 volume  0.44157E-02 ppm1      3.934 ppm2      3.636 CV     1
 ASSI {  382}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.700     1.700     1.700 peak   382 spectrum    1 weight  0.10000E+01 volume  0.16841E-02 ppm1      1.957 ppm2      4.415 CV     1
 OR {  382}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  383}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.100     1.100 peak   383 spectrum    1 weight  0.10000E+01 volume  0.15118E-02 ppm1      2.087 ppm2      4.418 CV     1
 ASSI {  388}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HD1 ))
      2.600     0.900     0.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.40648E-02 ppm1      2.087 ppm2      3.636 CV     1
 ASSI {  389}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HD2 ))
      3.100     1.200     1.200 peak   389 spectrum    1 weight  0.10000E+01 volume  0.45563E-02 ppm1      2.086 ppm2      3.721 CV     1
 ASSI {  391}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.34006E-02 ppm1      1.883 ppm2      3.746 CV     1
 ASSI {  392}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.300     1.300 peak   392 spectrum    1 weight  0.10000E+01 volume  0.10669E-02 ppm1      0.870 ppm2      5.153 CV     1
 ASSI {  394}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 6    and name HA  ))
      3.900     1.900     1.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.61957E-03 ppm1      0.981 ppm2      4.525 CV     1
 ASSI {  395}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 18   and name HB  ))
      2.600     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.31569E-02 ppm1      1.448 ppm2      3.946 CV     1
 ASSI {  396}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 14   and name HD1 ))
      2.900     1.000     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.59522E-02 ppm1      1.409 ppm2      3.635 CV     1
 ASSI {  397}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 14   and name HD2 ))
      3.000     1.200     1.200 peak   397 spectrum    1 weight  0.10000E+01 volume  0.12176E-02 ppm1      1.410 ppm2      3.722 CV     1
 ASSI {  398}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 20   and name HA  ))
      4.200     2.200     1.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.70658E-03 ppm1      1.182 ppm2      4.019 CV     1
 ASSI {  400}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.800     1.800     1.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.39734E-03 ppm1      4.163 ppm2      2.743 CV     1
 ASSI {  401}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.200     1.300     1.300 peak   401 spectrum    1 weight  0.10000E+01 volume  0.30207E-02 ppm1      4.161 ppm2      2.619 CV     1
 ASSI {  402}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
      2.800     1.000     1.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.32087E-02 ppm1      4.027 ppm2      2.476 CV     1
 OR {  402}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  405}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 6    and name HB1 ))
      2.700     0.900     0.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.17309E-02 ppm1      1.929 ppm2      2.709 CV     1
 ASSI {  407}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HE1 ))
      3.600     1.600     1.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.72583E-03 ppm1      1.359 ppm2      2.920 CV     1
 ASSI {  408}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HE2 ))
      3.900     1.900     1.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.44740E-03 ppm1      1.363 ppm2      3.014 CV     1
 ASSI {  409}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 6    and name HB1 ))
      3.600     1.600     1.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.19138E-02 ppm1      0.875 ppm2      2.721 CV     1
 ASSI {  410}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.15845E-02 ppm1      0.820 ppm2      2.538 CV     1
 ASSI {  411}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.400     0.700     0.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.69532E-02 ppm1      4.263 ppm2      1.839 CV     1
 ASSI {  415}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HD2%)
      3.900     1.900     1.900 peak   415 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      4.111 ppm2      0.984 CV     1
 ASSI {  417}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
      4.300     2.300     1.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.52935E-03 ppm1      3.916 ppm2      1.689 CV     1
 ASSI {  418}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
      3.600     1.600     1.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.49816E-03 ppm1      3.913 ppm2      1.189 CV     1
 ASSI {  419}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      4.300     2.300     1.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.73963E-03 ppm1      3.915 ppm2      0.899 CV     1
 ASSI {  421}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      3.700     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.11699E-02 ppm1      3.762 ppm2      0.815 CV     1
 ASSI {  423}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      3.500     1.500     1.500 peak   423 spectrum    1 weight  0.10000E+01 volume  0.22512E-02 ppm1      0.878 ppm2      3.631 CV     1
 ASSI {  424}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 21   and name HG11))
      5.300     3.400     0.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.14948E-03 ppm1      3.953 ppm2      1.191 CV     1
 ASSI {  427}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 19   and name HG  ))
      3.000     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.15576E-02 ppm1      4.028 ppm2      1.700 CV     1
 ASSI {  428}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 19   and name HD1%)
      3.400     1.400     1.400 peak   428 spectrum    1 weight  0.10000E+01 volume  0.17666E-02 ppm1      4.026 ppm2      0.863 CV     1
 ASSI {  429}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG11))
      2.800     1.000     1.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.41084E-02 ppm1      4.152 ppm2      1.137 CV     1
 ASSI {  430}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 19   and name HD1%)
      3.100     1.200     1.200 peak   430 spectrum    1 weight  0.10000E+01 volume  0.10686E-02 ppm1      3.283 ppm2      0.868 CV     1
 ASSI {  432}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 19   and name HD1%)
      3.900     1.900     1.900 peak   432 spectrum    1 weight  0.10000E+01 volume  0.43659E-03 ppm1      2.974 ppm2      0.869 CV     1
 OR {  432}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI {  434}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 8    and name HG1 ))
      3.600     1.700     1.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.44530E-03 ppm1      2.921 ppm2      1.249 CV     1
 ASSI {  435}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 8    and name HG1 ))
      4.400     2.400     1.600 peak   435 spectrum    1 weight  0.10000E+01 volume  0.27940E-03 ppm1      3.017 ppm2      1.251 CV     1
 ASSI {  438}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 8    and name HD1 ))
      3.000     1.100     1.100 peak   438 spectrum    1 weight  0.10000E+01 volume  0.13514E-02 ppm1      3.015 ppm2      1.641 CV     1
 ASSI {  439}
   (( segid "    " and resid 24   and name HG1 ))
   (  segid "    " and resid 23   and name HG1%)
      5.200     3.400     0.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.13669E-03 ppm1      2.629 ppm2      1.171 CV     1
 ASSI {  440}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 23   and name HG1%)
      4.200     2.200     1.800 peak   440 spectrum    1 weight  0.10000E+01 volume  0.30388E-03 ppm1      2.738 ppm2      1.169 CV     1
 ASSI {  441}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
      3.700     1.700     1.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.23991E-03 ppm1      2.736 ppm2      1.356 CV     1
 ASSI {  442}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG2 ))
      2.600     0.800     0.800 peak   442 spectrum    1 weight  0.10000E+01 volume  0.49080E-02 ppm1      1.980 ppm2      1.361 CV     1
 ASSI {  443}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HG2 ))
      2.300     0.700     0.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.64912E-02 ppm1      1.915 ppm2      1.360 CV     1
 ASSI {  444}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HG1 ))
      2.700     0.900     0.900 peak   444 spectrum    1 weight  0.10000E+01 volume  0.31922E-02 ppm1      1.922 ppm2      1.241 CV     1
 ASSI {  449}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HD1%)
      2.600     0.800     0.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.50447E-02 ppm1      1.899 ppm2      0.820 CV     1
 ASSI {  451}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HD2 ))
      2.700     0.900     0.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.50389E-02 ppm1      1.349 ppm2      1.821 CV     1
 ASSI {  453}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HG1 ))
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.16767E-02 ppm1      1.833 ppm2      1.251 CV     1
 ASSI {  456}
   (( segid "    " and resid 8    and name HD1 ))
   (( segid "    " and resid 8    and name HG1 ))
      2.900     1.100     1.100 peak   456 spectrum    1 weight  0.10000E+01 volume  0.29249E-02 ppm1      1.653 ppm2      1.253 CV     1
 ASSI {  457}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HB1 ))
      2.400     0.700     0.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.44336E-02 ppm1      0.981 ppm2      1.450 CV     1
 ASSI {  458}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 19   and name HD2%)
      2.900     1.100     1.100 peak   458 spectrum    1 weight  0.10000E+01 volume  0.93000E-03 ppm1      1.354 ppm2      0.979 CV     1
 ASSI {  460}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HG12))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.27708E-02 ppm1      0.901 ppm2      1.689 CV     1
 ASSI {  461}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HG12))
      2.300     0.700     0.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.60754E-02 ppm1      0.810 ppm2      1.682 CV     1
 ASSI {  462}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 19   and name HD1%)
      2.900     1.000     1.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.63574E-02 ppm1      1.459 ppm2      0.866 CV     1
 ASSI {  463}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 19   and name HD1%)
      2.700     0.900     0.900 peak   463 spectrum    1 weight  0.10000E+01 volume  0.30585E-02 ppm1      1.355 ppm2      0.873 CV     1
 ASSI {  464}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.39806E-02 ppm1      4.212 ppm2      4.515 CV     1
 ASSI {  465}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 6    and name HA  ))
      2.200     0.600     0.600 peak   465 spectrum    1 weight  0.10000E+01 volume  0.57198E-02 ppm1      4.073 ppm2      4.513 CV     1
 ASSI {  466}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 7    and name HD2 ))
      1.800     0.400     0.400 peak   466 spectrum    1 weight  0.10000E+01 volume  0.10947E-01 ppm1      4.073 ppm2      4.209 CV     1
 ASSI {  468}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      4.700     2.700     1.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.17122E-03 ppm1      9.238 ppm2      2.369 CV     1
 ASSI {  469}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.400     1.500     1.500 peak   469 spectrum    1 weight  0.10000E+01 volume  0.73838E-03 ppm1      9.233 ppm2      4.482 CV     1
 ASSI {  470}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HD1 ))
      4.100     2.100     1.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.50149E-03 ppm1      9.233 ppm2      4.061 CV     1
 ASSI {  471}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.45391E-02 ppm1      2.370 ppm2      4.482 CV     1
 ASSI {  472}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.200     1.200 peak   472 spectrum    1 weight  0.10000E+01 volume  0.12875E-02 ppm1      2.119 ppm2      4.483 CV     1
 ASSI {  473}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.600     1.600     1.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.19681E-02 ppm1      1.998 ppm2      4.479 CV     1
 OR {  473}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  474}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HD2 ))
      3.200     1.300     1.300 peak   474 spectrum    1 weight  0.10000E+01 volume  0.37251E-02 ppm1      2.116 ppm2      4.212 CV     1
 ASSI {  476}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HD1 ))
      2.700     0.900     0.900 peak   476 spectrum    1 weight  0.10000E+01 volume  0.24366E-02 ppm1      2.029 ppm2      4.064 CV     1
 OR {  476}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HD1 ))
 ASSI {  477}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 23   and name HG2%)
      2.300     0.700     0.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.43916E-02 ppm1      4.212 ppm2      1.350 CV     1
 ASSI {  478}
   (( segid "    " and resid 7    and name HD1 ))
   (  segid "    " and resid 23   and name HG2%)
      3.200     1.300     1.300 peak   478 spectrum    1 weight  0.10000E+01 volume  0.18200E-02 ppm1      4.074 ppm2      1.346 CV     1
 ASSI {  479}
   (( segid "    " and resid 7    and name HD1 ))
   (  segid "    " and resid 23   and name HG1%)
      3.900     1.900     1.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.92698E-03 ppm1      4.078 ppm2      1.176 CV     1
 ASSI {  481}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 19   and name HD2%)
      4.200     2.200     1.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.61115E-03 ppm1      4.204 ppm2      0.976 CV     1
 ASSI {  482}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 7    and name HB1 ))
      2.500     0.800     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.53196E-02 ppm1      4.077 ppm2      2.116 CV     1
 ASSI {  484}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 7    and name HD2 ))
      3.400     1.500     1.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.18625E-02 ppm1      0.886 ppm2      4.212 CV     1
 ASSI {  486}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG11))
      6.000     4.500     0.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.73252E-04 ppm1      7.869 ppm2      1.120 CV     1
 ASSI {  487}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.500     1.500     1.500 peak   487 spectrum    1 weight  0.10000E+01 volume  0.68549E-03 ppm1      8.140 ppm2      3.905 CV     1
 ASSI {  488}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.200     1.200 peak   488 spectrum    1 weight  0.10000E+01 volume  0.14259E-02 ppm1      8.139 ppm2      3.674 CV     1
 ASSI {  489}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.800     1.000     1.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.28192E-02 ppm1      8.141 ppm2      2.705 CV     1
 OR {  489}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
 ASSI {  490}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      5.300     3.600     0.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.24155E-03 ppm1      8.137 ppm2      2.524 CV     1
 OR {  490}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  491}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.700     0.900     0.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.28171E-02 ppm1      8.143 ppm2      1.909 CV     1
 OR {  491}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  492}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.300     0.700     0.700 peak   492 spectrum    1 weight  0.10000E+01 volume  0.82155E-02 ppm1      3.911 ppm2      1.901 CV     1
 OR {  492}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  493}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.200     1.300     1.300 peak   493 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      3.910 ppm2      2.527 CV     1
 OR {  493}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  494}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.800     0.900     0.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.33678E-02 ppm1      3.910 ppm2      2.236 CV     1
 ASSI {  495}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 19   and name HD2%)
      3.600     1.600     1.600 peak   495 spectrum    1 weight  0.10000E+01 volume  0.71025E-03 ppm1      3.909 ppm2      0.981 CV     1
 ASSI {  499}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.18712E-02 ppm1      1.919 ppm2      2.239 CV     1
 OR {  499}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  500}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.400     0.700     0.700 peak   500 spectrum    1 weight  0.10000E+01 volume  0.67726E-02 ppm1      1.923 ppm2      2.527 CV     1
 OR {  500}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
 OR {  500}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  500}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  502}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 16   and name HG1 ))
      2.900     1.000     1.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.13455E-02 ppm1      0.983 ppm2      2.523 CV     1
 ASSI {  503}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak   503 spectrum    1 weight  0.10000E+01 volume  0.13452E-02 ppm1      6.983 ppm2      3.906 CV     1
 ASSI {  504}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 16   and name HA  ))
      4.000     2.000     2.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.32070E-03 ppm1      7.268 ppm2      3.902 CV     1
 ASSI {  505}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 16   and name HG1 ))
      3.400     1.400     1.400 peak   505 spectrum    1 weight  0.10000E+01 volume  0.14906E-02 ppm1      7.264 ppm2      2.529 CV     1
 OR {  505}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  506}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.900     0.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.32272E-02 ppm1      7.264 ppm2      1.907 CV     1
 OR {  506}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  507}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 16   and name HB2 ))
      3.600     1.600     1.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.86467E-03 ppm1      6.983 ppm2      1.905 CV     1
 OR {  507}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  508}
   (  segid "    " and resid 4    and name HD% )
   (  segid "    " and resid 16   and name HE% )
      3.700     1.700     1.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.50996E-03 ppm1      6.980 ppm2      2.117 CV     1
 ASSI {  509}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 16   and name HG1 ))
      3.700     1.700     1.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.72808E-03 ppm1      6.985 ppm2      2.517 CV     1
 OR {  509}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  510}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
      3.600     1.600     1.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.63076E-03 ppm1      6.982 ppm2      2.242 CV     1
 ASSI {  511}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 19   and name HB1 ))
      4.000     2.000     2.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.55378E-03 ppm1      6.983 ppm2      1.443 CV     1
 ASSI {  513}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      2.700     0.900     0.900 peak   513 spectrum    1 weight  0.10000E+01 volume  0.30360E-02 ppm1      4.025 ppm2      2.252 CV     1
 ASSI {  514}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      3.100     1.200     1.200 peak   514 spectrum    1 weight  0.10000E+01 volume  0.13100E-02 ppm1      2.151 ppm2      3.750 CV     1
 OR {  514}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  516}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak   516 spectrum    1 weight  0.10000E+01 volume  0.10741E-02 ppm1      4.091 ppm2      1.935 CV     1
 ASSI {  517}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.100     1.200     1.200 peak   517 spectrum    1 weight  0.10000E+01 volume  0.20270E-02 ppm1      4.092 ppm2      1.836 CV     1
 ASSI {  518}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      2.400     0.700     0.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.45323E-02 ppm1      2.017 ppm2      3.632 CV     1
 ASSI {  520}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   520 spectrum    1 weight  0.10000E+01 volume  0.24208E-02 ppm1      5.157 ppm2      4.371 CV     1
ASSI
   ( segid "    " and resid 6   and name SG )
   ( segid "    " and resid 9   and name SG )  3.7 0.02 0.02
ASSI
   ( segid "    " and resid 6   and name SG )
   ( segid "    " and resid 26  and name SG )  3.7 0.02 0.02
ASSI
   ( segid "    " and resid 6   and name SG )
   ( segid "    " and resid 22  and name NE2)  3.5 0.02 0.02
ASSI
   ( segid "    " and resid 9   and name SG )
   ( segid "    " and resid 26  and name SG )  3.7 0.02 0.02
ASSI
   ( segid "    " and resid 9   and name SG )
   ( segid "    " and resid 22  and name NE2)  3.5 0.02 0.02
ASSI
   ( segid "    " and resid 26  and name SG )
   ( segid "    " and resid 22  and name NE2)  3.5 0.02 0.02
ASSI
   ( segid "    " and resid 9   and name SG )
   ( segid "    " and resid 6   and name ZN )  2.3 0.02 0.02
ASSI
   ( segid "    " and resid 26  and name SG )
   ( segid "    " and resid 6   and name ZN )  2.3 0.02 0.02
ASSI
   ( segid "    " and resid 22  and name NE2)
   ( segid "    " and resid 6   and name ZN )  2.0 0.02 0.02

! ambiguous NOEs

 ASSI {    8}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.500     1.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.95748E-03 ppm1      9.196 ppm2      4.100 CV     1
 OR {    8}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {    9}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.800     0.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.49126E-02 ppm1      9.194 ppm2      3.629 CV     1
 OR {    9}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {   26}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.800     1.000     1.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.26450E-02 ppm1      8.309 ppm2      2.222 CV     1
 OR {   26}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {   53}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.29170E-02 ppm1      7.871 ppm2      4.144 CV     1
 OR {   53}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {   72}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.500     0.800     0.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.62916E-02 ppm1      7.027 ppm2      2.150 CV     1
 OR {   72}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR {   72}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  111}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.51411E-03 ppm1      7.990 ppm2      9.221 CV     1
 OR {  111}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  132}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.200     1.200 peak   132 spectrum    1 weight  0.10000E+01 volume  0.29527E-02 ppm1      8.264 ppm2      3.275 CV     1
 OR {  132}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  141}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.13150E-02 ppm1      7.990 ppm2      2.381 CV     1
 OR {  141}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  176}
   (( segid "    " and resid 14   and name HD1 ))
   (  segid "    " and resid 13   and name HB% )
      2.900     1.100     1.100 peak   176 spectrum    1 weight  0.10000E+01 volume  0.64829E-02 ppm1      3.646 ppm2      1.411 CV     1
 OR {  176}
   (( segid "    " and resid 14   and name HD1 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  180}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      2.500     0.800     0.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.81811E-02 ppm1      3.637 ppm2      2.245 CV     1
 OR {  180}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  186}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.100     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.98822E-02 ppm1      4.110 ppm2      2.237 CV     1
 OR {  186}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  294}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 22   and name HB2 ))
      2.400     0.700     0.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.44186E-02 ppm1      6.447 ppm2      3.082 CV     1
 OR {  294}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  379}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      4.600     2.600     1.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.54863E-03 ppm1      3.281 ppm2      4.074 CV     1
 OR {  379}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  420}
   (( segid "    " and resid 14   and name HD2 ))
   (  segid "    " and resid 13   and name HB% )
      2.500     0.800     0.800 peak   420 spectrum    1 weight  0.10000E+01 volume  0.36898E-02 ppm1      3.726 ppm2      1.415 CV     1
 OR {  420}
   (( segid "    " and resid 14   and name HD2 ))
   (  segid "    " and resid 18   and name HG2%)
! phi dihedral angles

assign (resid  4   and name C ) (resid  5  and name N)
       (resid  5   and name CA) (resid  5  and name C)  1   -120.00   20.00   2

assign (resid  7   and name C ) (resid  8  and name N)
       (resid  8   and name CA) (resid  8  and name C)  1   -120.00   40.00   2

assign (resid  8   and name C ) (resid  9  and name N)
       (resid  9   and name CA) (resid  9  and name C)  1   -120.00   40.00   2

assign (resid  9   and name C ) (resid  10 and name N)
       (resid  10  and name CA) (resid  10 and name C)  1   -120.00   40.00   2

assign (resid  11  and name C ) (resid  12 and name N)
       (resid  12  and name CA) (resid  12 and name C)  1   -120.00   40.00   2

assign (resid  12  and name C ) (resid  13 and name N)
       (resid  13  and name CA) (resid  13 and name C)  1   -120.00   40.00   2

assign (resid  14  and name C ) (resid  15 and name N)
       (resid  15  and name CA) (resid  15 and name C)  1    -65.00   40.00   2

assign (resid  15  and name C ) (resid  16 and name N)
       (resid  16  and name CA) (resid  16 and name C)  1    -65.00   20.00   2

assign (resid  16  and name C ) (resid  17 and name N)
       (resid  17  and name CA) (resid  17 and name C)  1    -65.00   20.00   2

assign (resid  17  and name C ) (resid  18 and name N)
       (resid  18  and name CA) (resid  18 and name C)  1    -65.00   20.00   2

assign (resid  18  and name C ) (resid  19 and name N)
       (resid  19  and name CA) (resid  19 and name C)  1    -65.00   20.00   2

assign (resid  19  and name C ) (resid  20 and name N)
       (resid  20  and name CA) (resid  20 and name C)  1    -65.00   20.00   2

assign (resid  20  and name C ) (resid  21 and name N)
       (resid  21  and name CA) (resid  21 and name C)  1    -65.00   20.00   2

assign (resid  22  and name C ) (resid  23 and name N)
       (resid  23  and name CA) (resid  23 and name C)  1    -65.00   20.00   2

assign (resid  23  and name C ) (resid  24 and name N)
       (resid  24  and name CA) (resid  24 and name C)  1    -65.00   20.00   2

assign (resid  24  and name C ) (resid  25 and name N)
       (resid  25  and name CA) (resid  25 and name C)  1    -65.00   40.00   2

assign (resid  25  and name C ) (resid  26 and name N)
       (resid  26  and name CA) (resid  26 and name C)  1    -65.00   40.00   2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   SER   1           HA       SER   1 -14.194  -4.662   0.959
    2    HG   SER   1           HG       SER   1 -16.236  -5.297   3.146
    3    H1   SER   1           HT1      SER   1 -13.394  -6.326   2.454
    4    H2   SER   1           HT2      SER   1 -12.383  -5.206   3.229
    5    H3   SER   1           HT3      SER   1 -12.078  -5.646   1.620
    6    HB2  SER   1           HB2      SER   1 -14.253  -3.527   3.761
    7    HB3  SER   1           HB1      SER   1 -15.508  -3.428   2.524
    8    H    SER   2           HN       SER   2 -13.339  -3.197  -0.364
    9    HA   SER   2           HA       SER   2 -11.985  -1.590  -1.219
   10    HG   SER   2           HG       SER   2 -14.297  -0.345   0.829
   11    HB2  SER   2           HB2      SER   2 -12.286  -0.347   1.528
   12    HB3  SER   2           HB1      SER   2 -11.749   0.485   0.068
   13    H    ASP   3           HN       ASP   3 -10.450  -3.473  -1.055
   14    HA   ASP   3           HA       ASP   3  -8.335  -3.054   0.937
   15    HB2  ASP   3           HB2      ASP   3  -8.828  -5.452  -0.847
   16    HB3  ASP   3           HB1      ASP   3  -7.633  -5.341   0.442
   17    H    PHE   4           HN       PHE   4  -7.056  -1.493   0.065
   18    HA   PHE   4           HA       PHE   4  -6.095  -1.785  -2.672
   19    HD1  PHE   4           HD2      PHE   4  -6.429   0.717  -4.105
   20    HD2  PHE   4           HD1      PHE   4  -7.803   0.910  -0.082
   21    HE1  PHE   4           HE2      PHE   4  -8.465   1.868  -4.861
   22    HE2  PHE   4           HE1      PHE   4  -9.845   2.065  -0.832
   23    HZ   PHE   4           HZ       PHE   4 -10.176   2.547  -3.224
   24    HB2  PHE   4           HB2      PHE   4  -5.542   0.322  -0.566
   25    HB3  PHE   4           HB1      PHE   4  -4.918   0.365  -2.209
   26    H    CYS   5           HN       CYS   5  -4.468  -3.183  -2.990
   27    HA   CYS   5           HA       CYS   5  -2.836  -3.893  -0.667
   28    HG   CYS   5           HG       CYS   5  -4.591  -4.531  -4.160
   29    HB2  CYS   5           HB2      CYS   5  -2.265  -5.919  -2.082
   30    HB3  CYS   5           HB1      CYS   5  -3.943  -5.781  -1.564
   31    H    CYS   6           HN       CYS   6  -0.711  -3.745  -0.590
   32    HA   CYS   6           HA       CYS   6   0.702  -2.161  -2.534
   33    HB2  CYS   6           HB2      CYS   6   1.248  -1.888  -0.182
   34    HB3  CYS   6           HB1      CYS   6   1.609  -3.602  -0.025
   35    HA   PRO   7           HA       PRO   7   1.905  -5.843  -4.845
   36    HB2  PRO   7           HB2      PRO   7   3.070  -4.574  -6.906
   37    HB3  PRO   7           HB1      PRO   7   1.313  -4.603  -6.707
   38    HG2  PRO   7           HG2      PRO   7   3.261  -2.441  -6.000
   39    HG3  PRO   7           HG1      PRO   7   1.687  -2.305  -6.806
   40    HD2  PRO   7           HD2      PRO   7   2.061  -1.804  -4.152
   41    HD3  PRO   7           HD1      PRO   7   0.530  -2.394  -4.823
   42    H    LYS   8           HN       LYS   8   3.524  -4.882  -2.623
   43    HA   LYS   8           HA       LYS   8   6.184  -5.580  -3.641
   44    HB2  LYS   8           HB2      LYS   8   5.885  -3.059  -3.358
   45    HB3  LYS   8           HB1      LYS   8   5.765  -3.364  -1.632
   46    HG2  LYS   8           HG2      LYS   8   7.996  -2.678  -2.151
   47    HG3  LYS   8           HG1      LYS   8   8.020  -4.385  -1.696
   48    HD2  LYS   8           HD2      LYS   8   8.202  -5.057  -3.992
   49    HD3  LYS   8           HD1      LYS   8   7.941  -3.403  -4.549
   50    HE2  LYS   8           HE2      LYS   8  10.298  -4.028  -4.676
   51    HE3  LYS   8           HE1      LYS   8  10.041  -2.714  -3.531
   52    HZ1  LYS   8           HZ1      LYS   8  10.214  -5.549  -2.682
   53    HZ2  LYS   8           HZ2      LYS   8  10.333  -4.158  -1.714
   54    HZ3  LYS   8           HZ3      LYS   8  11.573  -4.543  -2.793
   55    H    CYS   9           HN       CYS   9   3.805  -5.588  -1.140
   56    HA   CYS   9           HA       CYS   9   5.041  -7.783   0.218
   57    HB2  CYS   9           HB2      CYS   9   5.160  -6.689   2.431
   58    HB3  CYS   9           HB1      CYS   9   6.263  -5.936   1.285
   59    H    GLN  10           HN       GLN  10   3.568  -8.352   2.219
   60    HA   GLN  10           HA       GLN  10   0.860  -8.296   1.229
   61    HB2  GLN  10           HB2      GLN  10   2.101  -9.558   3.671
   62    HB3  GLN  10           HB1      GLN  10   0.372  -9.594   3.367
   63    HG2  GLN  10           HG2      GLN  10   1.132 -11.638   2.583
   64    HG3  GLN  10           HG1      GLN  10   0.961 -10.660   1.129
   65   HE21  GLN  10          HE21      GLN  10   2.798 -10.060  -0.014
   66   HE22  GLN  10          HE22      GLN  10   4.355 -10.757   0.294
   67    H    TYR  11           HN       TYR  11   0.334  -6.125   1.322
   68    HA   TYR  11           HA       TYR  11  -0.545  -5.250   3.963
   69    HD1  TYR  11           HD1      TYR  11   0.710  -3.426   5.776
   70    HD2  TYR  11           HD2      TYR  11  -0.220  -1.494   2.101
   71    HE1  TYR  11           HE1      TYR  11  -0.077  -1.454   7.016
   72    HE2  TYR  11           HE2      TYR  11  -1.015   0.477   3.330
   73    HH   TYR  11           HH       TYR  11  -0.399   0.935   6.649
   74    HB2  TYR  11           HB2      TYR  11   1.669  -4.189   3.608
   75    HB3  TYR  11           HB1      TYR  11   1.080  -3.493   2.102
   76    H    GLN  12           HN       GLN  12  -2.653  -4.961   3.720
   77    HA   GLN  12           HA       GLN  12  -3.602  -3.728   1.226
   78    HB2  GLN  12           HB2      GLN  12  -5.828  -4.669   1.744
   79    HB3  GLN  12           HB1      GLN  12  -4.608  -5.908   1.528
   80    HG2  GLN  12           HG2      GLN  12  -5.463  -4.932   4.236
   81    HG3  GLN  12           HG1      GLN  12  -6.274  -6.246   3.392
   82   HE21  GLN  12          HE21      GLN  12  -5.214  -8.207   3.124
   83   HE22  GLN  12          HE22      GLN  12  -3.816  -8.633   4.052
   84    H    ALA  13           HN       ALA  13  -4.032  -1.684   1.382
   85    HA   ALA  13           HA       ALA  13  -4.530  -0.462   3.986
   86    HB1  ALA  13           HB1      ALA  13  -2.813   0.506   2.533
   87    HB2  ALA  13           HB2      ALA  13  -4.123   1.647   2.842
   88    HB3  ALA  13           HB3      ALA  13  -4.030   0.804   1.294
   89    HA   PRO  14           HA       PRO  14  -8.866  -0.055   3.114
   90    HB2  PRO  14           HB2      PRO  14  -9.496   1.814   4.968
   91    HB3  PRO  14           HB1      PRO  14  -9.124   0.141   5.395
   92    HG2  PRO  14           HG2      PRO  14  -7.389   2.565   5.552
   93    HG3  PRO  14           HG1      PRO  14  -7.545   1.222   6.698
   94    HD2  PRO  14           HD2      PRO  14  -5.502   1.455   4.894
   95    HD3  PRO  14           HD1      PRO  14  -6.076  -0.096   5.535
   96    H    ASP  15           HN       ASP  15  -6.785   2.765   3.265
   97    HA   ASP  15           HA       ASP  15  -8.609   4.211   1.473
   98    HB2  ASP  15           HB2      ASP  15  -6.405   5.191   3.286
   99    HB3  ASP  15           HB1      ASP  15  -7.182   6.217   2.085
  100    H    MET  16           HN       MET  16  -7.901   4.989  -0.484
  101    HA   MET  16           HA       MET  16  -5.667   3.682  -1.700
  102    HB2  MET  16           HB2      MET  16  -7.733   4.396  -2.917
  103    HB3  MET  16           HB1      MET  16  -7.233   6.068  -2.705
  104    HG2  MET  16           HG2      MET  16  -5.210   5.619  -4.009
  105    HG3  MET  16           HG1      MET  16  -5.734   3.951  -4.231
  106    HE1  MET  16           HE1      MET  16  -4.936   5.757  -6.688
  107    HE2  MET  16           HE2      MET  16  -6.247   5.408  -7.814
  108    HE3  MET  16           HE3      MET  16  -5.539   4.109  -6.854
  109    H    ASP  17           HN       ASP  17  -6.270   6.728  -0.160
  110    HA   ASP  17           HA       ASP  17  -3.933   8.132  -0.815
  111    HB2  ASP  17           HB2      ASP  17  -5.507   8.145   1.777
  112    HB3  ASP  17           HB1      ASP  17  -4.332   9.361   1.300
  113    H    THR  18           HN       THR  18  -4.671   5.996   1.915
  114    HA   THR  18           HA       THR  18  -2.206   5.988   3.178
  115    HB   THR  18           HB       THR  18  -4.265   3.780   2.993
  116    HG1  THR  18           HG1      THR  18  -3.818   5.929   4.811
  117   HG21  THR  18          HG21      THR  18  -3.278   2.883   5.032
  118   HG22  THR  18          HG22      THR  18  -2.039   4.138   5.007
  119   HG23  THR  18          HG23      THR  18  -2.080   2.913   3.739
  120    H    LEU  19           HN       LEU  19  -3.401   3.898   0.559
  121    HA   LEU  19           HA       LEU  19  -1.207   2.184   0.383
  122    HG   LEU  19           HG       LEU  19  -0.945   2.037  -2.689
  123    HB2  LEU  19           HB2      LEU  19  -3.297   1.773  -0.813
  124    HB3  LEU  19           HB1      LEU  19  -3.003   3.166  -1.839
  125   HD11  LEU  19          HD11      LEU  19  -0.676  -0.349  -2.312
  126   HD12  LEU  19          HD12      LEU  19  -2.033  -0.336  -1.186
  127   HD13  LEU  19          HD13      LEU  19  -0.557   0.546  -0.798
  128   HD21  LEU  19          HD21      LEU  19  -3.478   0.458  -3.069
  129   HD22  LEU  19          HD22      LEU  19  -2.104   0.542  -4.171
  130   HD23  LEU  19          HD23      LEU  19  -3.095   1.971  -3.886
  131    H    GLN  20           HN       GLN  20  -1.819   5.247  -1.320
  132    HA   GLN  20           HA       GLN  20   0.478   5.336  -2.886
  133    HB2  GLN  20           HB2      GLN  20  -1.402   6.914  -3.097
  134    HB3  GLN  20           HB1      GLN  20  -0.964   7.645  -1.560
  135    HG2  GLN  20           HG2      GLN  20  -0.138   9.068  -3.243
  136    HG3  GLN  20           HG1      GLN  20   1.255   8.218  -2.579
  137   HE21  GLN  20          HE21      GLN  20  -1.043   6.767  -4.765
  138   HE22  GLN  20          HE22      GLN  20   0.021   6.641  -6.123
  139    H    ILE  21           HN       ILE  21  -0.060   6.625   0.372
  140    HA   ILE  21           HA       ILE  21   2.492   7.682   0.823
  141    HB   ILE  21           HB       ILE  21   0.651   6.459   2.893
  142   HG12  ILE  21          HG12      ILE  21   0.795   9.323   1.923
  143   HG13  ILE  21          HG11      ILE  21  -0.448   8.169   1.447
  144   HG21  ILE  21          HG21      ILE  21   2.882   6.863   3.756
  145   HG22  ILE  21          HG22      ILE  21   1.755   8.037   4.433
  146   HG23  ILE  21          HG23      ILE  21   2.849   8.514   3.136
  147   HD11  ILE  21          HD11      ILE  21  -1.266   9.647   3.170
  148   HD12  ILE  21          HD12      ILE  21   0.060   9.184   4.235
  149   HD13  ILE  21          HD13      ILE  21  -1.162   7.997   3.783
  150    H    HIS  22           HN       HIS  22   1.157   4.485   1.614
  151    HA   HIS  22           HA       HIS  22   3.450   3.459   2.837
  152    HD1  HIS  22           HD1      HIS  22   2.853   0.835   4.556
  153    HD2  HIS  22           HD2      HIS  22   2.801  -0.080   0.497
  154    HE1  HIS  22           HE1      HIS  22   4.024  -1.406   4.306
  155    HB2  HIS  22           HB2      HIS  22   1.308   2.365   3.111
  156    HB3  HIS  22           HB1      HIS  22   1.223   2.019   1.385
  157    H    VAL  23           HN       VAL  23   2.424   3.353  -0.575
  158    HA   VAL  23           HA       VAL  23   4.438   1.574  -1.419
  159    HB   VAL  23           HB       VAL  23   3.039   3.699  -3.060
  160   HG11  VAL  23          HG11      VAL  23   5.060   2.929  -4.160
  161   HG12  VAL  23          HG12      VAL  23   3.637   2.294  -4.987
  162   HG13  VAL  23          HG13      VAL  23   4.575   1.250  -3.918
  163   HG21  VAL  23          HG21      VAL  23   1.584   1.853  -3.784
  164   HG22  VAL  23          HG22      VAL  23   1.456   2.162  -2.052
  165   HG23  VAL  23          HG23      VAL  23   2.391   0.784  -2.636
  166    H    MET  24           HN       MET  24   4.427   5.085  -1.064
  167    HA   MET  24           HA       MET  24   6.992   5.381  -2.336
  168    HB2  MET  24           HB2      MET  24   5.351   7.321  -0.708
  169    HB3  MET  24           HB1      MET  24   6.851   7.731  -1.530
  170    HG2  MET  24           HG2      MET  24   5.761   6.997  -3.666
  171    HG3  MET  24           HG1      MET  24   4.251   6.881  -2.764
  172    HE1  MET  24           HE1      MET  24   6.612  10.791  -3.371
  173    HE2  MET  24           HE2      MET  24   7.065   9.254  -4.107
  174    HE3  MET  24           HE3      MET  24   7.173   9.462  -2.361
  175    H    GLU  25           HN       GLU  25   5.890   4.621   0.812
  176    HA   GLU  25           HA       GLU  25   8.464   5.149   2.048
  177    HB2  GLU  25           HB2      GLU  25   5.942   3.800   3.017
  178    HB3  GLU  25           HB1      GLU  25   7.412   3.863   3.979
  179    HG2  GLU  25           HG2      GLU  25   5.873   6.243   2.975
  180    HG3  GLU  25           HG1      GLU  25   5.813   5.595   4.614
  181    H    CYS  26           HN       CYS  26   6.684   2.569   0.607
  182    HA   CYS  26           HA       CYS  26   8.430   0.463   1.540
  183    HB2  CYS  26           HB2      CYS  26   5.917   0.288   1.244
  184    HB3  CYS  26           HB1      CYS  26   6.190   0.334  -0.488
  185    H    ILE  27           HN       ILE  27  10.177   1.901   0.374
  186    HA   ILE  27           HA       ILE  27  10.349   1.484  -2.492
  187    HB   ILE  27           HB       ILE  27  12.391   2.689  -0.613
  188   HG12  ILE  27          HG12      ILE  27  10.304   4.065  -2.320
  189   HG13  ILE  27          HG11      ILE  27  10.231   3.895  -0.569
  190   HG21  ILE  27          HG21      ILE  27  13.364   1.979  -2.716
  191   HG22  ILE  27          HG22      ILE  27  13.295   3.741  -2.641
  192   HG23  ILE  27          HG23      ILE  27  12.120   2.853  -3.610
  193   HD11  ILE  27          HD11      ILE  27  10.990   6.109  -1.216
  194   HD12  ILE  27          HD12      ILE  27  12.336   5.401  -2.103
  195   HD13  ILE  27          HD13      ILE  27  12.252   5.237  -0.350
  196    H    GLU  28           HN       GLU  28  11.560   0.035   0.407
  197    HA   GLU  28           HA       GLU  28  13.825  -1.245  -0.755
  198    HB2  GLU  28           HB2      GLU  28  12.361  -2.041   1.762
  199    HB3  GLU  28           HB1      GLU  28  14.016  -2.443   1.326
  200    HG2  GLU  28           HG2      GLU  28  12.918   0.256   2.065
  201    HG3  GLU  28           HG1      GLU  28  14.071  -0.726   2.967
  Start of MODEL    2
    1    HA   SER   1           HA       SER   1 -14.838  -4.119   1.740
    2    HG   SER   1           HG       SER   1 -14.535  -0.530   3.661
    3    H1   SER   1           HT1      SER   1 -13.786  -4.407   3.820
    4    H2   SER   1           HT2      SER   1 -12.638  -3.206   3.486
    5    H3   SER   1           HT3      SER   1 -12.615  -4.657   2.618
    6    HB2  SER   1           HB2      SER   1 -15.434  -1.655   1.906
    7    HB3  SER   1           HB1      SER   1 -15.628  -2.579   3.395
    8    H    SER   2           HN       SER   2 -12.896  -1.166   1.753
    9    HA   SER   2           HA       SER   2 -12.047  -1.775  -0.986
   10    HG   SER   2           HG       SER   2 -13.999   0.599   0.038
   11    HB2  SER   2           HB2      SER   2 -11.902   0.831   0.560
   12    HB3  SER   2           HB1      SER   2 -11.428   0.612  -1.124
   13    H    ASP   3           HN       ASP   3 -10.483  -3.337  -0.345
   14    HA   ASP   3           HA       ASP   3  -8.347  -2.360   1.408
   15    HB2  ASP   3           HB2      ASP   3  -9.015  -5.173   0.520
   16    HB3  ASP   3           HB1      ASP   3  -7.665  -4.745   1.567
   17    H    PHE   4           HN       PHE   4  -7.306  -1.070  -0.083
   18    HA   PHE   4           HA       PHE   4  -6.414  -2.048  -2.615
   19    HD1  PHE   4           HD2      PHE   4  -7.021   0.144  -4.362
   20    HD2  PHE   4           HD1      PHE   4  -7.534   1.278  -0.294
   21    HE1  PHE   4           HE2      PHE   4  -9.097   1.322  -4.959
   22    HE2  PHE   4           HE1      PHE   4  -9.610   2.458  -0.883
   23    HZ   PHE   4           HZ       PHE   4 -10.394   2.485  -3.216
   24    HB2  PHE   4           HB2      PHE   4  -5.479   0.354  -1.023
   25    HB3  PHE   4           HB1      PHE   4  -5.160   0.059  -2.729
   26    H    CYS   5           HN       CYS   5  -4.712  -3.317  -2.987
   27    HA   CYS   5           HA       CYS   5  -2.977  -3.908  -0.698
   28    HG   CYS   5           HG       CYS   5  -5.789  -5.096  -1.505
   29    HB2  CYS   5           HB2      CYS   5  -3.376  -5.496  -3.238
   30    HB3  CYS   5           HB1      CYS   5  -2.543  -6.029  -1.779
   31    H    CYS   6           HN       CYS   6  -0.808  -3.681  -0.752
   32    HA   CYS   6           HA       CYS   6   0.419  -2.066  -2.744
   33    HB2  CYS   6           HB2      CYS   6   1.236  -2.027  -0.453
   34    HB3  CYS   6           HB1      CYS   6   1.624  -3.740  -0.524
   35    HA   PRO   7           HA       PRO   7   1.167  -5.485  -5.531
   36    HB2  PRO   7           HB2      PRO   7   2.084  -4.033  -7.597
   37    HB3  PRO   7           HB1      PRO   7   0.375  -4.029  -7.144
   38    HG2  PRO   7           HG2      PRO   7   2.501  -2.010  -6.546
   39    HG3  PRO   7           HG1      PRO   7   0.818  -1.752  -7.043
   40    HD2  PRO   7           HD2      PRO   7   1.698  -1.575  -4.452
   41    HD3  PRO   7           HD1      PRO   7   0.029  -1.973  -4.906
   42    H    LYS   8           HN       LYS   8   3.041  -5.144  -3.511
   43    HA   LYS   8           HA       LYS   8   5.553  -5.688  -4.871
   44    HB2  LYS   8           HB2      LYS   8   5.584  -3.249  -4.514
   45    HB3  LYS   8           HB1      LYS   8   5.283  -3.490  -2.801
   46    HG2  LYS   8           HG2      LYS   8   7.567  -3.078  -2.939
   47    HG3  LYS   8           HG1      LYS   8   7.451  -4.833  -2.788
   48    HD2  LYS   8           HD2      LYS   8   7.635  -4.990  -5.263
   49    HD3  LYS   8           HD1      LYS   8   7.921  -3.249  -5.311
   50    HE2  LYS   8           HE2      LYS   8   9.634  -5.382  -4.054
   51    HE3  LYS   8           HE1      LYS   8  10.050  -4.297  -5.379
   52    HZ1  LYS   8           HZ1      LYS   8   9.873  -2.432  -3.774
   53    HZ2  LYS   8           HZ2      LYS   8  11.102  -3.532  -3.391
   54    HZ3  LYS   8           HZ3      LYS   8   9.643  -3.560  -2.526
   55    H    CYS   9           HN       CYS   9   3.767  -5.377  -1.852
   56    HA   CYS   9           HA       CYS   9   4.972  -7.814  -0.836
   57    HB2  CYS   9           HB2      CYS   9   5.508  -6.782   1.342
   58    HB3  CYS   9           HB1      CYS   9   6.446  -6.053   0.043
   59    H    GLN  10           HN       GLN  10   3.862  -8.285   1.415
   60    HA   GLN  10           HA       GLN  10   1.032  -8.199   0.887
   61    HB2  GLN  10           HB2      GLN  10   2.093 -10.230   1.786
   62    HB3  GLN  10           HB1      GLN  10   2.538  -9.352   3.240
   63    HG2  GLN  10           HG2      GLN  10   0.616 -10.712   3.686
   64    HG3  GLN  10           HG1      GLN  10   0.155  -9.014   3.742
   65   HE21  GLN  10          HE21      GLN  10  -1.450 -11.426   3.312
   66   HE22  GLN  10          HE22      GLN  10  -2.276 -11.172   1.812
   67    H    TYR  11           HN       TYR  11   0.385  -6.127   1.072
   68    HA   TYR  11           HA       TYR  11  -0.102  -5.216   3.771
   69    HD1  TYR  11           HD2      TYR  11  -0.393  -1.606   2.084
   70    HD2  TYR  11           HD1      TYR  11   1.719  -3.256   5.391
   71    HE1  TYR  11           HE2      TYR  11  -1.073   0.308   3.463
   72    HE2  TYR  11           HE1      TYR  11   1.051  -1.338   6.779
   73    HH   TYR  11           HH       TYR  11   0.368   1.115   6.329
   74    HB2  TYR  11           HB2      TYR  11   2.065  -4.134   3.177
   75    HB3  TYR  11           HB1      TYR  11   1.285  -3.404   1.777
   76    H    GLN  12           HN       GLN  12  -2.126  -4.467   3.874
   77    HA   GLN  12           HA       GLN  12  -3.396  -3.578   1.371
   78    HB2  GLN  12           HB2      GLN  12  -4.767  -5.037   3.639
   79    HB3  GLN  12           HB1      GLN  12  -5.480  -4.572   2.102
   80    HG2  GLN  12           HG2      GLN  12  -3.960  -6.103   0.944
   81    HG3  GLN  12           HG1      GLN  12  -3.281  -6.588   2.496
   82   HE21  GLN  12          HE21      GLN  12  -5.969  -6.833   0.338
   83   HE22  GLN  12          HE22      GLN  12  -6.793  -8.099   1.180
   84    H    ALA  13           HN       ALA  13  -4.356  -1.641   1.433
   85    HA   ALA  13           HA       ALA  13  -4.644  -0.338   4.064
   86    HB1  ALA  13           HB1      ALA  13  -3.980   0.965   1.427
   87    HB2  ALA  13           HB2      ALA  13  -2.825   0.618   2.712
   88    HB3  ALA  13           HB3      ALA  13  -4.127   1.776   2.987
   89    HA   PRO  14           HA       PRO  14  -8.936  -0.075   2.945
   90    HB2  PRO  14           HB2      PRO  14  -9.185   2.025   4.970
   91    HB3  PRO  14           HB1      PRO  14  -9.881   0.402   4.952
   92    HG2  PRO  14           HG2      PRO  14  -7.902   1.128   6.648
   93    HG3  PRO  14           HG1      PRO  14  -8.074  -0.523   6.028
   94    HD2  PRO  14           HD2      PRO  14  -6.199   1.643   5.165
   95    HD3  PRO  14           HD1      PRO  14  -5.903  -0.099   5.342
   96    H    ASP  15           HN       ASP  15  -6.915   2.777   3.278
   97    HA   ASP  15           HA       ASP  15  -8.726   4.252   1.497
   98    HB2  ASP  15           HB2      ASP  15  -8.185   5.332   3.671
   99    HB3  ASP  15           HB1      ASP  15  -6.485   5.345   3.210
  100    H    MET  16           HN       MET  16  -7.993   5.135  -0.398
  101    HA   MET  16           HA       MET  16  -5.977   3.692  -1.740
  102    HB2  MET  16           HB2      MET  16  -8.001   4.773  -2.772
  103    HB3  MET  16           HB1      MET  16  -7.196   6.323  -2.587
  104    HG2  MET  16           HG2      MET  16  -5.939   4.069  -4.113
  105    HG3  MET  16           HG1      MET  16  -7.092   5.169  -4.865
  106    HE1  MET  16           HE1      MET  16  -5.223   5.715  -6.699
  107    HE2  MET  16           HE2      MET  16  -4.088   4.644  -5.878
  108    HE3  MET  16           HE3      MET  16  -3.604   6.285  -6.296
  109    H    ASP  17           HN       ASP  17  -6.010   6.952  -0.336
  110    HA   ASP  17           HA       ASP  17  -3.459   7.698  -1.342
  111    HB2  ASP  17           HB2      ASP  17  -5.027   8.762   1.013
  112    HB3  ASP  17           HB1      ASP  17  -3.517   9.463   0.446
  113    H    THR  18           HN       THR  18  -4.574   6.288   1.694
  114    HA   THR  18           HA       THR  18  -2.200   6.282   3.126
  115    HB   THR  18           HB       THR  18  -4.250   4.062   3.127
  116    HG1  THR  18           HG1      THR  18  -4.243   6.670   4.215
  117   HG21  THR  18          HG21      THR  18  -2.225   3.513   4.369
  118   HG22  THR  18          HG22      THR  18  -3.571   3.785   5.476
  119   HG23  THR  18          HG23      THR  18  -2.340   5.030   5.259
  120    H    LEU  19           HN       LEU  19  -3.348   3.994   0.673
  121    HA   LEU  19           HA       LEU  19  -1.215   2.157   0.934
  122    HG   LEU  19           HG       LEU  19  -0.858   1.469  -2.014
  123    HB2  LEU  19           HB2      LEU  19  -3.283   1.573  -0.217
  124    HB3  LEU  19           HB1      LEU  19  -2.948   2.767  -1.459
  125   HD11  LEU  19          HD11      LEU  19  -0.762  -0.862  -1.278
  126   HD12  LEU  19          HD12      LEU  19  -2.147  -0.582  -0.226
  127   HD13  LEU  19          HD13      LEU  19  -0.628   0.260   0.077
  128   HD21  LEU  19          HD21      LEU  19  -2.019  -0.206  -3.316
  129   HD22  LEU  19          HD22      LEU  19  -2.910   1.319  -3.350
  130   HD23  LEU  19          HD23      LEU  19  -3.463  -0.007  -2.324
  131    H    GLN  20           HN       GLN  20  -1.704   4.962  -1.187
  132    HA   GLN  20           HA       GLN  20   0.652   4.623  -2.695
  133    HB2  GLN  20           HB2      GLN  20  -1.341   6.126  -3.229
  134    HB3  GLN  20           HB1      GLN  20  -0.652   7.277  -2.094
  135    HG2  GLN  20           HG2      GLN  20  -0.041   7.862  -4.355
  136    HG3  GLN  20           HG1      GLN  20   1.388   7.381  -3.441
  137   HE21  GLN  20          HE21      GLN  20  -0.956   5.106  -4.693
  138   HE22  GLN  20          HE22      GLN  20   0.079   4.401  -5.884
  139    H    ILE  21           HN       ILE  21  -0.056   6.431   0.262
  140    HA   ILE  21           HA       ILE  21   2.475   7.551   0.680
  141    HB   ILE  21           HB       ILE  21   0.486   6.591   2.752
  142   HG12  ILE  21          HG12      ILE  21   0.939   9.339   1.560
  143   HG13  ILE  21          HG11      ILE  21  -0.407   8.268   1.179
  144   HG21  ILE  21          HG21      ILE  21   2.718   6.877   3.709
  145   HG22  ILE  21          HG22      ILE  21   1.606   8.114   4.295
  146   HG23  ILE  21          HG23      ILE  21   2.795   8.511   3.053
  147   HD11  ILE  21          HD11      ILE  21  -1.206   8.430   3.463
  148   HD12  ILE  21          HD12      ILE  21  -1.050  10.028   2.735
  149   HD13  ILE  21          HD13      ILE  21   0.164   9.457   3.880
  150    H    HIS  22           HN       HIS  22   1.160   4.393   1.661
  151    HA   HIS  22           HA       HIS  22   3.428   3.420   2.964
  152    HD1  HIS  22           HD1      HIS  22   3.462   0.533   4.156
  153    HD2  HIS  22           HD2      HIS  22   2.390  -0.034   0.172
  154    HE1  HIS  22           HE1      HIS  22   4.495  -1.667   3.436
  155    HB2  HIS  22           HB2      HIS  22   1.468   2.115   3.212
  156    HB3  HIS  22           HB1      HIS  22   1.200   2.036   1.473
  157    H    VAL  23           HN       VAL  23   2.490   3.117  -0.461
  158    HA   VAL  23           HA       VAL  23   4.652   1.468  -1.191
  159    HB   VAL  23           HB       VAL  23   3.006   3.331  -2.927
  160   HG11  VAL  23          HG11      VAL  23   3.698   1.877  -4.792
  161   HG12  VAL  23          HG12      VAL  23   4.799   1.030  -3.704
  162   HG13  VAL  23          HG13      VAL  23   5.057   2.737  -4.068
  163   HG21  VAL  23          HG21      VAL  23   1.726   1.310  -3.479
  164   HG22  VAL  23          HG22      VAL  23   1.652   1.681  -1.757
  165   HG23  VAL  23          HG23      VAL  23   2.702   0.387  -2.337
  166    H    MET  24           HN       MET  24   4.364   4.998  -1.130
  167    HA   MET  24           HA       MET  24   6.830   5.456  -2.473
  168    HB2  MET  24           HB2      MET  24   5.220   7.218  -0.626
  169    HB3  MET  24           HB1      MET  24   6.677   7.750  -1.456
  170    HG2  MET  24           HG2      MET  24   5.578   7.178  -3.610
  171    HG3  MET  24           HG1      MET  24   4.099   6.852  -2.709
  172    HE1  MET  24           HE1      MET  24   4.305   8.914  -5.142
  173    HE2  MET  24           HE2      MET  24   3.338  10.251  -4.516
  174    HE3  MET  24           HE3      MET  24   2.809   8.586  -4.267
  175    H    GLU  25           HN       GLU  25   5.935   4.957   0.882
  176    HA   GLU  25           HA       GLU  25   8.710   5.295   1.743
  177    HB2  GLU  25           HB2      GLU  25   6.679   6.163   3.041
  178    HB3  GLU  25           HB1      GLU  25   6.342   4.486   3.436
  179    HG2  GLU  25           HG2      GLU  25   7.512   5.613   5.238
  180    HG3  GLU  25           HG1      GLU  25   8.476   4.296   4.572
  181    H    CYS  26           HN       CYS  26   7.114   3.018   0.193
  182    HA   CYS  26           HA       CYS  26   7.869   0.682   1.739
  183    HB2  CYS  26           HB2      CYS  26   5.713   0.676   0.586
  184    HB3  CYS  26           HB1      CYS  26   6.505   0.975  -0.949
  185    H    ILE  27           HN       ILE  27  10.058   0.705   1.730
  186    HA   ILE  27           HA       ILE  27  11.622   0.926  -0.643
  187    HB   ILE  27           HB       ILE  27  12.303  -0.012   2.142
  188   HG12  ILE  27          HG12      ILE  27  13.864   2.018   1.910
  189   HG13  ILE  27          HG11      ILE  27  12.912   2.430   0.492
  190   HG21  ILE  27          HG21      ILE  27  14.174   0.168  -0.216
  191   HG22  ILE  27          HG22      ILE  27  13.656  -1.315   0.585
  192   HG23  ILE  27          HG23      ILE  27  14.643  -0.141   1.456
  193   HD11  ILE  27          HD11      ILE  27  10.913   2.564   1.871
  194   HD12  ILE  27          HD12      ILE  27  12.173   3.667   2.424
  195   HD13  ILE  27          HD13      ILE  27  11.874   2.162   3.295
  196    H    GLU  28           HN       GLU  28  10.956  -1.849   1.508
  197    HA   GLU  28           HA       GLU  28  11.490  -3.611  -0.774
  198    HB2  GLU  28           HB2      GLU  28  11.362  -4.229   2.183
  199    HB3  GLU  28           HB1      GLU  28  11.634  -5.425   0.923
  200    HG2  GLU  28           HG2      GLU  28  13.636  -3.974   0.253
  201    HG3  GLU  28           HG1      GLU  28  13.431  -3.213   1.829
  Start of MODEL    3
    1    HA   SER   1           HA       SER   1 -14.984  -4.780   1.573
    2    HG   SER   1           HG       SER   1 -15.271  -2.923   3.978
    3    H1   SER   1           HT1      SER   1 -13.177  -6.254   1.958
    4    H2   SER   1           HT2      SER   1 -13.475  -5.402   3.391
    5    H3   SER   1           HT3      SER   1 -12.150  -4.985   2.420
    6    HB2  SER   1           HB2      SER   1 -13.121  -2.531   2.363
    7    HB3  SER   1           HB1      SER   1 -14.841  -2.417   1.993
    8    H    SER   2           HN       SER   2 -12.143  -2.770   0.964
    9    HA   SER   2           HA       SER   2 -12.078  -3.783  -1.800
   10    HG   SER   2           HG       SER   2 -11.375  -2.284  -3.369
   11    HB2  SER   2           HB2      SER   2 -12.835  -1.398  -1.607
   12    HB3  SER   2           HB1      SER   2 -11.291  -1.013  -0.850
   13    H    ASP   3           HN       ASP   3 -10.194  -2.186   0.730
   14    HA   ASP   3           HA       ASP   3  -8.084  -2.456   1.502
   15    HB2  ASP   3           HB2      ASP   3  -8.664  -5.347   0.823
   16    HB3  ASP   3           HB1      ASP   3  -7.405  -4.783   1.917
   17    H    PHE   4           HN       PHE   4  -7.230  -1.247  -0.306
   18    HA   PHE   4           HA       PHE   4  -6.237  -2.428  -2.656
   19    HD1  PHE   4           HD2      PHE   4  -6.900  -0.449  -4.474
   20    HD2  PHE   4           HD1      PHE   4  -7.090   1.223  -0.565
   21    HE1  PHE   4           HE2      PHE   4  -8.927   0.789  -5.106
   22    HE2  PHE   4           HE1      PHE   4  -9.120   2.464  -1.192
   23    HZ   PHE   4           HZ       PHE   4 -10.045   2.252  -3.443
   24    HB2  PHE   4           HB2      PHE   4  -5.188   0.029  -1.231
   25    HB3  PHE   4           HB1      PHE   4  -4.923  -0.391  -2.920
   26    H    CYS   5           HN       CYS   5  -4.439  -3.586  -3.051
   27    HA   CYS   5           HA       CYS   5  -2.899  -4.314  -0.660
   28    HG   CYS   5           HG       CYS   5  -5.576  -5.411  -1.310
   29    HB2  CYS   5           HB2      CYS   5  -3.153  -5.828  -3.264
   30    HB3  CYS   5           HB1      CYS   5  -2.437  -6.415  -1.766
   31    H    CYS   6           HN       CYS   6  -0.755  -4.174  -0.542
   32    HA   CYS   6           HA       CYS   6   0.704  -2.578  -2.389
   33    HB2  CYS   6           HB2      CYS   6   1.353  -2.497  -0.086
   34    HB3  CYS   6           HB1      CYS   6   1.539  -4.243  -0.005
   35    HA   PRO   7           HA       PRO   7   1.877  -5.826  -5.165
   36    HB2  PRO   7           HB2      PRO   7   3.710  -4.030  -6.452
   37    HB3  PRO   7           HB1      PRO   7   2.104  -4.520  -6.986
   38    HG2  PRO   7           HG2      PRO   7   2.752  -1.974  -6.171
   39    HG3  PRO   7           HG1      PRO   7   1.114  -2.651  -6.130
   40    HD2  PRO   7           HD2      PRO   7   3.098  -2.347  -3.909
   41    HD3  PRO   7           HD1      PRO   7   1.338  -2.112  -3.894
   42    H    LYS   8           HN       LYS   8   3.672  -4.980  -2.660
   43    HA   LYS   8           HA       LYS   8   5.997  -6.524  -3.592
   44    HB2  LYS   8           HB2      LYS   8   6.067  -4.268  -1.570
   45    HB3  LYS   8           HB1      LYS   8   7.434  -5.251  -2.066
   46    HG2  LYS   8           HG2      LYS   8   7.149  -4.383  -4.376
   47    HG3  LYS   8           HG1      LYS   8   5.899  -3.299  -3.760
   48    HD2  LYS   8           HD2      LYS   8   7.553  -2.331  -2.205
   49    HD3  LYS   8           HD1      LYS   8   8.792  -3.374  -2.906
   50    HE2  LYS   8           HE2      LYS   8   8.319  -2.320  -5.119
   51    HE3  LYS   8           HE1      LYS   8   7.246  -1.189  -4.295
   52    HZ1  LYS   8           HZ1      LYS   8   9.192  -0.531  -2.915
   53    HZ2  LYS   8           HZ2      LYS   8   9.354  -0.150  -4.555
   54    HZ3  LYS   8           HZ3      LYS   8  10.179  -1.489  -3.909
   55    H    CYS   9           HN       CYS   9   5.047  -5.310  -0.400
   56    HA   CYS   9           HA       CYS   9   5.029  -8.006   0.679
   57    HB2  CYS   9           HB2      CYS   9   4.754  -6.921   2.839
   58    HB3  CYS   9           HB1      CYS   9   6.046  -6.117   1.954
   59    H    GLN  10           HN       GLN  10   3.140  -8.719   1.984
   60    HA   GLN  10           HA       GLN  10   0.674  -8.109   0.619
   61    HB2  GLN  10           HB2      GLN  10   1.219 -10.417   1.415
   62    HB3  GLN  10           HB1      GLN  10   1.060  -9.841   3.069
   63    HG2  GLN  10           HG2      GLN  10  -1.269  -9.277   2.667
   64    HG3  GLN  10           HG1      GLN  10  -1.117  -9.806   0.993
   65   HE21  GLN  10          HE21      GLN  10   0.586 -12.072   1.703
   66   HE22  GLN  10          HE22      GLN  10  -0.465 -13.251   2.418
   67    H    TYR  11           HN       TYR  11   0.796  -5.832   1.181
   68    HA   TYR  11           HA       TYR  11  -0.279  -5.281   3.869
   69    HD1  TYR  11           HD1      TYR  11   0.966  -3.335   5.609
   70    HD2  TYR  11           HD2      TYR  11  -0.341  -1.490   2.001
   71    HE1  TYR  11           HE1      TYR  11   0.125  -1.418   6.898
   72    HE2  TYR  11           HE2      TYR  11  -1.187   0.425   3.281
   73    HH   TYR  11           HH       TYR  11  -2.016   0.765   5.750
   74    HB2  TYR  11           HB2      TYR  11   1.805  -4.068   3.389
   75    HB3  TYR  11           HB1      TYR  11   1.098  -3.403   1.921
   76    H    GLN  12           HN       GLN  12  -2.327  -4.601   4.017
   77    HA   GLN  12           HA       GLN  12  -3.682  -3.858   1.507
   78    HB2  GLN  12           HB2      GLN  12  -4.869  -5.120   3.989
   79    HB3  GLN  12           HB1      GLN  12  -5.748  -4.716   2.520
   80    HG2  GLN  12           HG2      GLN  12  -4.473  -6.329   1.263
   81    HG3  GLN  12           HG1      GLN  12  -3.477  -6.685   2.673
   82   HE21  GLN  12          HE21      GLN  12  -6.564  -7.108   1.159
   83   HE22  GLN  12          HE22      GLN  12  -7.130  -8.358   2.210
   84    H    ALA  13           HN       ALA  13  -4.384  -1.840   1.372
   85    HA   ALA  13           HA       ALA  13  -4.715  -0.306   3.870
   86    HB1  ALA  13           HB1      ALA  13  -3.980   0.734   1.135
   87    HB2  ALA  13           HB2      ALA  13  -2.855   0.487   2.471
   88    HB3  ALA  13           HB3      ALA  13  -4.137   1.691   2.608
   89    HA   PRO  14           HA       PRO  14  -8.988  -0.107   2.567
   90    HB2  PRO  14           HB2      PRO  14  -9.349   1.752   4.791
   91    HB3  PRO  14           HB1      PRO  14 -10.004   0.126   4.585
   92    HG2  PRO  14           HG2      PRO  14  -8.110   0.696   6.426
   93    HG3  PRO  14           HG1      PRO  14  -8.201  -0.875   5.610
   94    HD2  PRO  14           HD2      PRO  14  -6.400   1.455   5.037
   95    HD3  PRO  14           HD1      PRO  14  -6.010  -0.279   5.094
   96    H    ASP  15           HN       ASP  15  -6.907   2.614   3.196
   97    HA   ASP  15           HA       ASP  15  -8.644   4.376   1.609
   98    HB2  ASP  15           HB2      ASP  15  -8.146   5.333   3.749
   99    HB3  ASP  15           HB1      ASP  15  -6.432   4.979   3.578
  100    H    MET  16           HN       MET  16  -7.916   5.314  -0.255
  101    HA   MET  16           HA       MET  16  -5.925   3.879  -1.670
  102    HB2  MET  16           HB2      MET  16  -7.904   4.866  -2.752
  103    HB3  MET  16           HB1      MET  16  -7.288   6.475  -2.407
  104    HG2  MET  16           HG2      MET  16  -5.370   6.076  -3.839
  105    HG3  MET  16           HG1      MET  16  -5.921   4.430  -4.142
  106    HE1  MET  16           HE1      MET  16  -9.068   4.834  -4.426
  107    HE2  MET  16           HE2      MET  16  -8.111   3.829  -5.513
  108    HE3  MET  16           HE3      MET  16  -9.216   5.037  -6.172
  109    H    ASP  17           HN       ASP  17  -5.979   7.082  -0.172
  110    HA   ASP  17           HA       ASP  17  -3.448   7.904  -1.159
  111    HB2  ASP  17           HB2      ASP  17  -5.041   8.819   1.241
  112    HB3  ASP  17           HB1      ASP  17  -3.544   9.582   0.718
  113    H    THR  18           HN       THR  18  -4.512   6.379   1.835
  114    HA   THR  18           HA       THR  18  -2.102   6.214   3.196
  115    HB   THR  18           HB       THR  18  -4.289   4.123   3.118
  116    HG1  THR  18           HG1      THR  18  -4.915   6.355   3.662
  117   HG21  THR  18          HG21      THR  18  -3.524   3.517   5.353
  118   HG22  THR  18          HG22      THR  18  -2.246   4.729   5.268
  119   HG23  THR  18          HG23      THR  18  -2.213   3.332   4.191
  120    H    LEU  19           HN       LEU  19  -3.410   4.072   0.678
  121    HA   LEU  19           HA       LEU  19  -1.350   2.161   0.670
  122    HG   LEU  19           HG       LEU  19  -0.998   1.865  -2.327
  123    HB2  LEU  19           HB2      LEU  19  -3.427   1.807  -0.547
  124    HB3  LEU  19           HB1      LEU  19  -3.073   3.166  -1.598
  125   HD11  LEU  19          HD11      LEU  19  -0.943   0.252  -0.527
  126   HD12  LEU  19          HD12      LEU  19  -1.136  -0.569  -2.077
  127   HD13  LEU  19          HD13      LEU  19  -2.522  -0.369  -1.004
  128   HD21  LEU  19          HD21      LEU  19  -2.306   0.501  -3.921
  129   HD22  LEU  19          HD22      LEU  19  -2.891   2.158  -3.783
  130   HD23  LEU  19          HD23      LEU  19  -3.759   0.850  -2.983
  131    H    GLN  20           HN       GLN  20  -1.762   5.153  -1.190
  132    HA   GLN  20           HA       GLN  20   0.588   4.971  -2.699
  133    HB2  GLN  20           HB2      GLN  20  -0.901   7.437  -1.771
  134    HB3  GLN  20           HB1      GLN  20   0.351   7.426  -3.006
  135    HG2  GLN  20           HG2      GLN  20  -1.019   5.954  -4.387
  136    HG3  GLN  20           HG1      GLN  20  -2.273   5.962  -3.150
  137   HE21  GLN  20          HE21      GLN  20  -1.837   8.797  -2.538
  138   HE22  GLN  20          HE22      GLN  20  -2.561   9.671  -3.844
  139    H    ILE  21           HN       ILE  21  -0.010   6.638   0.392
  140    HA   ILE  21           HA       ILE  21   2.549   7.663   0.801
  141    HB   ILE  21           HB       ILE  21   0.638   6.639   2.911
  142   HG12  ILE  21          HG12      ILE  21   0.990   9.423   1.777
  143   HG13  ILE  21          HG11      ILE  21  -0.348   8.339   1.409
  144   HG21  ILE  21          HG21      ILE  21   1.816   8.173   4.423
  145   HG22  ILE  21          HG22      ILE  21   2.958   8.555   3.134
  146   HG23  ILE  21          HG23      ILE  21   2.885   6.920   3.794
  147   HD11  ILE  21          HD11      ILE  21  -0.987  10.014   3.037
  148   HD12  ILE  21          HD12      ILE  21   0.307   9.484   4.112
  149   HD13  ILE  21          HD13      ILE  21  -1.036   8.399   3.746
  150    H    HIS  22           HN       HIS  22   1.198   4.507   1.736
  151    HA   HIS  22           HA       HIS  22   3.472   3.460   2.964
  152    HD1  HIS  22           HD1      HIS  22   3.281   0.751   4.334
  153    HD2  HIS  22           HD2      HIS  22   2.536  -0.061   0.319
  154    HE1  HIS  22           HE1      HIS  22   4.324  -1.503   3.853
  155    HB2  HIS  22           HB2      HIS  22   1.405   2.262   3.165
  156    HB3  HIS  22           HB1      HIS  22   1.259   2.095   1.418
  157    H    VAL  23           HN       VAL  23   2.435   3.187  -0.447
  158    HA   VAL  23           HA       VAL  23   4.603   1.604  -1.269
  159    HB   VAL  23           HB       VAL  23   2.949   3.518  -2.937
  160   HG11  VAL  23          HG11      VAL  23   4.714   1.225  -3.791
  161   HG12  VAL  23          HG12      VAL  23   5.026   2.939  -4.064
  162   HG13  VAL  23          HG13      VAL  23   3.653   2.157  -4.849
  163   HG21  VAL  23          HG21      VAL  23   1.588   1.838  -1.829
  164   HG22  VAL  23          HG22      VAL  23   2.644   0.559  -2.432
  165   HG23  VAL  23          HG23      VAL  23   1.677   1.513  -3.559
  166    H    MET  24           HN       MET  24   4.231   5.115  -1.071
  167    HA   MET  24           HA       MET  24   6.565   5.863  -2.441
  168    HB2  MET  24           HB2      MET  24   5.179   7.217  -0.119
  169    HB3  MET  24           HB1      MET  24   6.454   7.956  -1.077
  170    HG2  MET  24           HG2      MET  24   5.079   7.900  -3.044
  171    HG3  MET  24           HG1      MET  24   3.827   7.001  -2.188
  172    HE1  MET  24           HE1      MET  24   2.030  10.410  -2.647
  173    HE2  MET  24           HE2      MET  24   1.904   8.656  -2.797
  174    HE3  MET  24           HE3      MET  24   3.047   9.546  -3.799
  175    H    GLU  25           HN       GLU  25   6.041   4.825   0.878
  176    HA   GLU  25           HA       GLU  25   8.912   5.115   1.466
  177    HB2  GLU  25           HB2      GLU  25   7.059   5.949   3.030
  178    HB3  GLU  25           HB1      GLU  25   6.727   4.258   3.366
  179    HG2  GLU  25           HG2      GLU  25   8.099   4.913   5.110
  180    HG3  GLU  25           HG1      GLU  25   9.197   4.092   4.003
  181    H    CYS  26           HN       CYS  26   7.092   2.911   0.004
  182    HA   CYS  26           HA       CYS  26   7.472   0.625   1.676
  183    HB2  CYS  26           HB2      CYS  26   5.438   0.773   0.430
  184    HB3  CYS  26           HB1      CYS  26   6.314   0.914  -1.086
  185    H    ILE  27           HN       ILE  27   9.718   0.388   1.820
  186    HA   ILE  27           HA       ILE  27  10.919  -0.936  -0.497
  187    HB   ILE  27           HB       ILE  27  12.876  -1.325   0.982
  188   HG12  ILE  27          HG12      ILE  27  11.294   0.297   2.987
  189   HG13  ILE  27          HG11      ILE  27  11.680  -1.415   3.124
  190   HG21  ILE  27          HG21      ILE  27  11.928   1.532   0.829
  191   HG22  ILE  27          HG22      ILE  27  12.796   0.646  -0.425
  192   HG23  ILE  27          HG23      ILE  27  13.595   1.021   1.103
  193   HD11  ILE  27          HD11      ILE  27  13.145  -0.102   4.514
  194   HD12  ILE  27          HD12      ILE  27  13.646   0.860   3.124
  195   HD13  ILE  27          HD13      ILE  27  14.064  -0.852   3.208
  196    H    GLU  28           HN       GLU  28   8.986  -1.496   2.182
  197    HA   GLU  28           HA       GLU  28   9.404  -4.393   2.130
  198    HB2  GLU  28           HB2      GLU  28   8.005  -2.541   4.054
  199    HB3  GLU  28           HB1      GLU  28   7.757  -4.279   4.103
  200    HG2  GLU  28           HG2      GLU  28  10.469  -3.009   4.303
  201    HG3  GLU  28           HG1      GLU  28   9.453  -3.346   5.705
  Start of MODEL    4
    1    HA   SER   1           HA       SER   1 -13.821  -3.605  -3.722
    2    HG   SER   1           HG       SER   1 -16.133  -4.692  -1.346
    3    H1   SER   1           HT1      SER   1 -12.102  -5.236  -3.134
    4    H2   SER   1           HT2      SER   1 -11.503  -4.162  -1.965
    5    H3   SER   1           HT3      SER   1 -11.480  -3.733  -3.609
    6    HB2  SER   1           HB2      SER   1 -14.259  -5.497  -2.172
    7    HB3  SER   1           HB1      SER   1 -13.804  -4.471  -0.814
    8    H    SER   2           HN       SER   2 -13.605  -2.788  -0.351
    9    HA   SER   2           HA       SER   2 -13.117   0.024  -1.049
   10    HG   SER   2           HG       SER   2 -13.366   1.334   0.874
   11    HB2  SER   2           HB2      SER   2 -15.181  -0.658   0.305
   12    HB3  SER   2           HB1      SER   2 -14.075  -1.059   1.615
   13    H    ASP   3           HN       ASP   3 -11.047  -1.700  -1.234
   14    HA   ASP   3           HA       ASP   3  -9.195  -0.867   0.810
   15    HB2  ASP   3           HB2      ASP   3  -8.568  -3.077   1.529
   16    HB3  ASP   3           HB1      ASP   3 -10.314  -2.947   1.722
   17    H    PHE   4           HN       PHE   4  -7.010  -1.333   0.187
   18    HA   PHE   4           HA       PHE   4  -6.680  -2.249  -2.586
   19    HD1  PHE   4           HD1      PHE   4  -7.467   1.355  -0.959
   20    HD2  PHE   4           HD2      PHE   4  -6.499  -0.188  -4.804
   21    HE1  PHE   4           HE1      PHE   4  -9.246   2.734  -1.953
   22    HE2  PHE   4           HE2      PHE   4  -8.273   1.188  -5.808
   23    HZ   PHE   4           HZ       PHE   4  -9.662   2.622  -4.399
   24    HB2  PHE   4           HB2      PHE   4  -5.379   0.193  -1.348
   25    HB3  PHE   4           HB1      PHE   4  -4.995  -0.468  -2.935
   26    H    CYS   5           HN       CYS   5  -4.424  -2.921  -3.053
   27    HA   CYS   5           HA       CYS   5  -3.029  -3.828  -0.617
   28    HG   CYS   5           HG       CYS   5  -1.712  -7.188  -2.702
   29    HB2  CYS   5           HB2      CYS   5  -4.282  -5.694  -1.601
   30    HB3  CYS   5           HB1      CYS   5  -3.503  -5.416  -3.153
   31    H    CYS   6           HN       CYS   6  -0.803  -3.841  -0.685
   32    HA   CYS   6           HA       CYS   6   0.462  -2.222  -2.699
   33    HB2  CYS   6           HB2      CYS   6   1.197  -2.145  -0.341
   34    HB3  CYS   6           HB1      CYS   6   1.688  -3.833  -0.443
   35    HA   PRO   7           HA       PRO   7   0.835  -5.779  -5.326
   36    HB2  PRO   7           HB2      PRO   7   1.965  -4.549  -7.445
   37    HB3  PRO   7           HB1      PRO   7   0.265  -4.329  -7.016
   38    HG2  PRO   7           HG2      PRO   7   2.604  -2.552  -6.442
   39    HG3  PRO   7           HG1      PRO   7   0.982  -2.115  -7.008
   40    HD2  PRO   7           HD2      PRO   7   1.751  -1.887  -4.415
   41    HD3  PRO   7           HD1      PRO   7   0.079  -2.235  -4.898
   42    H    LYS   8           HN       LYS   8   3.077  -5.176  -3.355
   43    HA   LYS   8           HA       LYS   8   5.152  -6.579  -4.859
   44    HB2  LYS   8           HB2      LYS   8   5.631  -4.100  -4.899
   45    HB3  LYS   8           HB1      LYS   8   5.819  -4.185  -3.152
   46    HG2  LYS   8           HG2      LYS   8   7.611  -5.876  -3.490
   47    HG3  LYS   8           HG1      LYS   8   7.482  -5.591  -5.226
   48    HD2  LYS   8           HD2      LYS   8   7.979  -3.199  -4.823
   49    HD3  LYS   8           HD1      LYS   8   8.218  -3.572  -3.117
   50    HE2  LYS   8           HE2      LYS   8  10.363  -3.514  -4.156
   51    HE3  LYS   8           HE1      LYS   8   9.982  -5.195  -3.790
   52    HZ1  LYS   8           HZ1      LYS   8   9.590  -3.932  -6.452
   53    HZ2  LYS   8           HZ2      LYS   8   9.414  -5.578  -6.069
   54    HZ3  LYS   8           HZ3      LYS   8  10.943  -4.858  -6.019
   55    H    CYS   9           HN       CYS   9   3.764  -5.616  -1.788
   56    HA   CYS   9           HA       CYS   9   5.067  -7.909  -0.530
   57    HB2  CYS   9           HB2      CYS   9   5.640  -6.636   1.459
   58    HB3  CYS   9           HB1      CYS   9   6.388  -5.882   0.058
   59    H    GLN  10           HN       GLN  10   4.067  -8.101   1.819
   60    HA   GLN  10           HA       GLN  10   1.228  -8.393   1.343
   61    HB2  GLN  10           HB2      GLN  10   3.063  -9.283   3.553
   62    HB3  GLN  10           HB1      GLN  10   1.321  -9.447   3.679
   63    HG2  GLN  10           HG2      GLN  10   2.287 -11.532   2.975
   64    HG3  GLN  10           HG1      GLN  10   1.318 -10.858   1.670
   65   HE21  GLN  10          HE21      GLN  10   2.304 -10.263  -0.223
   66   HE22  GLN  10          HE22      GLN  10   3.955 -10.638  -0.588
   67    H    TYR  11           HN       TYR  11   0.559  -6.234   1.338
   68    HA   TYR  11           HA       TYR  11  -0.117  -5.254   3.965
   69    HD1  TYR  11           HD2      TYR  11  -0.171  -1.688   2.033
   70    HD2  TYR  11           HD1      TYR  11   1.377  -3.175   5.712
   71    HE1  TYR  11           HE2      TYR  11  -1.013   0.312   3.194
   72    HE2  TYR  11           HE1      TYR  11   0.546  -1.179   6.876
   73    HH   TYR  11           HH       TYR  11  -1.698   0.918   5.569
   74    HB2  TYR  11           HB2      TYR  11   2.062  -4.154   3.589
   75    HB3  TYR  11           HB1      TYR  11   1.472  -3.509   2.062
   76    H    GLN  12           HN       GLN  12  -2.124  -4.430   3.916
   77    HA   GLN  12           HA       GLN  12  -3.130  -3.477   1.330
   78    HB2  GLN  12           HB2      GLN  12  -5.306  -4.399   1.791
   79    HB3  GLN  12           HB1      GLN  12  -4.117  -5.680   1.945
   80    HG2  GLN  12           HG2      GLN  12  -5.369  -6.116   3.778
   81    HG3  GLN  12           HG1      GLN  12  -4.220  -4.983   4.489
   82   HE21  GLN  12          HE21      GLN  12  -6.790  -4.036   2.307
   83   HE22  GLN  12          HE22      GLN  12  -7.720  -3.173   3.483
   84    H    ALA  13           HN       ALA  13  -4.620  -1.744   1.416
   85    HA   ALA  13           HA       ALA  13  -4.580  -0.240   3.948
   86    HB1  ALA  13           HB1      ALA  13  -4.138   1.808   2.720
   87    HB2  ALA  13           HB2      ALA  13  -4.101   0.910   1.201
   88    HB3  ALA  13           HB3      ALA  13  -2.861   0.629   2.424
   89    HA   PRO  14           HA       PRO  14  -8.967   0.060   3.167
   90    HB2  PRO  14           HB2      PRO  14  -8.877   2.367   4.994
   91    HB3  PRO  14           HB1      PRO  14  -9.763   0.847   5.149
   92    HG2  PRO  14           HG2      PRO  14  -7.635   1.395   6.684
   93    HG3  PRO  14           HG1      PRO  14  -7.971  -0.250   6.116
   94    HD2  PRO  14           HD2      PRO  14  -5.988   1.743   5.086
   95    HD3  PRO  14           HD1      PRO  14  -5.807  -0.009   5.322
   96    H    ASP  15           HN       ASP  15  -6.990   2.995   3.326
   97    HA   ASP  15           HA       ASP  15  -8.705   4.246   1.297
   98    HB2  ASP  15           HB2      ASP  15  -6.641   5.422   3.168
   99    HB3  ASP  15           HB1      ASP  15  -7.415   6.335   1.878
  100    H    MET  16           HN       MET  16  -7.896   4.904  -0.662
  101    HA   MET  16           HA       MET  16  -5.586   3.603  -1.669
  102    HB2  MET  16           HB2      MET  16  -7.535   4.322  -3.054
  103    HB3  MET  16           HB1      MET  16  -7.024   5.991  -2.845
  104    HG2  MET  16           HG2      MET  16  -4.933   5.505  -3.989
  105    HG3  MET  16           HG1      MET  16  -5.415   3.818  -4.170
  106    HE1  MET  16           HE1      MET  16  -4.469   5.648  -6.601
  107    HE2  MET  16           HE2      MET  16  -5.650   5.190  -7.827
  108    HE3  MET  16           HE3      MET  16  -4.951   3.960  -6.774
  109    H    ASP  17           HN       ASP  17  -6.160   6.691  -0.201
  110    HA   ASP  17           HA       ASP  17  -3.798   8.040  -0.874
  111    HB2  ASP  17           HB2      ASP  17  -5.214   8.166   1.796
  112    HB3  ASP  17           HB1      ASP  17  -4.181   9.402   1.088
  113    H    THR  18           HN       THR  18  -4.562   6.070   1.976
  114    HA   THR  18           HA       THR  18  -2.054   6.050   3.160
  115    HB   THR  18           HB       THR  18  -4.017   3.751   3.218
  116    HG1  THR  18           HG1      THR  18  -5.191   4.884   4.682
  117   HG21  THR  18          HG21      THR  18  -2.020   4.765   5.244
  118   HG22  THR  18          HG22      THR  18  -1.877   3.288   4.292
  119   HG23  THR  18          HG23      THR  18  -3.154   3.440   5.500
  120    H    LEU  19           HN       LEU  19  -3.417   3.939   0.671
  121    HA   LEU  19           HA       LEU  19  -1.373   2.054   0.502
  122    HG   LEU  19           HG       LEU  19  -1.085   1.868  -2.509
  123    HB2  LEU  19           HB2      LEU  19  -3.484   1.813  -0.691
  124    HB3  LEU  19           HB1      LEU  19  -3.089   3.190  -1.705
  125   HD11  LEU  19          HD11      LEU  19  -1.004   0.247  -0.692
  126   HD12  LEU  19          HD12      LEU  19  -1.189  -0.555  -2.252
  127   HD13  LEU  19          HD13      LEU  19  -2.578  -0.385  -1.179
  128   HD21  LEU  19          HD21      LEU  19  -3.845   0.805  -3.071
  129   HD22  LEU  19          HD22      LEU  19  -2.420   0.525  -4.072
  130   HD23  LEU  19          HD23      LEU  19  -3.058   2.159  -3.880
  131    H    GLN  20           HN       GLN  20  -1.778   5.056  -1.386
  132    HA   GLN  20           HA       GLN  20   0.644   4.810  -2.793
  133    HB2  GLN  20           HB2      GLN  20  -0.966   7.287  -2.143
  134    HB3  GLN  20           HB1      GLN  20   0.360   7.227  -3.298
  135    HG2  GLN  20           HG2      GLN  20  -0.915   5.497  -4.563
  136    HG3  GLN  20           HG1      GLN  20  -2.270   5.775  -3.471
  137   HE21  GLN  20          HE21      GLN  20  -3.403   7.714  -3.597
  138   HE22  GLN  20          HE22      GLN  20  -3.285   8.763  -4.973
  139    H    ILE  21           HN       ILE  21  -0.142   6.419   0.257
  140    HA   ILE  21           HA       ILE  21   2.348   7.614   0.737
  141    HB   ILE  21           HB       ILE  21   0.396   6.465   2.744
  142   HG12  ILE  21          HG12      ILE  21   0.807   9.300   1.761
  143   HG13  ILE  21          HG11      ILE  21  -0.524   8.245   1.294
  144   HG21  ILE  21          HG21      ILE  21   1.508   7.911   4.386
  145   HG22  ILE  21          HG22      ILE  21   2.688   8.387   3.165
  146   HG23  ILE  21          HG23      ILE  21   2.622   6.714   3.723
  147   HD11  ILE  21          HD11      ILE  21  -1.293   8.207   3.617
  148   HD12  ILE  21          HD12      ILE  21  -1.219   9.850   2.978
  149   HD13  ILE  21          HD13      ILE  21   0.040   9.267   4.069
  150    H    HIS  22           HN       HIS  22   1.139   4.380   1.648
  151    HA   HIS  22           HA       HIS  22   3.494   3.503   2.894
  152    HD1  HIS  22           HD1      HIS  22   3.470   0.625   4.293
  153    HD2  HIS  22           HD2      HIS  22   2.571   0.002   0.278
  154    HE1  HIS  22           HE1      HIS  22   4.533  -1.590   3.650
  155    HB2  HIS  22           HB2      HIS  22   1.565   2.196   3.291
  156    HB3  HIS  22           HB1      HIS  22   1.230   2.020   1.572
  157    H    VAL  23           HN       VAL  23   2.463   3.303  -0.503
  158    HA   VAL  23           HA       VAL  23   4.602   1.658  -1.331
  159    HB   VAL  23           HB       VAL  23   3.030   3.625  -3.019
  160   HG11  VAL  23          HG11      VAL  23   5.103   2.941  -4.107
  161   HG12  VAL  23          HG12      VAL  23   3.711   2.211  -4.908
  162   HG13  VAL  23          HG13      VAL  23   4.706   1.244  -3.818
  163   HG21  VAL  23          HG21      VAL  23   1.597   1.982  -1.899
  164   HG22  VAL  23          HG22      VAL  23   2.591   0.674  -2.545
  165   HG23  VAL  23          HG23      VAL  23   1.664   1.701  -3.639
  166    H    MET  24           HN       MET  24   4.323   5.131  -0.896
  167    HA   MET  24           HA       MET  24   6.774   5.823  -2.163
  168    HB2  MET  24           HB2      MET  24   5.267   7.238   0.050
  169    HB3  MET  24           HB1      MET  24   6.625   7.919  -0.833
  170    HG2  MET  24           HG2      MET  24   3.954   7.150  -1.980
  171    HG3  MET  24           HG1      MET  24   4.537   8.786  -1.678
  172    HE1  MET  24           HE1      MET  24   3.342   7.876  -4.451
  173    HE2  MET  24           HE2      MET  24   4.492   8.582  -5.586
  174    HE3  MET  24           HE3      MET  24   3.972   9.500  -4.173
  175    H    GLU  25           HN       GLU  25   5.892   4.790   1.066
  176    HA   GLU  25           HA       GLU  25   8.566   5.065   2.134
  177    HB2  GLU  25           HB2      GLU  25   6.228   3.512   3.263
  178    HB3  GLU  25           HB1      GLU  25   7.659   4.044   4.133
  179    HG2  GLU  25           HG2      GLU  25   6.981   6.339   3.952
  180    HG3  GLU  25           HG1      GLU  25   5.631   5.897   2.906
  181    H    CYS  26           HN       CYS  26   6.989   2.883   0.155
  182    HA   CYS  26           HA       CYS  26   8.283   0.495   1.188
  183    HB2  CYS  26           HB2      CYS  26   5.847   0.521   0.578
  184    HB3  CYS  26           HB1      CYS  26   6.319   0.775  -1.097
  185    H    ILE  27           HN       ILE  27  10.101  -0.215   0.367
  186    HA   ILE  27           HA       ILE  27  11.420   0.945  -1.843
  187    HB   ILE  27           HB       ILE  27  12.976  -0.999  -1.678
  188   HG12  ILE  27          HG12      ILE  27  11.125  -1.854   0.561
  189   HG13  ILE  27          HG11      ILE  27  11.342  -2.695  -0.970
  190   HG21  ILE  27          HG21      ILE  27  13.299   1.036  -0.357
  191   HG22  ILE  27          HG22      ILE  27  13.876  -0.394   0.499
  192   HG23  ILE  27          HG23      ILE  27  12.336   0.341   0.946
  193   HD11  ILE  27          HD11      ILE  27  13.677  -3.121  -0.393
  194   HD12  ILE  27          HD12      ILE  27  12.568  -3.798   0.799
  195   HD13  ILE  27          HD13      ILE  27  13.439  -2.305   1.149
  196    H    GLU  28           HN       GLU  28  11.507   0.366  -3.970
  197    HA   GLU  28           HA       GLU  28   9.828  -1.903  -4.795
  198    HB2  GLU  28           HB2      GLU  28   9.092   0.675  -5.167
  199    HB3  GLU  28           HB1      GLU  28  10.038   0.424  -6.625
  200    HG2  GLU  28           HG2      GLU  28   7.747  -1.329  -5.769
  201    HG3  GLU  28           HG1      GLU  28   7.602   0.019  -6.891
  Start of MODEL    5
    1    HA   SER   1           HA       SER   1  -8.591  -5.328   4.063
    2    HG   SER   1           HG       SER   1  -9.677  -6.021   6.755
    3    H1   SER   1           HT1      SER   1 -10.469  -3.057   4.271
    4    H2   SER   1           HT2      SER   1  -8.940  -2.985   3.555
    5    H3   SER   1           HT3      SER   1  -9.081  -3.310   5.212
    6    HB2  SER   1           HB2      SER   1 -11.502  -5.223   4.890
    7    HB3  SER   1           HB1      SER   1 -10.452  -6.643   4.906
    8    H    SER   2           HN       SER   2  -8.451  -6.147   2.101
    9    HA   SER   2           HA       SER   2  -8.760  -6.478  -0.119
   10    HG   SER   2           HG       SER   2 -11.118  -8.909   0.978
   11    HB2  SER   2           HB2      SER   2 -11.628  -6.739   0.811
   12    HB3  SER   2           HB1      SER   2 -11.026  -7.274  -0.760
   13    H    ASP   3           HN       ASP   3  -8.688  -3.747   0.667
   14    HA   ASP   3           HA       ASP   3 -10.479  -2.488  -1.296
   15    HB2  ASP   3           HB2      ASP   3  -8.737  -1.196   0.821
   16    HB3  ASP   3           HB1      ASP   3  -9.820  -0.345  -0.275
   17    H    PHE   4           HN       PHE   4  -7.191  -1.875  -0.127
   18    HA   PHE   4           HA       PHE   4  -6.202  -2.063  -2.888
   19    HD1  PHE   4           HD2      PHE   4  -6.007   0.379  -4.450
   20    HD2  PHE   4           HD1      PHE   4  -7.458   1.146  -0.522
   21    HE1  PHE   4           HE2      PHE   4  -7.703   1.900  -5.379
   22    HE2  PHE   4           HE1      PHE   4  -9.156   2.666  -1.446
   23    HZ   PHE   4           HZ       PHE   4  -9.282   3.045  -3.876
   24    HB2  PHE   4           HB2      PHE   4  -5.387   0.016  -0.839
   25    HB3  PHE   4           HB1      PHE   4  -4.683  -0.178  -2.439
   26    H    CYS   5           HN       CYS   5  -4.058  -2.859  -3.064
   27    HA   CYS   5           HA       CYS   5  -2.903  -3.894  -0.565
   28    HG   CYS   5           HG       CYS   5  -2.479  -6.955  -0.148
   29    HB2  CYS   5           HB2      CYS   5  -4.207  -5.690  -1.690
   30    HB3  CYS   5           HB1      CYS   5  -3.193  -5.502  -3.115
   31    H    CYS   6           HN       CYS   6  -0.665  -4.111  -0.542
   32    HA   CYS   6           HA       CYS   6   0.746  -2.521  -2.504
   33    HB2  CYS   6           HB2      CYS   6   1.358  -2.267  -0.165
   34    HB3  CYS   6           HB1      CYS   6   1.712  -3.987  -0.038
   35    HA   PRO   7           HA       PRO   7   1.841  -6.170  -4.827
   36    HB2  PRO   7           HB2      PRO   7   3.052  -4.949  -6.872
   37    HB3  PRO   7           HB1      PRO   7   1.305  -4.826  -6.628
   38    HG2  PRO   7           HG2      PRO   7   3.453  -2.851  -5.989
   39    HG3  PRO   7           HG1      PRO   7   1.837  -2.573  -6.659
   40    HD2  PRO   7           HD2      PRO   7   2.528  -2.237  -3.995
   41    HD3  PRO   7           HD1      PRO   7   0.877  -2.493  -4.597
   42    H    LYS   8           HN       LYS   8   3.822  -4.541  -2.868
   43    HA   LYS   8           HA       LYS   8   6.273  -5.819  -3.885
   44    HB2  LYS   8           HB2      LYS   8   5.912  -3.306  -2.254
   45    HB3  LYS   8           HB1      LYS   8   7.471  -4.091  -2.463
   46    HG2  LYS   8           HG2      LYS   8   7.456  -3.698  -4.801
   47    HG3  LYS   8           HG1      LYS   8   5.772  -3.181  -4.767
   48    HD2  LYS   8           HD2      LYS   8   6.372  -1.205  -3.494
   49    HD3  LYS   8           HD1      LYS   8   8.051  -1.746  -3.407
   50    HE2  LYS   8           HE2      LYS   8   8.403  -1.402  -5.690
   51    HE3  LYS   8           HE1      LYS   8   6.679  -1.351  -6.043
   52    HZ1  LYS   8           HZ1      LYS   8   6.603   0.757  -4.756
   53    HZ2  LYS   8           HZ2      LYS   8   7.516   0.845  -6.168
   54    HZ3  LYS   8           HZ3      LYS   8   8.295   0.737  -4.670
   55    H    CYS   9           HN       CYS   9   4.077  -5.480  -1.284
   56    HA   CYS   9           HA       CYS   9   5.095  -7.807   0.018
   57    HB2  CYS   9           HB2      CYS   9   5.465  -6.798   2.217
   58    HB3  CYS   9           HB1      CYS   9   6.547  -6.063   1.040
   59    H    GLN  10           HN       GLN  10   3.537  -8.499   1.713
   60    HA   GLN  10           HA       GLN  10   0.911  -7.939   0.707
   61    HB2  GLN  10           HB2      GLN  10   1.689 -10.227   1.368
   62    HB3  GLN  10           HB1      GLN  10   1.669  -9.698   3.045
   63    HG2  GLN  10           HG2      GLN  10  -0.332 -10.953   2.519
   64    HG3  GLN  10           HG1      GLN  10  -0.734  -9.276   2.884
   65   HE21  GLN  10          HE21      GLN  10  -2.697  -9.447   1.778
   66   HE22  GLN  10          HE22      GLN  10  -2.766  -9.474   0.049
   67    H    TYR  11           HN       TYR  11   0.633  -5.789   1.250
   68    HA   TYR  11           HA       TYR  11  -0.069  -5.327   4.067
   69    HD1  TYR  11           HD1      TYR  11   0.968  -3.344   5.821
   70    HD2  TYR  11           HD2      TYR  11  -0.140  -1.466   2.163
   71    HE1  TYR  11           HE1      TYR  11   0.115  -1.413   7.075
   72    HE2  TYR  11           HE2      TYR  11  -0.995   0.469   3.412
   73    HH   TYR  11           HH       TYR  11  -0.322   0.971   6.694
   74    HB2  TYR  11           HB2      TYR  11   1.929  -4.041   3.593
   75    HB3  TYR  11           HB1      TYR  11   1.218  -3.401   2.116
   76    H    GLN  12           HN       GLN  12  -2.168  -5.004   4.283
   77    HA   GLN  12           HA       GLN  12  -3.765  -4.308   1.949
   78    HB2  GLN  12           HB2      GLN  12  -4.652  -5.023   4.751
   79    HB3  GLN  12           HB1      GLN  12  -5.687  -4.892   3.335
   80    HG2  GLN  12           HG2      GLN  12  -3.492  -6.908   3.745
   81    HG3  GLN  12           HG1      GLN  12  -5.225  -7.212   3.869
   82   HE21  GLN  12          HE21      GLN  12  -6.462  -7.303   2.005
   83   HE22  GLN  12          HE22      GLN  12  -5.751  -7.471   0.428
   84    H    ALA  13           HN       ALA  13  -4.512  -2.341   1.580
   85    HA   ALA  13           HA       ALA  13  -4.546  -0.407   3.811
   86    HB1  ALA  13           HB1      ALA  13  -4.008   0.143   0.890
   87    HB2  ALA  13           HB2      ALA  13  -2.811   0.155   2.185
   88    HB3  ALA  13           HB3      ALA  13  -4.102   1.357   2.166
   89    HA   PRO  14           HA       PRO  14  -8.863  -0.244   2.718
   90    HB2  PRO  14           HB2      PRO  14  -9.657   1.495   4.613
   91    HB3  PRO  14           HB1      PRO  14  -9.219  -0.173   4.992
   92    HG2  PRO  14           HG2      PRO  14  -7.668   2.335   5.387
   93    HG3  PRO  14           HG1      PRO  14  -7.734   0.883   6.399
   94    HD2  PRO  14           HD2      PRO  14  -5.713   1.509   4.593
   95    HD3  PRO  14           HD1      PRO  14  -6.033  -0.102   5.259
   96    H    ASP  15           HN       ASP  15  -6.937   2.668   3.167
   97    HA   ASP  15           HA       ASP  15  -8.734   4.145   1.376
   98    HB2  ASP  15           HB2      ASP  15  -8.489   5.264   3.476
   99    HB3  ASP  15           HB1      ASP  15  -6.736   5.083   3.438
  100    H    MET  16           HN       MET  16  -7.905   5.301  -0.384
  101    HA   MET  16           HA       MET  16  -5.770   3.993  -1.723
  102    HB2  MET  16           HB2      MET  16  -7.689   4.957  -2.926
  103    HB3  MET  16           HB1      MET  16  -7.174   6.570  -2.447
  104    HG2  MET  16           HG2      MET  16  -5.099   6.288  -3.699
  105    HG3  MET  16           HG1      MET  16  -5.606   4.669  -4.174
  106    HE1  MET  16           HE1      MET  16  -4.676   6.875  -6.284
  107    HE2  MET  16           HE2      MET  16  -5.891   6.619  -7.538
  108    HE3  MET  16           HE3      MET  16  -5.185   5.239  -6.697
  109    H    ASP  17           HN       ASP  17  -6.035   7.137  -0.106
  110    HA   ASP  17           HA       ASP  17  -3.545   8.197  -0.907
  111    HB2  ASP  17           HB2      ASP  17  -5.434   9.421   0.282
  112    HB3  ASP  17           HB1      ASP  17  -4.875   8.669   1.761
  113    H    THR  18           HN       THR  18  -4.551   6.525   2.009
  114    HA   THR  18           HA       THR  18  -2.170   6.145   3.326
  115    HB   THR  18           HB       THR  18  -4.356   4.075   3.019
  116    HG1  THR  18           HG1      THR  18  -4.231   6.522   4.288
  117   HG21  THR  18          HG21      THR  18  -2.318   3.196   4.078
  118   HG22  THR  18          HG22      THR  18  -3.649   3.307   5.232
  119   HG23  THR  18          HG23      THR  18  -2.360   4.514   5.251
  120    H    LEU  19           HN       LEU  19  -3.471   4.191   0.652
  121    HA   LEU  19           HA       LEU  19  -1.414   2.287   0.533
  122    HG   LEU  19           HG       LEU  19  -1.083   2.105  -2.468
  123    HB2  LEU  19           HB2      LEU  19  -3.506   2.012  -0.682
  124    HB3  LEU  19           HB1      LEU  19  -3.132   3.401  -1.686
  125   HD11  LEU  19          HD11      LEU  19  -2.610  -0.167  -1.210
  126   HD12  LEU  19          HD12      LEU  19  -1.034   0.439  -0.700
  127   HD13  LEU  19          HD13      LEU  19  -1.217  -0.330  -2.277
  128   HD21  LEU  19          HD21      LEU  19  -3.847   1.116  -3.128
  129   HD22  LEU  19          HD22      LEU  19  -2.402   0.780  -4.080
  130   HD23  LEU  19          HD23      LEU  19  -2.979   2.438  -3.907
  131    H    GLN  20           HN       GLN  20  -1.796   5.384  -1.170
  132    HA   GLN  20           HA       GLN  20   0.494   5.193  -2.776
  133    HB2  GLN  20           HB2      GLN  20  -0.712   7.736  -1.662
  134    HB3  GLN  20           HB1      GLN  20   0.311   7.597  -3.082
  135    HG2  GLN  20           HG2      GLN  20  -2.464   6.482  -2.771
  136    HG3  GLN  20           HG1      GLN  20  -2.007   7.907  -3.700
  137   HE21  GLN  20          HE21      GLN  20  -2.048   4.455  -3.586
  138   HE22  GLN  20          HE22      GLN  20  -1.582   4.188  -5.230
  139    H    ILE  21           HN       ILE  21   0.017   6.723   0.387
  140    HA   ILE  21           HA       ILE  21   2.597   7.675   0.814
  141    HB   ILE  21           HB       ILE  21   0.765   6.504   2.918
  142   HG12  ILE  21          HG12      ILE  21   0.969   9.365   1.959
  143   HG13  ILE  21          HG11      ILE  21  -0.317   8.250   1.505
  144   HG21  ILE  21          HG21      ILE  21   3.005   8.516   3.131
  145   HG22  ILE  21          HG22      ILE  21   3.039   6.852   3.714
  146   HG23  ILE  21          HG23      ILE  21   1.939   8.021   4.447
  147   HD11  ILE  21          HD11      ILE  21  -1.015   8.090   3.824
  148   HD12  ILE  21          HD12      ILE  21  -1.009   9.767   3.281
  149   HD13  ILE  21          HD13      ILE  21   0.294   9.168   4.303
  150    H    HIS  22           HN       HIS  22   1.200   4.505   1.609
  151    HA   HIS  22           HA       HIS  22   3.482   3.434   2.826
  152    HD1  HIS  22           HD1      HIS  22   3.118   0.733   4.357
  153    HD2  HIS  22           HD2      HIS  22   2.536  -0.056   0.312
  154    HE1  HIS  22           HE1      HIS  22   4.228  -1.497   3.889
  155    HB2  HIS  22           HB2      HIS  22   1.393   2.316   3.151
  156    HB3  HIS  22           HB1      HIS  22   1.178   2.081   1.418
  157    H    VAL  23           HN       VAL  23   2.432   3.338  -0.577
  158    HA   VAL  23           HA       VAL  23   4.456   1.546  -1.414
  159    HB   VAL  23           HB       VAL  23   2.952   3.614  -3.046
  160   HG11  VAL  23          HG11      VAL  23   5.004   2.916  -4.171
  161   HG12  VAL  23          HG12      VAL  23   3.579   2.286  -4.997
  162   HG13  VAL  23          HG13      VAL  23   4.545   1.224  -3.972
  163   HG21  VAL  23          HG21      VAL  23   2.440   0.661  -2.677
  164   HG22  VAL  23          HG22      VAL  23   1.526   1.755  -3.716
  165   HG23  VAL  23          HG23      VAL  23   1.492   1.970  -1.966
  166    H    MET  24           HN       MET  24   4.343   5.081  -1.264
  167    HA   MET  24           HA       MET  24   6.905   5.459  -2.459
  168    HB2  MET  24           HB2      MET  24   5.398   7.288  -0.575
  169    HB3  MET  24           HB1      MET  24   6.760   7.748  -1.587
  170    HG2  MET  24           HG2      MET  24   4.037   6.869  -2.523
  171    HG3  MET  24           HG1      MET  24   4.704   8.499  -2.586
  172    HE1  MET  24           HE1      MET  24   3.982   8.567  -5.167
  173    HE2  MET  24           HE2      MET  24   3.396   6.907  -5.069
  174    HE3  MET  24           HE3      MET  24   4.508   7.375  -6.355
  175    H    GLU  25           HN       GLU  25   5.794   4.586   0.652
  176    HA   GLU  25           HA       GLU  25   8.321   5.107   1.997
  177    HB2  GLU  25           HB2      GLU  25   6.219   5.530   3.168
  178    HB3  GLU  25           HB1      GLU  25   5.712   3.871   2.910
  179    HG2  GLU  25           HG2      GLU  25   7.640   3.149   4.315
  180    HG3  GLU  25           HG1      GLU  25   7.933   4.851   4.679
  181    H    CYS  26           HN       CYS  26   6.918   2.696   0.127
  182    HA   CYS  26           HA       CYS  26   7.968   0.430   1.579
  183    HB2  CYS  26           HB2      CYS  26   5.733   0.447   0.415
  184    HB3  CYS  26           HB1      CYS  26   6.598   0.453  -1.112
  185    H    ILE  27           HN       ILE  27  10.065   1.683   1.196
  186    HA   ILE  27           HA       ILE  27  12.230   1.344   0.603
  187    HB   ILE  27           HB       ILE  27  11.212  -0.772  -1.301
  188   HG12  ILE  27          HG12      ILE  27  12.433  -1.038   1.457
  189   HG13  ILE  27          HG11      ILE  27  10.726  -1.245   1.087
  190   HG21  ILE  27          HG21      ILE  27  14.007  -0.181  -0.325
  191   HG22  ILE  27          HG22      ILE  27  13.396   0.067  -1.960
  192   HG23  ILE  27          HG23      ILE  27  13.537  -1.564  -1.310
  193   HD11  ILE  27          HD11      ILE  27  11.864  -3.381   1.325
  194   HD12  ILE  27          HD12      ILE  27  12.973  -2.946   0.026
  195   HD13  ILE  27          HD13      ILE  27  11.256  -3.160  -0.315
  196    H    GLU  28           HN       GLU  28  10.694   0.687  -2.540
  197    HA   GLU  28           HA       GLU  28  12.157   3.012  -3.566
  198    HB2  GLU  28           HB2      GLU  28  11.898   1.869  -5.814
  199    HB3  GLU  28           HB1      GLU  28  12.987   1.104  -4.669
  200    HG2  GLU  28           HG2      GLU  28  11.304  -0.552  -4.131
  201    HG3  GLU  28           HG1      GLU  28  10.152   0.242  -5.205
  Start of MODEL    6
    1    HA   SER   1           HA       SER   1  -8.102  -8.204  -4.887
    2    HG   SER   1           HG       SER   1  -7.441  -4.520  -4.627
    3    H1   SER   1           HT1      SER   1  -9.278  -6.041  -6.518
    4    H2   SER   1           HT2      SER   1  -9.848  -7.632  -6.365
    5    H3   SER   1           HT3      SER   1  -8.363  -7.334  -7.129
    6    HB2  SER   1           HB2      SER   1  -6.520  -6.433  -4.115
    7    HB3  SER   1           HB1      SER   1  -6.332  -6.826  -5.823
    8    H    SER   2           HN       SER   2  -8.403  -7.953  -2.650
    9    HA   SER   2           HA       SER   2 -10.769  -6.507  -1.890
   10    HG   SER   2           HG       SER   2 -11.323  -8.732  -1.308
   11    HB2  SER   2           HB2      SER   2  -8.776  -8.074  -0.231
   12    HB3  SER   2           HB1      SER   2 -10.316  -7.448   0.360
   13    H    ASP   3           HN       ASP   3 -10.514  -4.365  -1.968
   14    HA   ASP   3           HA       ASP   3  -9.855  -2.262  -1.456
   15    HB2  ASP   3           HB2      ASP   3  -8.460  -3.654   0.833
   16    HB3  ASP   3           HB1      ASP   3  -8.450  -1.906   0.619
   17    H    PHE   4           HN       PHE   4  -7.320  -1.371  -0.454
   18    HA   PHE   4           HA       PHE   4  -5.848  -1.647  -2.958
   19    HD1  PHE   4           HD2      PHE   4  -5.716   1.022  -4.208
   20    HD2  PHE   4           HD1      PHE   4  -7.700   1.047  -0.448
   21    HE1  PHE   4           HE2      PHE   4  -7.465   2.478  -5.143
   22    HE2  PHE   4           HE1      PHE   4  -9.452   2.501  -1.373
   23    HZ   PHE   4           HZ       PHE   4  -9.336   3.225  -3.725
   24    HB2  PHE   4           HB2      PHE   4  -5.455   0.258  -0.638
   25    HB3  PHE   4           HB1      PHE   4  -4.588   0.313  -2.166
   26    H    CYS   5           HN       CYS   5  -4.410  -3.261  -3.003
   27    HA   CYS   5           HA       CYS   5  -2.914  -3.857  -0.547
   28    HG   CYS   5           HG       CYS   5  -5.298  -5.142  -0.434
   29    HB2  CYS   5           HB2      CYS   5  -3.268  -5.577  -3.010
   30    HB3  CYS   5           HB1      CYS   5  -2.469  -6.050  -1.514
   31    H    CYS   6           HN       CYS   6  -0.719  -3.746  -0.489
   32    HA   CYS   6           HA       CYS   6   0.664  -2.275  -2.497
   33    HB2  CYS   6           HB2      CYS   6   1.361  -2.189  -0.152
   34    HB3  CYS   6           HB1      CYS   6   1.727  -3.908  -0.176
   35    HA   PRO   7           HA       PRO   7   1.430  -5.824  -5.081
   36    HB2  PRO   7           HB2      PRO   7   2.796  -4.150  -6.956
   37    HB3  PRO   7           HB1      PRO   7   1.136  -4.738  -7.038
   38    HG2  PRO   7           HG2      PRO   7   1.860  -2.092  -6.696
   39    HG3  PRO   7           HG1      PRO   7   0.285  -2.776  -6.263
   40    HD2  PRO   7           HD2      PRO   7   2.634  -2.164  -4.523
   41    HD3  PRO   7           HD1      PRO   7   0.900  -1.978  -4.186
   42    H    LYS   8           HN       LYS   8   3.540  -4.546  -3.102
   43    HA   LYS   8           HA       LYS   8   5.892  -5.779  -4.373
   44    HB2  LYS   8           HB2      LYS   8   6.026  -3.401  -2.518
   45    HB3  LYS   8           HB1      LYS   8   7.298  -4.046  -3.550
   46    HG2  LYS   8           HG2      LYS   8   5.891  -3.423  -5.527
   47    HG3  LYS   8           HG1      LYS   8   4.804  -2.600  -4.410
   48    HD2  LYS   8           HD2      LYS   8   6.723  -1.200  -3.671
   49    HD3  LYS   8           HD1      LYS   8   7.705  -1.966  -4.925
   50    HE2  LYS   8           HE2      LYS   8   5.863  -1.227  -6.544
   51    HE3  LYS   8           HE1      LYS   8   5.322  -0.169  -5.243
   52    HZ1  LYS   8           HZ1      LYS   8   7.936  -0.140  -6.637
   53    HZ2  LYS   8           HZ2      LYS   8   7.642   0.736  -5.215
   54    HZ3  LYS   8           HZ3      LYS   8   6.758   1.081  -6.619
   55    H    CYS   9           HN       CYS   9   3.896  -5.437  -1.620
   56    HA   CYS   9           HA       CYS   9   5.062  -7.737  -0.391
   57    HB2  CYS   9           HB2      CYS   9   5.659  -6.782   1.731
   58    HB3  CYS   9           HB1      CYS   9   6.501  -5.851   0.500
   59    H    GLN  10           HN       GLN  10   3.696  -8.407   1.508
   60    HA   GLN  10           HA       GLN  10   0.955  -7.917   0.783
   61    HB2  GLN  10           HB2      GLN  10   2.083  -9.590   3.033
   62    HB3  GLN  10           HB1      GLN  10   0.405  -9.584   2.499
   63    HG2  GLN  10           HG2      GLN  10   2.798 -10.476   0.908
   64    HG3  GLN  10           HG1      GLN  10   1.552 -11.505   1.611
   65   HE21  GLN  10          HE21      GLN  10  -0.635  -9.717   0.893
   66   HE22  GLN  10          HE22      GLN  10  -0.841  -9.877  -0.815
   67    H    TYR  11           HN       TYR  11   0.415  -5.906   1.250
   68    HA   TYR  11           HA       TYR  11   0.046  -5.261   4.073
   69    HD1  TYR  11           HD1      TYR  11   1.483  -3.174   5.692
   70    HD2  TYR  11           HD2      TYR  11  -0.262  -1.557   2.161
   71    HE1  TYR  11           HE1      TYR  11   0.740  -1.210   6.967
   72    HE2  TYR  11           HE2      TYR  11  -1.008   0.411   3.428
   73    HH   TYR  11           HH       TYR  11   0.182   1.259   6.365
   74    HB2  TYR  11           HB2      TYR  11   2.067  -4.041   3.469
   75    HB3  TYR  11           HB1      TYR  11   1.289  -3.401   2.026
   76    H    GLN  12           HN       GLN  12  -1.919  -4.438   4.461
   77    HA   GLN  12           HA       GLN  12  -3.657  -4.056   2.124
   78    HB2  GLN  12           HB2      GLN  12  -4.228  -5.774   3.893
   79    HB3  GLN  12           HB1      GLN  12  -4.484  -4.435   5.005
   80    HG2  GLN  12           HG2      GLN  12  -6.586  -5.175   4.099
   81    HG3  GLN  12           HG1      GLN  12  -6.219  -3.550   3.513
   82   HE21  GLN  12          HE21      GLN  12  -6.507  -6.902   2.693
   83   HE22  GLN  12          HE22      GLN  12  -6.492  -6.690   0.973
   84    H    ALA  13           HN       ALA  13  -4.394  -2.086   1.638
   85    HA   ALA  13           HA       ALA  13  -4.391  -0.040   3.763
   86    HB1  ALA  13           HB1      ALA  13  -2.608   0.404   2.143
   87    HB2  ALA  13           HB2      ALA  13  -3.857   1.649   2.088
   88    HB3  ALA  13           HB3      ALA  13  -3.794   0.407   0.838
   89    HA   PRO  14           HA       PRO  14  -8.723  -0.180   2.665
   90    HB2  PRO  14           HB2      PRO  14  -9.582   1.514   4.604
   91    HB3  PRO  14           HB1      PRO  14  -9.172  -0.176   4.913
   92    HG2  PRO  14           HG2      PRO  14  -7.572   2.289   5.435
   93    HG3  PRO  14           HG1      PRO  14  -7.729   0.823   6.419
   94    HD2  PRO  14           HD2      PRO  14  -5.586   1.354   4.800
   95    HD3  PRO  14           HD1      PRO  14  -6.106  -0.284   5.241
   96    H    ASP  15           HN       ASP  15  -6.817   2.743   3.088
   97    HA   ASP  15           HA       ASP  15  -8.698   4.205   1.373
   98    HB2  ASP  15           HB2      ASP  15  -6.600   5.165   3.310
   99    HB3  ASP  15           HB1      ASP  15  -7.352   6.233   2.129
  100    H    MET  16           HN       MET  16  -7.984   5.325  -0.429
  101    HA   MET  16           HA       MET  16  -5.857   4.148  -1.887
  102    HB2  MET  16           HB2      MET  16  -7.840   5.220  -2.938
  103    HB3  MET  16           HB1      MET  16  -7.255   6.785  -2.387
  104    HG2  MET  16           HG2      MET  16  -5.227   6.474  -3.742
  105    HG3  MET  16           HG1      MET  16  -5.878   4.948  -4.332
  106    HE1  MET  16           HE1      MET  16  -8.031   4.746  -5.871
  107    HE2  MET  16           HE2      MET  16  -9.010   6.122  -6.374
  108    HE3  MET  16           HE3      MET  16  -8.986   5.629  -4.681
  109    H    ASP  17           HN       ASP  17  -6.212   7.081  -0.004
  110    HA   ASP  17           HA       ASP  17  -3.767   8.321  -0.486
  111    HB2  ASP  17           HB2      ASP  17  -5.323   8.200   2.113
  112    HB3  ASP  17           HB1      ASP  17  -4.053   9.359   1.740
  113    H    THR  18           HN       THR  18  -4.644   6.030   2.062
  114    HA   THR  18           HA       THR  18  -2.223   5.787   3.359
  115    HB   THR  18           HB       THR  18  -4.198   3.549   2.905
  116    HG1  THR  18           HG1      THR  18  -4.323   5.267   5.128
  117   HG21  THR  18          HG21      THR  18  -3.480   2.820   5.130
  118   HG22  THR  18          HG22      THR  18  -2.336   4.161   5.203
  119   HG23  THR  18          HG23      THR  18  -2.117   2.880   4.010
  120    H    LEU  19           HN       LEU  19  -3.437   3.953   0.560
  121    HA   LEU  19           HA       LEU  19  -1.357   2.097   0.381
  122    HG   LEU  19           HG       LEU  19  -0.925   1.947  -2.560
  123    HB2  LEU  19           HB2      LEU  19  -3.443   1.911  -0.906
  124    HB3  LEU  19           HB1      LEU  19  -2.966   3.293  -1.877
  125   HD11  LEU  19          HD11      LEU  19  -1.035   0.292  -0.762
  126   HD12  LEU  19          HD12      LEU  19  -1.076  -0.471  -2.353
  127   HD13  LEU  19          HD13      LEU  19  -2.559  -0.312  -1.415
  128   HD21  LEU  19          HD21      LEU  19  -2.778   2.331  -4.069
  129   HD22  LEU  19          HD22      LEU  19  -3.663   0.981  -3.364
  130   HD23  LEU  19          HD23      LEU  19  -2.175   0.684  -4.260
  131    H    GLN  20           HN       GLN  20  -1.728   5.224  -1.275
  132    HA   GLN  20           HA       GLN  20   0.693   5.050  -2.699
  133    HB2  GLN  20           HB2      GLN  20  -0.983   7.442  -1.937
  134    HB3  GLN  20           HB1      GLN  20   0.394   7.517  -3.031
  135    HG2  GLN  20           HG2      GLN  20  -0.713   5.949  -4.538
  136    HG3  GLN  20           HG1      GLN  20  -2.095   5.873  -3.447
  137   HE21  GLN  20          HE21      GLN  20  -3.477   6.624  -5.047
  138   HE22  GLN  20          HE22      GLN  20  -3.489   8.275  -5.552
  139    H    ILE  21           HN       ILE  21  -0.099   6.492   0.443
  140    HA   ILE  21           HA       ILE  21   2.396   7.640   1.004
  141    HB   ILE  21           HB       ILE  21   0.496   6.306   2.953
  142   HG12  ILE  21          HG12      ILE  21   0.770   9.219   2.169
  143   HG13  ILE  21          HG11      ILE  21  -0.535   8.145   1.670
  144   HG21  ILE  21          HG21      ILE  21   1.595   7.691   4.665
  145   HG22  ILE  21          HG22      ILE  21   2.749   8.252   3.455
  146   HG23  ILE  21          HG23      ILE  21   2.715   6.550   3.916
  147   HD11  ILE  21          HD11      ILE  21  -1.226   7.907   3.997
  148   HD12  ILE  21          HD12      ILE  21  -1.226   9.596   3.488
  149   HD13  ILE  21          HD13      ILE  21   0.084   8.978   4.496
  150    H    HIS  22           HN       HIS  22   1.151   4.391   1.681
  151    HA   HIS  22           HA       HIS  22   3.514   3.394   2.834
  152    HD1  HIS  22           HD1      HIS  22   3.291   0.688   4.374
  153    HD2  HIS  22           HD2      HIS  22   2.584  -0.120   0.352
  154    HE1  HIS  22           HE1      HIS  22   4.393  -1.542   3.883
  155    HB2  HIS  22           HB2      HIS  22   1.469   2.215   3.236
  156    HB3  HIS  22           HB1      HIS  22   1.196   1.974   1.510
  157    H    VAL  23           HN       VAL  23   2.332   3.290  -0.539
  158    HA   VAL  23           HA       VAL  23   4.301   1.505  -1.453
  159    HB   VAL  23           HB       VAL  23   2.761   3.600  -2.993
  160   HG11  VAL  23          HG11      VAL  23   4.478   1.341  -4.018
  161   HG12  VAL  23          HG12      VAL  23   4.800   3.067  -4.196
  162   HG13  VAL  23          HG13      VAL  23   3.410   2.340  -5.005
  163   HG21  VAL  23          HG21      VAL  23   1.433   1.674  -3.750
  164   HG22  VAL  23          HG22      VAL  23   1.369   1.861  -1.999
  165   HG23  VAL  23          HG23      VAL  23   2.388   0.612  -2.715
  166    H    MET  24           HN       MET  24   4.320   5.036  -1.228
  167    HA   MET  24           HA       MET  24   6.850   5.315  -2.518
  168    HB2  MET  24           HB2      MET  24   5.315   7.210  -0.735
  169    HB3  MET  24           HB1      MET  24   6.802   7.632  -1.578
  170    HG2  MET  24           HG2      MET  24   5.711   7.168  -3.723
  171    HG3  MET  24           HG1      MET  24   4.218   6.779  -2.871
  172    HE1  MET  24           HE1      MET  24   3.263  10.242  -1.307
  173    HE2  MET  24           HE2      MET  24   4.179   8.931  -0.565
  174    HE3  MET  24           HE3      MET  24   2.760   8.570  -1.545
  175    H    GLU  25           HN       GLU  25   5.813   4.872   0.792
  176    HA   GLU  25           HA       GLU  25   8.384   5.265   1.988
  177    HB2  GLU  25           HB2      GLU  25   6.241   5.466   3.223
  178    HB3  GLU  25           HB1      GLU  25   5.969   3.746   2.995
  179    HG2  GLU  25           HG2      GLU  25   7.973   3.262   4.312
  180    HG3  GLU  25           HG1      GLU  25   8.211   4.993   4.566
  181    H    CYS  26           HN       CYS  26   6.547   2.567   0.775
  182    HA   CYS  26           HA       CYS  26   8.280   0.461   1.551
  183    HB2  CYS  26           HB2      CYS  26   5.831   0.333   0.878
  184    HB3  CYS  26           HB1      CYS  26   6.354   0.524  -0.786
  185    H    ILE  27           HN       ILE  27   8.183   2.707  -1.052
  186    HA   ILE  27           HA       ILE  27   9.633   3.294  -2.659
  187    HB   ILE  27           HB       ILE  27  11.536   1.334  -1.367
  188   HG12  ILE  27          HG12      ILE  27  11.244   4.336  -1.100
  189   HG13  ILE  27          HG11      ILE  27  10.806   3.149   0.124
  190   HG21  ILE  27          HG21      ILE  27  12.067   3.548  -3.349
  191   HG22  ILE  27          HG22      ILE  27  12.148   1.819  -3.689
  192   HG23  ILE  27          HG23      ILE  27  13.289   2.550  -2.560
  193   HD11  ILE  27          HD11      ILE  27  12.925   4.219   0.630
  194   HD12  ILE  27          HD12      ILE  27  13.582   3.673  -0.914
  195   HD13  ILE  27          HD13      ILE  27  13.144   2.496   0.325
  196    H    GLU  28           HN       GLU  28  10.821  -0.065  -2.556
  197    HA   GLU  28           HA       GLU  28   9.297  -0.741  -4.918
  198    HB2  GLU  28           HB2      GLU  28  11.326   0.647  -5.658
  199    HB3  GLU  28           HB1      GLU  28  12.304  -0.721  -5.151
  200    HG2  GLU  28           HG2      GLU  28  11.984  -0.895  -7.494
  201    HG3  GLU  28           HG1      GLU  28  10.998  -2.144  -6.733
  Start of MODEL    7
    1    HA   SER   1           HA       SER   1 -15.425  -0.610  -2.047
    2    HG   SER   1           HG       SER   1 -17.216  -2.650  -0.308
    3    H1   SER   1           HT1      SER   1 -15.656  -1.165  -4.382
    4    H2   SER   1           HT2      SER   1 -16.953  -1.765  -3.468
    5    H3   SER   1           HT3      SER   1 -15.728  -2.812  -3.995
    6    HB2  SER   1           HB2      SER   1 -15.155  -3.599  -1.640
    7    HB3  SER   1           HB1      SER   1 -15.140  -2.347  -0.396
    8    H    SER   2           HN       SER   2 -13.837  -3.536  -3.331
    9    HA   SER   2           HA       SER   2 -11.774  -3.918  -4.165
   10    HG   SER   2           HG       SER   2 -12.015  -2.600  -6.389
   11    HB2  SER   2           HB2      SER   2 -11.510  -0.905  -4.183
   12    HB3  SER   2           HB1      SER   2 -10.420  -2.032  -4.992
   13    H    ASP   3           HN       ASP   3  -9.483  -3.855  -3.662
   14    HA   ASP   3           HA       ASP   3  -8.938  -3.075  -0.869
   15    HB2  ASP   3           HB2      ASP   3  -7.439  -4.968  -0.679
   16    HB3  ASP   3           HB1      ASP   3  -8.994  -5.561  -1.251
   17    H    PHE   4           HN       PHE   4  -7.087  -1.880  -0.511
   18    HA   PHE   4           HA       PHE   4  -5.573  -1.195  -2.928
   19    HD1  PHE   4           HD2      PHE   4  -5.938   1.314  -3.843
   20    HD2  PHE   4           HD1      PHE   4  -8.060   0.824  -0.188
   21    HE1  PHE   4           HE2      PHE   4  -7.868   2.498  -4.806
   22    HE2  PHE   4           HE1      PHE   4  -9.993   2.000  -1.150
   23    HZ   PHE   4           HZ       PHE   4  -9.898   2.842  -3.458
   24    HB2  PHE   4           HB2      PHE   4  -5.800   0.264  -0.287
   25    HB3  PHE   4           HB1      PHE   4  -4.797   0.788  -1.636
   26    H    CYS   5           HN       CYS   5  -4.228  -2.942  -3.014
   27    HA   CYS   5           HA       CYS   5  -2.742  -3.634  -0.590
   28    HG   CYS   5           HG       CYS   5  -2.819  -7.396  -0.934
   29    HB2  CYS   5           HB2      CYS   5  -4.092  -5.368  -1.872
   30    HB3  CYS   5           HB1      CYS   5  -2.880  -5.237  -3.139
   31    H    CYS   6           HN       CYS   6  -0.561  -3.705  -0.519
   32    HA   CYS   6           HA       CYS   6   0.866  -1.935  -2.240
   33    HB2  CYS   6           HB2      CYS   6   1.365  -2.064   0.133
   34    HB3  CYS   6           HB1      CYS   6   1.781  -3.766  -0.013
   35    HA   PRO   7           HA       PRO   7   2.203  -5.119  -5.133
   36    HB2  PRO   7           HB2      PRO   7   3.525  -3.493  -6.817
   37    HB3  PRO   7           HB1      PRO   7   1.759  -3.515  -6.744
   38    HG2  PRO   7           HG2      PRO   7   3.681  -1.575  -5.523
   39    HG3  PRO   7           HG1      PRO   7   2.145  -1.260  -6.352
   40    HD2  PRO   7           HD2      PRO   7   2.432  -1.313  -3.625
   41    HD3  PRO   7           HD1      PRO   7   0.912  -1.670  -4.466
   42    H    LYS   8           HN       LYS   8   3.627  -4.904  -2.711
   43    HA   LYS   8           HA       LYS   8   6.356  -5.455  -3.573
   44    HB2  LYS   8           HB2      LYS   8   5.592  -3.251  -1.675
   45    HB3  LYS   8           HB1      LYS   8   7.149  -4.053  -1.540
   46    HG2  LYS   8           HG2      LYS   8   6.214  -2.775  -4.088
   47    HG3  LYS   8           HG1      LYS   8   7.079  -1.883  -2.832
   48    HD2  LYS   8           HD2      LYS   8   8.921  -3.531  -2.992
   49    HD3  LYS   8           HD1      LYS   8   8.065  -4.316  -4.324
   50    HE2  LYS   8           HE2      LYS   8   8.260  -2.350  -5.682
   51    HE3  LYS   8           HE1      LYS   8   8.910  -1.419  -4.330
   52    HZ1  LYS   8           HZ1      LYS   8  10.864  -2.847  -4.333
   53    HZ2  LYS   8           HZ2      LYS   8  10.650  -2.116  -5.850
   54    HZ3  LYS   8           HZ3      LYS   8  10.230  -3.746  -5.630
   55    H    CYS   9           HN       CYS   9   3.964  -5.293  -1.038
   56    HA   CYS   9           HA       CYS   9   4.867  -7.808   0.091
   57    HB2  CYS   9           HB2      CYS   9   4.910  -6.882   2.389
   58    HB3  CYS   9           HB1      CYS   9   6.138  -6.128   1.379
   59    H    GLN  10           HN       GLN  10   3.192  -8.531   1.784
   60    HA   GLN  10           HA       GLN  10   0.582  -7.932   0.735
   61    HB2  GLN  10           HB2      GLN  10   1.491  -9.769   2.945
   62    HB3  GLN  10           HB1      GLN  10  -0.203  -9.539   2.527
   63    HG2  GLN  10           HG2      GLN  10   1.974 -10.693   0.806
   64    HG3  GLN  10           HG1      GLN  10   0.548 -11.513   1.442
   65   HE21  GLN  10          HE21      GLN  10   1.806  -9.430  -1.003
   66   HE22  GLN  10          HE22      GLN  10   0.374  -9.346  -1.977
   67    H    TYR  11           HN       TYR  11   0.263  -5.823   1.172
   68    HA   TYR  11           HA       TYR  11  -0.489  -5.220   3.941
   69    HD1  TYR  11           HD1      TYR  11   0.890  -3.436   5.763
   70    HD2  TYR  11           HD2      TYR  11  -0.296  -1.380   2.233
   71    HE1  TYR  11           HE1      TYR  11   0.175  -1.523   7.126
   72    HE2  TYR  11           HE2      TYR  11  -1.018   0.540   3.590
   73    HH   TYR  11           HH       TYR  11  -0.137   0.961   6.785
   74    HB2  TYR  11           HB2      TYR  11   1.686  -4.133   3.529
   75    HB3  TYR  11           HB1      TYR  11   1.037  -3.367   2.084
   76    H    GLN  12           HN       GLN  12  -2.604  -5.027   3.820
   77    HA   GLN  12           HA       GLN  12  -3.817  -4.009   1.353
   78    HB2  GLN  12           HB2      GLN  12  -5.026  -5.511   3.683
   79    HB3  GLN  12           HB1      GLN  12  -5.884  -5.037   2.220
   80    HG2  GLN  12           HG2      GLN  12  -4.693  -6.532   0.889
   81    HG3  GLN  12           HG1      GLN  12  -3.421  -6.730   2.091
   82   HE21  GLN  12          HE21      GLN  12  -3.766  -8.062   3.848
   83   HE22  GLN  12          HE22      GLN  12  -5.027  -9.250   3.867
   84    H    ALA  13           HN       ALA  13  -3.807  -1.851   1.494
   85    HA   ALA  13           HA       ALA  13  -4.543  -0.475   3.925
   86    HB1  ALA  13           HB1      ALA  13  -3.996   0.607   1.159
   87    HB2  ALA  13           HB2      ALA  13  -2.816   0.453   2.460
   88    HB3  ALA  13           HB3      ALA  13  -4.175   1.563   2.631
   89    HA   PRO  14           HA       PRO  14  -8.869  -0.320   2.985
   90    HB2  PRO  14           HB2      PRO  14  -9.042   1.981   4.777
   91    HB3  PRO  14           HB1      PRO  14  -9.693   0.354   4.988
   92    HG2  PRO  14           HG2      PRO  14  -7.641   1.312   6.471
   93    HG3  PRO  14           HG1      PRO  14  -7.803  -0.406   6.052
   94    HD2  PRO  14           HD2      PRO  14  -6.058   1.693   4.823
   95    HD3  PRO  14           HD1      PRO  14  -5.684  -0.002   5.201
   96    H    ASP  15           HN       ASP  15  -7.061   2.729   3.169
   97    HA   ASP  15           HA       ASP  15  -8.858   3.876   1.147
   98    HB2  ASP  15           HB2      ASP  15  -8.801   5.163   3.186
   99    HB3  ASP  15           HB1      ASP  15  -7.041   5.213   3.154
  100    H    MET  16           HN       MET  16  -7.954   5.126  -0.580
  101    HA   MET  16           HA       MET  16  -5.753   3.826  -1.816
  102    HB2  MET  16           HB2      MET  16  -7.660   4.751  -3.075
  103    HB3  MET  16           HB1      MET  16  -7.165   6.375  -2.622
  104    HG2  MET  16           HG2      MET  16  -5.020   5.995  -3.803
  105    HG3  MET  16           HG1      MET  16  -5.645   4.439  -4.346
  106    HE1  MET  16           HE1      MET  16  -8.726   5.153  -4.862
  107    HE2  MET  16           HE2      MET  16  -7.755   4.179  -5.969
  108    HE3  MET  16           HE3      MET  16  -8.683   5.545  -6.584
  109    H    ASP  17           HN       ASP  17  -6.124   6.967  -0.238
  110    HA   ASP  17           HA       ASP  17  -3.669   8.103  -1.047
  111    HB2  ASP  17           HB2      ASP  17  -5.608   9.288   0.079
  112    HB3  ASP  17           HB1      ASP  17  -5.064   8.580   1.589
  113    H    THR  18           HN       THR  18  -4.631   6.493   1.923
  114    HA   THR  18           HA       THR  18  -2.217   6.372   3.256
  115    HB   THR  18           HB       THR  18  -4.205   4.103   3.240
  116    HG1  THR  18           HG1      THR  18  -4.416   6.739   4.204
  117   HG21  THR  18          HG21      THR  18  -2.170   3.705   4.518
  118   HG22  THR  18          HG22      THR  18  -3.546   3.908   5.602
  119   HG23  THR  18          HG23      THR  18  -2.395   5.225   5.380
  120    H    LEU  19           HN       LEU  19  -3.485   4.144   0.793
  121    HA   LEU  19           HA       LEU  19  -1.447   2.247   0.829
  122    HG   LEU  19           HG       LEU  19  -1.054   2.099  -2.299
  123    HB2  LEU  19           HB2      LEU  19  -3.437   1.838  -0.460
  124    HB3  LEU  19           HB1      LEU  19  -3.132   3.238  -1.472
  125   HD11  LEU  19          HD11      LEU  19  -2.219  -0.282  -0.865
  126   HD12  LEU  19          HD12      LEU  19  -0.731   0.562  -0.439
  127   HD13  LEU  19          HD13      LEU  19  -0.847  -0.305  -1.971
  128   HD21  LEU  19          HD21      LEU  19  -3.606   0.575  -2.795
  129   HD22  LEU  19          HD22      LEU  19  -2.203   0.678  -3.858
  130   HD23  LEU  19          HD23      LEU  19  -3.182   2.111  -3.549
  131    H    GLN  20           HN       GLN  20  -1.727   5.130  -1.263
  132    HA   GLN  20           HA       GLN  20   0.694   4.728  -2.608
  133    HB2  GLN  20           HB2      GLN  20  -1.128   6.260  -3.343
  134    HB3  GLN  20           HB1      GLN  20  -0.650   7.380  -2.075
  135    HG2  GLN  20           HG2      GLN  20   0.227   8.017  -4.268
  136    HG3  GLN  20           HG1      GLN  20   1.515   7.684  -3.111
  137   HE21  GLN  20          HE21      GLN  20  -0.140   6.557  -5.960
  138   HE22  GLN  20          HE22      GLN  20   1.049   5.394  -6.438
  139    H    ILE  21           HN       ILE  21  -0.017   6.515   0.365
  140    HA   ILE  21           HA       ILE  21   2.494   7.663   0.788
  141    HB   ILE  21           HB       ILE  21   0.596   6.568   2.875
  142   HG12  ILE  21          HG12      ILE  21   0.878   9.369   1.766
  143   HG13  ILE  21          HG11      ILE  21  -0.411   8.244   1.349
  144   HG21  ILE  21          HG21      ILE  21   2.824   8.581   3.135
  145   HG22  ILE  21          HG22      ILE  21   2.825   6.940   3.780
  146   HG23  ILE  21          HG23      ILE  21   1.686   8.133   4.406
  147   HD11  ILE  21          HD11      ILE  21  -1.176   9.859   2.971
  148   HD12  ILE  21          HD12      ILE  21   0.125   9.406   4.072
  149   HD13  ILE  21          HD13      ILE  21  -1.146   8.245   3.685
  150    H    HIS  22           HN       HIS  22   1.244   4.505   1.813
  151    HA   HIS  22           HA       HIS  22   3.653   3.574   2.965
  152    HD1  HIS  22           HD1      HIS  22   3.263   0.873   4.796
  153    HD2  HIS  22           HD2      HIS  22   2.587  -0.042   0.790
  154    HE1  HIS  22           HE1      HIS  22   4.222  -1.447   4.414
  155    HB2  HIS  22           HB2      HIS  22   1.592   2.486   3.568
  156    HB3  HIS  22           HB1      HIS  22   1.227   2.121   1.886
  157    H    VAL  23           HN       VAL  23   2.324   3.310  -0.324
  158    HA   VAL  23           HA       VAL  23   4.246   1.456  -1.243
  159    HB   VAL  23           HB       VAL  23   2.693   3.493  -2.865
  160   HG11  VAL  23          HG11      VAL  23   4.616   2.648  -4.101
  161   HG12  VAL  23          HG12      VAL  23   3.116   2.000  -4.765
  162   HG13  VAL  23          HG13      VAL  23   4.136   0.992  -3.738
  163   HG21  VAL  23          HG21      VAL  23   1.193   1.595  -3.342
  164   HG22  VAL  23          HG22      VAL  23   1.225   2.012  -1.630
  165   HG23  VAL  23          HG23      VAL  23   2.113   0.604  -2.211
  166    H    MET  24           HN       MET  24   4.250   4.974  -1.045
  167    HA   MET  24           HA       MET  24   6.624   5.359  -2.567
  168    HB2  MET  24           HB2      MET  24   5.275   7.115  -0.510
  169    HB3  MET  24           HB1      MET  24   6.686   7.611  -1.439
  170    HG2  MET  24           HG2      MET  24   5.404   7.282  -3.512
  171    HG3  MET  24           HG1      MET  24   3.989   6.864  -2.550
  172    HE1  MET  24           HE1      MET  24   2.782   8.545  -0.910
  173    HE2  MET  24           HE2      MET  24   3.249  10.232  -0.700
  174    HE3  MET  24           HE3      MET  24   4.298   8.947  -0.104
  175    H    GLU  25           HN       GLU  25   6.003   4.844   0.881
  176    HA   GLU  25           HA       GLU  25   8.808   5.095   1.526
  177    HB2  GLU  25           HB2      GLU  25   8.126   4.337   3.785
  178    HB3  GLU  25           HB1      GLU  25   7.224   5.735   3.226
  179    HG2  GLU  25           HG2      GLU  25   5.311   4.384   2.775
  180    HG3  GLU  25           HG1      GLU  25   6.220   2.907   3.094
  181    H    CYS  26           HN       CYS  26   6.854   2.710   0.218
  182    HA   CYS  26           HA       CYS  26   8.557   0.519   1.180
  183    HB2  CYS  26           HB2      CYS  26   6.021   0.405   1.402
  184    HB3  CYS  26           HB1      CYS  26   5.966   0.281  -0.350
  185    H    ILE  27           HN       ILE  27   9.339   2.461  -0.883
  186    HA   ILE  27           HA       ILE  27   9.271   1.243  -3.421
  187    HB   ILE  27           HB       ILE  27  11.438   2.600  -3.790
  188   HG12  ILE  27          HG12      ILE  27  10.549   3.754  -1.135
  189   HG13  ILE  27          HG11      ILE  27  12.026   2.835  -1.406
  190   HG21  ILE  27          HG21      ILE  27   8.851   3.954  -3.049
  191   HG22  ILE  27          HG22      ILE  27   9.279   3.291  -4.625
  192   HG23  ILE  27          HG23      ILE  27  10.150   4.687  -3.991
  193   HD11  ILE  27          HD11      ILE  27  12.837   4.584  -2.895
  194   HD12  ILE  27          HD12      ILE  27  12.470   5.215  -1.290
  195   HD13  ILE  27          HD13      ILE  27  11.357   5.502  -2.627
  196    H    GLU  28           HN       GLU  28  12.205   1.518  -1.435
  197    HA   GLU  28           HA       GLU  28  12.565  -1.331  -1.297
  198    HB2  GLU  28           HB2      GLU  28  14.374   0.391  -2.986
  199    HB3  GLU  28           HB1      GLU  28  14.979  -1.062  -2.209
  200    HG2  GLU  28           HG2      GLU  28  12.682  -0.976  -4.150
  201    HG3  GLU  28           HG1      GLU  28  14.344  -1.383  -4.569
  Start of MODEL    8
    1    HA   SER   1           HA       SER   1  -8.232  -8.060  -0.624
    2    HG   SER   1           HG       SER   1 -11.185  -9.365   1.351
    3    H1   SER   1           HT1      SER   1  -8.464  -6.517   1.241
    4    H2   SER   1           HT2      SER   1  -7.956  -8.055   1.714
    5    H3   SER   1           HT3      SER   1  -9.561  -7.582   1.967
    6    HB2  SER   1           HB2      SER   1 -10.342  -9.698  -0.629
    7    HB3  SER   1           HB1      SER   1  -8.796 -10.166   0.081
    8    H    SER   2           HN       SER   2 -10.729  -6.397   1.066
    9    HA   SER   2           HA       SER   2 -11.905  -5.524  -1.488
   10    HG   SER   2           HG       SER   2 -14.082  -4.695  -1.220
   11    HB2  SER   2           HB2      SER   2 -13.424  -6.318   0.369
   12    HB3  SER   2           HB1      SER   2 -12.863  -4.956   1.337
   13    H    ASP   3           HN       ASP   3  -9.264  -4.887  -0.305
   14    HA   ASP   3           HA       ASP   3  -9.537  -1.991   0.160
   15    HB2  ASP   3           HB2      ASP   3  -7.156  -3.594   1.051
   16    HB3  ASP   3           HB1      ASP   3  -7.758  -2.067   1.679
   17    H    PHE   4           HN       PHE   4  -7.004  -1.176  -0.113
   18    HA   PHE   4           HA       PHE   4  -6.269  -1.900  -2.866
   19    HD1  PHE   4           HD2      PHE   4  -6.746   0.501  -4.622
   20    HD2  PHE   4           HD1      PHE   4  -7.636   1.212  -0.523
   21    HE1  PHE   4           HE2      PHE   4  -8.806   1.675  -5.278
   22    HE2  PHE   4           HE1      PHE   4  -9.699   2.385  -1.169
   23    HZ   PHE   4           HZ       PHE   4 -10.286   2.618  -3.550
   24    HB2  PHE   4           HB2      PHE   4  -5.436   0.502  -1.207
   25    HB3  PHE   4           HB1      PHE   4  -5.055   0.230  -2.904
   26    H    CYS   5           HN       CYS   5  -4.538  -3.209  -3.099
   27    HA   CYS   5           HA       CYS   5  -2.969  -3.744  -0.680
   28    HG   CYS   5           HG       CYS   5  -5.733  -5.754  -1.913
   29    HB2  CYS   5           HB2      CYS   5  -3.404  -5.376  -3.181
   30    HB3  CYS   5           HB1      CYS   5  -2.333  -5.852  -1.869
   31    H    CYS   6           HN       CYS   6  -0.800  -3.710  -0.604
   32    HA   CYS   6           HA       CYS   6   0.658  -2.242  -2.606
   33    HB2  CYS   6           HB2      CYS   6   1.200  -1.994  -0.224
   34    HB3  CYS   6           HB1      CYS   6   1.579  -3.707  -0.116
   35    HA   PRO   7           HA       PRO   7   1.350  -5.979  -4.930
   36    HB2  PRO   7           HB2      PRO   7   2.736  -4.901  -6.973
   37    HB3  PRO   7           HB1      PRO   7   1.000  -4.634  -6.766
   38    HG2  PRO   7           HG2      PRO   7   3.290  -2.848  -6.034
   39    HG3  PRO   7           HG1      PRO   7   1.757  -2.434  -6.824
   40    HD2  PRO   7           HD2      PRO   7   2.201  -2.043  -4.168
   41    HD3  PRO   7           HD1      PRO   7   0.598  -2.390  -4.843
   42    H    LYS   8           HN       LYS   8   3.322  -5.111  -2.754
   43    HA   LYS   8           HA       LYS   8   5.614  -6.593  -3.824
   44    HB2  LYS   8           HB2      LYS   8   5.736  -3.952  -2.363
   45    HB3  LYS   8           HB1      LYS   8   7.120  -5.026  -2.517
   46    HG2  LYS   8           HG2      LYS   8   5.596  -3.904  -4.861
   47    HG3  LYS   8           HG1      LYS   8   7.059  -3.182  -4.188
   48    HD2  LYS   8           HD2      LYS   8   6.971  -6.045  -5.103
   49    HD3  LYS   8           HD1      LYS   8   7.322  -4.722  -6.217
   50    HE2  LYS   8           HE2      LYS   8   8.858  -5.231  -3.671
   51    HE3  LYS   8           HE1      LYS   8   9.337  -5.858  -5.249
   52    HZ1  LYS   8           HZ1      LYS   8   9.030  -2.984  -4.548
   53    HZ2  LYS   8           HZ2      LYS   8   9.471  -3.583  -6.068
   54    HZ3  LYS   8           HZ3      LYS   8  10.503  -3.804  -4.739
   55    H    CYS   9           HN       CYS   9   3.492  -5.859  -1.221
   56    HA   CYS   9           HA       CYS   9   4.543  -8.054   0.329
   57    HB2  CYS   9           HB2      CYS   9   4.857  -6.746   2.383
   58    HB3  CYS   9           HB1      CYS   9   5.946  -6.189   1.116
   59    H    GLN  10           HN       GLN  10   3.162  -8.284   2.389
   60    HA   GLN  10           HA       GLN  10   0.426  -8.179   1.526
   61    HB2  GLN  10           HB2      GLN  10  -0.053  -9.350   3.676
   62    HB3  GLN  10           HB1      GLN  10   1.127 -10.169   2.663
   63    HG2  GLN  10           HG2      GLN  10   2.798  -9.893   4.148
   64    HG3  GLN  10           HG1      GLN  10   2.220  -8.311   4.671
   65   HE21  GLN  10          HE21      GLN  10   2.466  -8.801   6.837
   66   HE22  GLN  10          HE22      GLN  10   1.392  -9.885   7.669
   67    H    TYR  11           HN       TYR  11   0.561  -5.756   1.455
   68    HA   TYR  11           HA       TYR  11  -0.399  -4.724   4.042
   69    HD1  TYR  11           HD1      TYR  11   1.191  -2.722   5.527
   70    HD2  TYR  11           HD2      TYR  11  -0.589  -1.248   1.957
   71    HE1  TYR  11           HE1      TYR  11   0.468  -0.701   6.726
   72    HE2  TYR  11           HE2      TYR  11  -1.316   0.777   3.147
   73    HH   TYR  11           HH       TYR  11  -0.107   1.678   6.137
   74    HB2  TYR  11           HB2      TYR  11   1.757  -3.672   3.326
   75    HB3  TYR  11           HB1      TYR  11   0.947  -3.094   1.872
   76    H    GLN  12           HN       GLN  12  -2.516  -4.665   3.921
   77    HA   GLN  12           HA       GLN  12  -3.772  -3.902   1.369
   78    HB2  GLN  12           HB2      GLN  12  -5.068  -5.324   3.704
   79    HB3  GLN  12           HB1      GLN  12  -5.723  -5.121   2.084
   80    HG2  GLN  12           HG2      GLN  12  -3.949  -6.547   1.190
   81    HG3  GLN  12           HG1      GLN  12  -3.299  -6.753   2.815
   82   HE21  GLN  12          HE21      GLN  12  -3.580  -8.965   2.818
   83   HE22  GLN  12          HE22      GLN  12  -5.140  -9.709   2.893
   84    H    ALA  13           HN       ALA  13  -3.906  -1.728   1.490
   85    HA   ALA  13           HA       ALA  13  -4.748  -0.427   3.962
   86    HB1  ALA  13           HB1      ALA  13  -2.862   0.496   2.681
   87    HB2  ALA  13           HB2      ALA  13  -4.187   1.647   2.847
   88    HB3  ALA  13           HB3      ALA  13  -3.947   0.791   1.322
   89    HA   PRO  14           HA       PRO  14  -8.959  -0.325   2.477
   90    HB2  PRO  14           HB2      PRO  14  -9.470   1.522   4.691
   91    HB3  PRO  14           HB1      PRO  14 -10.078  -0.118   4.446
   92    HG2  PRO  14           HG2      PRO  14  -8.289   0.463   6.377
   93    HG3  PRO  14           HG1      PRO  14  -8.281  -1.090   5.517
   94    HD2  PRO  14           HD2      PRO  14  -6.563   1.332   5.068
   95    HD3  PRO  14           HD1      PRO  14  -6.084  -0.379   5.134
   96    H    ASP  15           HN       ASP  15  -7.017   2.453   3.232
   97    HA   ASP  15           HA       ASP  15  -8.694   4.172   1.534
   98    HB2  ASP  15           HB2      ASP  15  -8.365   5.116   3.718
   99    HB3  ASP  15           HB1      ASP  15  -6.635   4.815   3.646
  100    H    MET  16           HN       MET  16  -7.892   4.982  -0.353
  101    HA   MET  16           HA       MET  16  -5.722   3.578  -1.510
  102    HB2  MET  16           HB2      MET  16  -7.656   4.346  -2.819
  103    HB3  MET  16           HB1      MET  16  -7.160   6.014  -2.565
  104    HG2  MET  16           HG2      MET  16  -5.104   5.613  -3.791
  105    HG3  MET  16           HG1      MET  16  -5.546   3.921  -4.006
  106    HE1  MET  16           HE1      MET  16  -7.856   7.440  -5.892
  107    HE2  MET  16           HE2      MET  16  -6.418   7.638  -4.891
  108    HE3  MET  16           HE3      MET  16  -7.919   7.052  -4.174
  109    H    ASP  17           HN       ASP  17  -6.041   6.931  -0.367
  110    HA   ASP  17           HA       ASP  17  -3.513   7.834  -1.201
  111    HB2  ASP  17           HB2      ASP  17  -5.213   8.663   1.157
  112    HB3  ASP  17           HB1      ASP  17  -3.698   9.458   0.748
  113    H    THR  18           HN       THR  18  -4.561   6.322   1.804
  114    HA   THR  18           HA       THR  18  -2.192   6.265   3.224
  115    HB   THR  18           HB       THR  18  -4.331   4.131   3.097
  116    HG1  THR  18           HG1      THR  18  -5.143   6.193   3.661
  117   HG21  THR  18          HG21      THR  18  -2.346   4.714   5.297
  118   HG22  THR  18          HG22      THR  18  -2.263   3.341   4.191
  119   HG23  THR  18          HG23      THR  18  -3.609   3.482   5.324
  120    H    LEU  19           HN       LEU  19  -3.346   3.968   0.753
  121    HA   LEU  19           HA       LEU  19  -1.144   2.218   0.880
  122    HG   LEU  19           HG       LEU  19  -0.799   1.679  -2.103
  123    HB2  LEU  19           HB2      LEU  19  -3.206   1.607  -0.280
  124    HB3  LEU  19           HB1      LEU  19  -2.928   2.868  -1.471
  125   HD11  LEU  19          HD11      LEU  19  -1.968  -0.513  -0.399
  126   HD12  LEU  19          HD12      LEU  19  -0.488   0.390  -0.074
  127   HD13  LEU  19          HD13      LEU  19  -0.582  -0.670  -1.479
  128   HD21  LEU  19          HD21      LEU  19  -1.922  -0.009  -3.454
  129   HD22  LEU  19          HD22      LEU  19  -2.827   1.504  -3.442
  130   HD23  LEU  19          HD23      LEU  19  -3.370   0.145  -2.459
  131    H    GLN  20           HN       GLN  20  -1.781   5.013  -1.232
  132    HA   GLN  20           HA       GLN  20   0.555   4.830  -2.753
  133    HB2  GLN  20           HB2      GLN  20  -1.168   7.206  -2.068
  134    HB3  GLN  20           HB1      GLN  20   0.160   7.277  -3.220
  135    HG2  GLN  20           HG2      GLN  20  -0.934   5.528  -4.555
  136    HG3  GLN  20           HG1      GLN  20  -2.283   5.534  -3.419
  137   HE21  GLN  20          HE21      GLN  20  -0.625   7.322  -5.911
  138   HE22  GLN  20          HE22      GLN  20  -1.903   8.445  -6.233
  139    H    ILE  21           HN       ILE  21  -0.063   6.547   0.285
  140    HA   ILE  21           HA       ILE  21   2.481   7.713   0.578
  141    HB   ILE  21           HB       ILE  21   0.650   6.694   2.766
  142   HG12  ILE  21          HG12      ILE  21   0.894   9.463   1.563
  143   HG13  ILE  21          HG11      ILE  21  -0.417   8.331   1.243
  144   HG21  ILE  21          HG21      ILE  21   2.935   7.075   3.554
  145   HG22  ILE  21          HG22      ILE  21   1.824   8.272   4.218
  146   HG23  ILE  21          HG23      ILE  21   2.896   8.708   2.890
  147   HD11  ILE  21          HD11      ILE  21  -1.080  10.015   2.853
  148   HD12  ILE  21          HD12      ILE  21   0.252   9.549   3.911
  149   HD13  ILE  21          HD13      ILE  21  -1.061   8.414   3.593
  150    H    HIS  22           HN       HIS  22   1.198   4.623   1.782
  151    HA   HIS  22           HA       HIS  22   3.507   3.625   2.953
  152    HD1  HIS  22           HD1      HIS  22   3.287   0.910   4.491
  153    HD2  HIS  22           HD2      HIS  22   2.496   0.040   0.496
  154    HE1  HIS  22           HE1      HIS  22   4.246  -1.395   4.054
  155    HB2  HIS  22           HB2      HIS  22   1.455   2.460   3.324
  156    HB3  HIS  22           HB1      HIS  22   1.207   2.209   1.600
  157    H    VAL  23           HN       VAL  23   2.420   3.331  -0.425
  158    HA   VAL  23           HA       VAL  23   4.463   1.588  -1.254
  159    HB   VAL  23           HB       VAL  23   2.929   3.612  -2.906
  160   HG11  VAL  23          HG11      VAL  23   3.564   2.250  -4.839
  161   HG12  VAL  23          HG12      VAL  23   4.563   1.239  -3.794
  162   HG13  VAL  23          HG13      VAL  23   4.978   2.937  -4.036
  163   HG21  VAL  23          HG21      VAL  23   1.540   1.702  -3.545
  164   HG22  VAL  23          HG22      VAL  23   1.491   1.964  -1.802
  165   HG23  VAL  23          HG23      VAL  23   2.469   0.657  -2.471
  166    H    MET  24           HN       MET  24   4.353   5.114  -1.023
  167    HA   MET  24           HA       MET  24   6.810   5.598  -2.358
  168    HB2  MET  24           HB2      MET  24   5.304   7.230  -0.316
  169    HB3  MET  24           HB1      MET  24   6.760   7.792  -1.125
  170    HG2  MET  24           HG2      MET  24   5.616   7.552  -3.292
  171    HG3  MET  24           HG1      MET  24   4.151   7.070  -2.435
  172    HE1  MET  24           HE1      MET  24   6.756   9.848  -1.297
  173    HE2  MET  24           HE2      MET  24   6.085  11.254  -2.125
  174    HE3  MET  24           HE3      MET  24   6.749   9.912  -3.059
  175    H    GLU  25           HN       GLU  25   5.996   4.733   0.939
  176    HA   GLU  25           HA       GLU  25   8.700   5.037   1.914
  177    HB2  GLU  25           HB2      GLU  25   6.461   3.394   3.114
  178    HB3  GLU  25           HB1      GLU  25   7.891   4.000   3.935
  179    HG2  GLU  25           HG2      GLU  25   7.094   6.269   3.721
  180    HG3  GLU  25           HG1      GLU  25   5.693   5.717   2.803
  181    H    CYS  26           HN       CYS  26   6.790   2.649   0.351
  182    HA   CYS  26           HA       CYS  26   8.542   0.443   1.129
  183    HB2  CYS  26           HB2      CYS  26   6.031   0.323   1.375
  184    HB3  CYS  26           HB1      CYS  26   5.926   0.350  -0.379
  185    H    ILE  27           HN       ILE  27   9.295   2.503  -0.910
  186    HA   ILE  27           HA       ILE  27   9.278   1.067  -3.412
  187    HB   ILE  27           HB       ILE  27  10.925   3.484  -2.633
  188   HG12  ILE  27          HG12      ILE  27   8.316   3.304  -4.161
  189   HG13  ILE  27          HG11      ILE  27   8.500   3.912  -2.521
  190   HG21  ILE  27          HG21      ILE  27  10.321   2.300  -5.341
  191   HG22  ILE  27          HG22      ILE  27  11.872   2.246  -4.501
  192   HG23  ILE  27          HG23      ILE  27  11.215   3.791  -5.042
  193   HD11  ILE  27          HD11      ILE  27   9.703   5.137  -4.994
  194   HD12  ILE  27          HD12      ILE  27   9.882   5.740  -3.347
  195   HD13  ILE  27          HD13      ILE  27   8.294   5.729  -4.113
  196    H    GLU  28           HN       GLU  28  10.283  -0.866  -3.155
  197    HA   GLU  28           HA       GLU  28  13.109  -0.790  -2.346
  198    HB2  GLU  28           HB2      GLU  28  11.686  -2.002  -0.717
  199    HB3  GLU  28           HB1      GLU  28  11.154  -3.076  -2.002
  200    HG2  GLU  28           HG2      GLU  28  12.826  -4.193  -0.721
  201    HG3  GLU  28           HG1      GLU  28  13.499  -3.804  -2.302
  Start of MODEL    9
    1    HA   SER   1           HA       SER   1 -13.778  -5.320   3.507
    2    HG   SER   1           HG       SER   1 -15.859  -7.529   1.783
    3    H1   SER   1           HT1      SER   1 -14.231  -3.510   1.209
    4    H2   SER   1           HT2      SER   1 -12.941  -3.392   2.308
    5    H3   SER   1           HT3      SER   1 -14.538  -3.174   2.844
    6    HB2  SER   1           HB2      SER   1 -16.148  -5.061   2.796
    7    HB3  SER   1           HB1      SER   1 -15.691  -5.541   1.163
    8    H    SER   2           HN       SER   2 -13.125  -4.530   0.181
    9    HA   SER   2           HA       SER   2 -11.306  -6.838   0.069
   10    HG   SER   2           HG       SER   2 -13.113  -7.620  -1.385
   11    HB2  SER   2           HB2      SER   2 -12.215  -5.048  -2.200
   12    HB3  SER   2           HB1      SER   2 -11.254  -6.520  -2.346
   13    H    ASP   3           HN       ASP   3 -11.548  -3.411  -0.814
   14    HA   ASP   3           HA       ASP   3 -10.172  -1.647  -0.550
   15    HB2  ASP   3           HB2      ASP   3  -8.893  -3.452   1.510
   16    HB3  ASP   3           HB1      ASP   3  -8.512  -1.743   1.320
   17    H    PHE   4           HN       PHE   4  -7.463  -1.341  -0.164
   18    HA   PHE   4           HA       PHE   4  -6.504  -2.436  -2.710
   19    HD1  PHE   4           HD2      PHE   4  -6.562  -0.989  -4.597
   20    HD2  PHE   4           HD1      PHE   4  -7.096   1.716  -1.356
   21    HE1  PHE   4           HE2      PHE   4  -8.145   0.316  -5.951
   22    HE2  PHE   4           HE1      PHE   4  -8.687   3.016  -2.702
   23    HZ   PHE   4           HZ       PHE   4  -9.214   2.318  -5.000
   24    HB2  PHE   4           HB2      PHE   4  -5.611  -0.022  -1.120
   25    HB3  PHE   4           HB1      PHE   4  -4.821  -0.584  -2.591
   26    H    CYS   5           HN       CYS   5  -4.222  -3.004  -2.876
   27    HA   CYS   5           HA       CYS   5  -2.984  -3.826  -0.360
   28    HG   CYS   5           HG       CYS   5  -0.822  -6.190  -1.894
   29    HB2  CYS   5           HB2      CYS   5  -4.150  -5.818  -1.147
   30    HB3  CYS   5           HB1      CYS   5  -3.435  -5.639  -2.745
   31    H    CYS   6           HN       CYS   6  -0.771  -3.751  -0.378
   32    HA   CYS   6           HA       CYS   6   0.573  -2.282  -2.381
   33    HB2  CYS   6           HB2      CYS   6   1.465  -2.277  -0.148
   34    HB3  CYS   6           HB1      CYS   6   1.610  -4.031  -0.137
   35    HA   PRO   7           HA       PRO   7   1.118  -5.464  -5.384
   36    HB2  PRO   7           HB2      PRO   7   2.971  -4.278  -6.951
   37    HB3  PRO   7           HB1      PRO   7   1.293  -3.727  -6.880
   38    HG2  PRO   7           HG2      PRO   7   3.707  -2.627  -5.488
   39    HG3  PRO   7           HG1      PRO   7   2.406  -1.757  -6.323
   40    HD2  PRO   7           HD2      PRO   7   2.498  -2.030  -3.628
   41    HD3  PRO   7           HD1      PRO   7   0.972  -1.923  -4.528
   42    H    LYS   8           HN       LYS   8   3.409  -4.844  -3.036
   43    HA   LYS   8           HA       LYS   8   5.172  -6.946  -4.116
   44    HB2  LYS   8           HB2      LYS   8   5.908  -4.659  -2.276
   45    HB3  LYS   8           HB1      LYS   8   6.974  -5.995  -2.674
   46    HG2  LYS   8           HG2      LYS   8   7.038  -5.322  -4.979
   47    HG3  LYS   8           HG1      LYS   8   5.843  -4.057  -4.681
   48    HD2  LYS   8           HD2      LYS   8   7.391  -2.926  -3.179
   49    HD3  LYS   8           HD1      LYS   8   8.572  -4.217  -3.403
   50    HE2  LYS   8           HE2      LYS   8   8.792  -3.661  -5.747
   51    HE3  LYS   8           HE1      LYS   8   7.527  -2.442  -5.603
   52    HZ1  LYS   8           HZ1      LYS   8  10.124  -2.367  -4.165
   53    HZ2  LYS   8           HZ2      LYS   8   8.924  -1.171  -4.132
   54    HZ3  LYS   8           HZ3      LYS   8   9.769  -1.488  -5.568
   55    H    CYS   9           HN       CYS   9   4.977  -5.526  -0.877
   56    HA   CYS   9           HA       CYS   9   4.643  -8.115   0.333
   57    HB2  CYS   9           HB2      CYS   9   4.617  -6.919   2.442
   58    HB3  CYS   9           HB1      CYS   9   5.899  -6.255   1.435
   59    H    GLN  10           HN       GLN  10   2.827  -8.716   1.646
   60    HA   GLN  10           HA       GLN  10   0.314  -7.955   0.461
   61    HB2  GLN  10           HB2      GLN  10   0.908  -9.830   2.760
   62    HB3  GLN  10           HB1      GLN  10  -0.668  -9.619   2.006
   63    HG2  GLN  10           HG2      GLN  10   0.317 -10.376  -0.139
   64    HG3  GLN  10           HG1      GLN  10   1.822 -10.710   0.716
   65   HE21  GLN  10          HE21      GLN  10   0.051 -12.510  -0.735
   66   HE22  GLN  10          HE22      GLN  10  -0.432 -13.729   0.400
   67    H    TYR  11           HN       TYR  11   0.232  -5.778   1.004
   68    HA   TYR  11           HA       TYR  11  -0.338  -5.247   3.839
   69    HD1  TYR  11           HD1      TYR  11   1.000  -3.488   5.476
   70    HD2  TYR  11           HD2      TYR  11  -0.331  -1.358   2.041
   71    HE1  TYR  11           HE1      TYR  11   0.418  -1.576   6.898
   72    HE2  TYR  11           HE2      TYR  11  -0.917   0.563   3.454
   73    HH   TYR  11           HH       TYR  11   0.185   1.067   6.439
   74    HB2  TYR  11           HB2      TYR  11   1.705  -4.106   3.116
   75    HB3  TYR  11           HB1      TYR  11   0.838  -3.378   1.768
   76    H    GLN  12           HN       GLN  12  -2.449  -5.115   4.076
   77    HA   GLN  12           HA       GLN  12  -4.183  -4.233   1.961
   78    HB2  GLN  12           HB2      GLN  12  -4.770  -4.887   4.860
   79    HB3  GLN  12           HB1      GLN  12  -5.993  -4.516   3.655
   80    HG2  GLN  12           HG2      GLN  12  -5.983  -6.845   3.825
   81    HG3  GLN  12           HG1      GLN  12  -5.099  -6.490   2.342
   82   HE21  GLN  12          HE21      GLN  12  -3.791  -6.108   5.571
   83   HE22  GLN  12          HE22      GLN  12  -2.616  -7.378   5.455
   84    H    ALA  13           HN       ALA  13  -4.857  -2.236   1.604
   85    HA   ALA  13           HA       ALA  13  -4.511  -0.226   3.737
   86    HB1  ALA  13           HB1      ALA  13  -4.049   0.158   0.780
   87    HB2  ALA  13           HB2      ALA  13  -2.799   0.082   2.023
   88    HB3  ALA  13           HB3      ALA  13  -3.951   1.418   2.010
   89    HA   PRO  14           HA       PRO  14  -8.928   0.055   3.025
   90    HB2  PRO  14           HB2      PRO  14  -9.341   2.131   4.766
   91    HB3  PRO  14           HB1      PRO  14  -9.205   0.442   5.263
   92    HG2  PRO  14           HG2      PRO  14  -7.142   2.604   5.325
   93    HG3  PRO  14           HG1      PRO  14  -7.485   1.350   6.530
   94    HD2  PRO  14           HD2      PRO  14  -5.414   1.167   4.811
   95    HD3  PRO  14           HD1      PRO  14  -6.308  -0.262   5.373
   96    H    ASP  15           HN       ASP  15  -6.842   2.909   3.165
   97    HA   ASP  15           HA       ASP  15  -8.524   4.213   1.146
   98    HB2  ASP  15           HB2      ASP  15  -6.759   5.230   3.313
   99    HB3  ASP  15           HB1      ASP  15  -6.809   6.165   1.822
  100    H    MET  16           HN       MET  16  -7.703   4.825  -0.801
  101    HA   MET  16           HA       MET  16  -5.332   3.628  -1.777
  102    HB2  MET  16           HB2      MET  16  -7.288   4.334  -3.176
  103    HB3  MET  16           HB1      MET  16  -6.821   6.006  -2.918
  104    HG2  MET  16           HG2      MET  16  -4.857   4.090  -4.093
  105    HG3  MET  16           HG1      MET  16  -6.137   4.761  -5.099
  106    HE1  MET  16           HE1      MET  16  -5.438   8.618  -4.661
  107    HE2  MET  16           HE2      MET  16  -6.444   7.602  -3.630
  108    HE3  MET  16           HE3      MET  16  -6.506   7.415  -5.381
  109    H    ASP  17           HN       ASP  17  -6.098   6.671  -0.276
  110    HA   ASP  17           HA       ASP  17  -3.741   8.118  -0.590
  111    HB2  ASP  17           HB2      ASP  17  -5.790   8.899   0.606
  112    HB3  ASP  17           HB1      ASP  17  -5.375   7.837   1.938
  113    H    THR  18           HN       THR  18  -4.607   6.050   2.136
  114    HA   THR  18           HA       THR  18  -2.211   5.768   3.426
  115    HB   THR  18           HB       THR  18  -4.228   3.562   2.970
  116    HG1  THR  18           HG1      THR  18  -4.305   5.021   5.325
  117   HG21  THR  18          HG21      THR  18  -2.271   3.982   5.234
  118   HG22  THR  18          HG22      THR  18  -2.139   2.761   3.968
  119   HG23  THR  18          HG23      THR  18  -3.470   2.690   5.126
  120    H    LEU  19           HN       LEU  19  -3.398   3.841   0.692
  121    HA   LEU  19           HA       LEU  19  -1.256   2.067   0.478
  122    HG   LEU  19           HG       LEU  19  -1.014   1.972  -2.596
  123    HB2  LEU  19           HB2      LEU  19  -3.374   1.798  -0.722
  124    HB3  LEU  19           HB1      LEU  19  -3.002   3.203  -1.705
  125   HD11  LEU  19          HD11      LEU  19  -0.946  -0.459  -2.305
  126   HD12  LEU  19          HD12      LEU  19  -2.257  -0.347  -1.129
  127   HD13  LEU  19          HD13      LEU  19  -0.695   0.396  -0.782
  128   HD21  LEU  19          HD21      LEU  19  -2.315   0.511  -4.071
  129   HD22  LEU  19          HD22      LEU  19  -3.073   2.088  -3.868
  130   HD23  LEU  19          HD23      LEU  19  -3.708   0.687  -3.007
  131    H    GLN  20           HN       GLN  20  -1.786   5.148  -1.234
  132    HA   GLN  20           HA       GLN  20   0.603   5.140  -2.688
  133    HB2  GLN  20           HB2      GLN  20  -1.279   6.640  -3.171
  134    HB3  GLN  20           HB1      GLN  20  -0.977   7.507  -1.672
  135    HG2  GLN  20           HG2      GLN  20   1.165   8.253  -2.493
  136    HG3  GLN  20           HG1      GLN  20   0.960   7.310  -3.967
  137   HE21  GLN  20          HE21      GLN  20  -1.615   9.086  -2.407
  138   HE22  GLN  20          HE22      GLN  20  -1.822  10.262  -3.661
  139    H    ILE  21           HN       ILE  21  -0.134   6.454   0.520
  140    HA   ILE  21           HA       ILE  21   2.327   7.674   1.056
  141    HB   ILE  21           HB       ILE  21   0.469   6.282   3.000
  142   HG12  ILE  21          HG12      ILE  21   0.666   9.214   2.289
  143   HG13  ILE  21          HG11      ILE  21  -0.535   8.116   1.618
  144   HG21  ILE  21          HG21      ILE  21   1.504   7.729   4.703
  145   HG22  ILE  21          HG22      ILE  21   2.661   8.296   3.498
  146   HG23  ILE  21          HG23      ILE  21   2.657   6.602   3.989
  147   HD11  ILE  21          HD11      ILE  21  -1.447   9.456   3.420
  148   HD12  ILE  21          HD12      ILE  21  -0.228   8.819   4.525
  149   HD13  ILE  21          HD13      ILE  21  -1.445   7.742   3.836
  150    H    HIS  22           HN       HIS  22   1.210   4.388   1.811
  151    HA   HIS  22           HA       HIS  22   3.608   3.423   2.884
  152    HD1  HIS  22           HD1      HIS  22   3.573   0.561   4.163
  153    HD2  HIS  22           HD2      HIS  22   2.558  -0.025   0.171
  154    HE1  HIS  22           HE1      HIS  22   4.591  -1.650   3.486
  155    HB2  HIS  22           HB2      HIS  22   1.616   2.132   3.205
  156    HB3  HIS  22           HB1      HIS  22   1.325   2.027   1.473
  157    H    VAL  23           HN       VAL  23   2.398   3.266  -0.480
  158    HA   VAL  23           HA       VAL  23   4.491   1.702  -1.481
  159    HB   VAL  23           HB       VAL  23   2.783   3.721  -2.957
  160   HG11  VAL  23          HG11      VAL  23   4.496   1.498  -4.075
  161   HG12  VAL  23          HG12      VAL  23   4.842   3.226  -4.204
  162   HG13  VAL  23          HG13      VAL  23   3.420   2.548  -4.999
  163   HG21  VAL  23          HG21      VAL  23   2.551   0.729  -2.688
  164   HG22  VAL  23          HG22      VAL  23   1.495   1.768  -3.647
  165   HG23  VAL  23          HG23      VAL  23   1.526   1.919  -1.888
  166    H    MET  24           HN       MET  24   4.310   5.194  -1.005
  167    HA   MET  24           HA       MET  24   6.693   5.817  -2.426
  168    HB2  MET  24           HB2      MET  24   5.294   7.272  -0.179
  169    HB3  MET  24           HB1      MET  24   6.677   7.914  -1.055
  170    HG2  MET  24           HG2      MET  24   5.392   7.827  -3.138
  171    HG3  MET  24           HG1      MET  24   4.002   7.211  -2.245
  172    HE1  MET  24           HE1      MET  24   4.310   8.925   0.477
  173    HE2  MET  24           HE2      MET  24   2.766   8.613  -0.316
  174    HE3  MET  24           HE3      MET  24   3.216  10.261   0.123
  175    H    GLU  25           HN       GLU  25   6.020   5.023   0.941
  176    HA   GLU  25           HA       GLU  25   8.818   5.174   1.700
  177    HB2  GLU  25           HB2      GLU  25   6.390   4.196   3.219
  178    HB3  GLU  25           HB1      GLU  25   7.987   4.414   3.908
  179    HG2  GLU  25           HG2      GLU  25   7.846   6.819   3.423
  180    HG3  GLU  25           HG1      GLU  25   6.221   6.570   2.783
  181    H    CYS  26           HN       CYS  26   7.162   3.045  -0.054
  182    HA   CYS  26           HA       CYS  26   7.686   0.622   1.387
  183    HB2  CYS  26           HB2      CYS  26   5.571   0.922   0.221
  184    HB3  CYS  26           HB1      CYS  26   6.420   1.117  -1.305
  185    H    ILE  27           HN       ILE  27   9.495  -0.409   1.278
  186    HA   ILE  27           HA       ILE  27  10.942  -0.557  -1.278
  187    HB   ILE  27           HB       ILE  27  12.732  -1.702  -0.015
  188   HG12  ILE  27          HG12      ILE  27  11.082  -1.061   2.443
  189   HG13  ILE  27          HG11      ILE  27  11.286  -2.671   1.761
  190   HG21  ILE  27          HG21      ILE  27  12.825   0.714  -0.319
  191   HG22  ILE  27          HG22      ILE  27  13.529   0.252   1.230
  192   HG23  ILE  27          HG23      ILE  27  11.910   0.948   1.170
  193   HD11  ILE  27          HD11      ILE  27  13.478  -0.942   2.887
  194   HD12  ILE  27          HD12      ILE  27  13.683  -2.555   2.204
  195   HD13  ILE  27          HD13      ILE  27  12.738  -2.334   3.676
  196    H    GLU  28           HN       GLU  28   8.909  -2.216   0.902
  197    HA   GLU  28           HA       GLU  28   8.592  -4.403  -0.986
  198    HB2  GLU  28           HB2      GLU  28  10.178  -5.299   0.670
  199    HB3  GLU  28           HB1      GLU  28   9.089  -4.835   1.972
  200    HG2  GLU  28           HG2      GLU  28   7.386  -6.360   1.014
  201    HG3  GLU  28           HG1      GLU  28   8.587  -6.896  -0.157
  Start of MODEL   10
    1    HA   SER   1           HA       SER   1 -14.082  -2.058  -4.528
    2    HG   SER   1           HG       SER   1 -15.854  -3.933  -1.779
    3    H1   SER   1           HT1      SER   1 -13.215  -4.427  -2.983
    4    H2   SER   1           HT2      SER   1 -12.188  -3.351  -3.793
    5    H3   SER   1           HT3      SER   1 -13.294  -4.293  -4.671
    6    HB2  SER   1           HB2      SER   1 -16.282  -2.544  -3.391
    7    HB3  SER   1           HB1      SER   1 -15.783  -3.740  -4.587
    8    H    SER   2           HN       SER   2 -12.431  -3.008  -1.778
    9    HA   SER   2           HA       SER   2 -13.193  -0.497  -0.472
   10    HG   SER   2           HG       SER   2 -12.231  -3.545   1.740
   11    HB2  SER   2           HB2      SER   2 -13.062  -1.621   1.752
   12    HB3  SER   2           HB1      SER   2 -14.399  -2.198   0.758
   13    H    ASP   3           HN       ASP   3 -10.941  -3.176   0.186
   14    HA   ASP   3           HA       ASP   3  -8.903  -1.202   0.877
   15    HB2  ASP   3           HB2      ASP   3  -8.876  -4.208   1.255
   16    HB3  ASP   3           HB1      ASP   3  -7.724  -3.061   1.930
   17    H    PHE   4           HN       PHE   4  -6.799  -1.313   0.073
   18    HA   PHE   4           HA       PHE   4  -6.502  -2.736  -2.497
   19    HD1  PHE   4           HD2      PHE   4  -7.120  -1.005  -4.568
   20    HD2  PHE   4           HD1      PHE   4  -6.644   1.387  -1.078
   21    HE1  PHE   4           HE2      PHE   4  -8.988   0.419  -5.297
   22    HE2  PHE   4           HE1      PHE   4  -8.516   2.816  -1.802
   23    HZ   PHE   4           HZ       PHE   4  -9.674   2.359  -3.891
   24    HB2  PHE   4           HB2      PHE   4  -5.040  -0.237  -1.600
   25    HB3  PHE   4           HB1      PHE   4  -4.989  -0.976  -3.195
   26    H    CYS   5           HN       CYS   5  -4.232  -3.394  -2.977
   27    HA   CYS   5           HA       CYS   5  -2.780  -4.047  -0.500
   28    HG   CYS   5           HG       CYS   5  -0.556  -6.462  -2.130
   29    HB2  CYS   5           HB2      CYS   5  -3.874  -6.042  -1.447
   30    HB3  CYS   5           HB1      CYS   5  -3.044  -5.770  -2.976
   31    H    CYS   6           HN       CYS   6  -0.525  -4.116  -0.621
   32    HA   CYS   6           HA       CYS   6   0.640  -2.329  -2.561
   33    HB2  CYS   6           HB2      CYS   6   1.432  -2.190  -0.284
   34    HB3  CYS   6           HB1      CYS   6   1.842  -3.903  -0.274
   35    HA   PRO   7           HA       PRO   7   1.738  -5.705  -5.311
   36    HB2  PRO   7           HB2      PRO   7   2.871  -4.212  -7.238
   37    HB3  PRO   7           HB1      PRO   7   1.121  -4.245  -6.989
   38    HG2  PRO   7           HG2      PRO   7   3.123  -2.209  -6.086
   39    HG3  PRO   7           HG1      PRO   7   1.530  -1.958  -6.826
   40    HD2  PRO   7           HD2      PRO   7   1.967  -1.779  -4.144
   41    HD3  PRO   7           HD1      PRO   7   0.418  -2.293  -4.843
   42    H    LYS   8           HN       LYS   8   3.494  -4.928  -3.055
   43    HA   LYS   8           HA       LYS   8   6.067  -5.703  -4.227
   44    HB2  LYS   8           HB2      LYS   8   5.681  -3.496  -2.189
   45    HB3  LYS   8           HB1      LYS   8   7.233  -4.126  -2.714
   46    HG2  LYS   8           HG2      LYS   8   5.283  -2.925  -4.647
   47    HG3  LYS   8           HG1      LYS   8   6.428  -1.938  -3.738
   48    HD2  LYS   8           HD2      LYS   8   7.201  -4.250  -5.523
   49    HD3  LYS   8           HD1      LYS   8   7.217  -2.556  -6.017
   50    HE2  LYS   8           HE2      LYS   8   8.793  -2.103  -4.132
   51    HE3  LYS   8           HE1      LYS   8   8.864  -3.839  -3.844
   52    HZ1  LYS   8           HZ1      LYS   8  10.722  -3.147  -5.182
   53    HZ2  LYS   8           HZ2      LYS   8   9.692  -2.437  -6.328
   54    HZ3  LYS   8           HZ3      LYS   8   9.694  -4.120  -6.121
   55    H    CYS   9           HN       CYS   9   3.832  -5.666  -1.564
   56    HA   CYS   9           HA       CYS   9   5.006  -7.965  -0.333
   57    HB2  CYS   9           HB2      CYS   9   5.445  -6.888   1.855
   58    HB3  CYS   9           HB1      CYS   9   6.496  -6.254   0.591
   59    H    GLN  10           HN       GLN  10   3.763  -8.389   1.833
   60    HA   GLN  10           HA       GLN  10   0.963  -8.125   1.237
   61    HB2  GLN  10           HB2      GLN  10   2.581  -9.560   3.279
   62    HB3  GLN  10           HB1      GLN  10   0.907  -9.209   3.675
   63    HG2  GLN  10           HG2      GLN  10   1.063 -11.411   2.749
   64    HG3  GLN  10           HG1      GLN  10   0.200 -10.366   1.624
   65   HE21  GLN  10          HE21      GLN  10   0.628 -11.684  -0.098
   66   HE22  GLN  10          HE22      GLN  10   2.196 -11.819  -0.816
   67    H    TYR  11           HN       TYR  11   0.064  -6.212   1.533
   68    HA   TYR  11           HA       TYR  11  -0.142  -5.158   4.194
   69    HD1  TYR  11           HD1      TYR  11   1.336  -3.121   5.682
   70    HD2  TYR  11           HD2      TYR  11  -0.234  -1.550   2.057
   71    HE1  TYR  11           HE1      TYR  11   0.658  -1.079   6.870
   72    HE2  TYR  11           HE2      TYR  11  -0.917   0.498   3.230
   73    HH   TYR  11           HH       TYR  11  -1.455   1.202   5.537
   74    HB2  TYR  11           HB2      TYR  11   1.943  -4.076   3.491
   75    HB3  TYR  11           HB1      TYR  11   1.166  -3.492   2.023
   76    H    GLN  12           HN       GLN  12  -2.160  -4.480   4.447
   77    HA   GLN  12           HA       GLN  12  -3.751  -3.938   2.041
   78    HB2  GLN  12           HB2      GLN  12  -4.647  -4.552   4.861
   79    HB3  GLN  12           HB1      GLN  12  -5.713  -4.292   3.489
   80    HG2  GLN  12           HG2      GLN  12  -4.692  -6.260   2.386
   81    HG3  GLN  12           HG1      GLN  12  -3.762  -6.551   3.856
   82   HE21  GLN  12          HE21      GLN  12  -4.722  -8.536   4.225
   83   HE22  GLN  12          HE22      GLN  12  -6.365  -8.701   4.748
   84    H    ALA  13           HN       ALA  13  -4.556  -1.986   1.639
   85    HA   ALA  13           HA       ALA  13  -4.481   0.031   3.788
   86    HB1  ALA  13           HB1      ALA  13  -3.906   0.476   0.858
   87    HB2  ALA  13           HB2      ALA  13  -2.722   0.501   2.165
   88    HB3  ALA  13           HB3      ALA  13  -3.985   1.733   2.093
   89    HA   PRO  14           HA       PRO  14  -8.862  -0.070   2.888
   90    HB2  PRO  14           HB2      PRO  14  -9.532   1.976   4.584
   91    HB3  PRO  14           HB1      PRO  14  -9.269   0.308   5.104
   92    HG2  PRO  14           HG2      PRO  14  -7.402   2.643   5.213
   93    HG3  PRO  14           HG1      PRO  14  -7.696   1.387   6.432
   94    HD2  PRO  14           HD2      PRO  14  -5.538   1.321   4.827
   95    HD3  PRO  14           HD1      PRO  14  -6.367  -0.163   5.344
   96    H    ASP  15           HN       ASP  15  -7.080   2.993   3.086
   97    HA   ASP  15           HA       ASP  15  -8.854   4.094   1.020
   98    HB2  ASP  15           HB2      ASP  15  -8.644   5.325   3.217
   99    HB3  ASP  15           HB1      ASP  15  -6.961   5.638   2.800
  100    H    MET  16           HN       MET  16  -7.917   5.282  -0.724
  101    HA   MET  16           HA       MET  16  -5.684   4.035  -1.908
  102    HB2  MET  16           HB2      MET  16  -7.656   5.346  -2.982
  103    HB3  MET  16           HB1      MET  16  -6.674   6.769  -2.684
  104    HG2  MET  16           HG2      MET  16  -5.695   4.407  -4.257
  105    HG3  MET  16           HG1      MET  16  -6.535   5.772  -4.985
  106    HE1  MET  16           HE1      MET  16  -3.635   4.710  -5.840
  107    HE2  MET  16           HE2      MET  16  -2.776   6.233  -6.067
  108    HE3  MET  16           HE3      MET  16  -4.435   6.063  -6.639
  109    H    ASP  17           HN       ASP  17  -6.089   6.927   0.015
  110    HA   ASP  17           HA       ASP  17  -3.627   8.200  -0.415
  111    HB2  ASP  17           HB2      ASP  17  -5.690   9.019   0.887
  112    HB3  ASP  17           HB1      ASP  17  -5.052   8.105   2.241
  113    H    THR  18           HN       THR  18  -4.624   6.016   2.172
  114    HA   THR  18           HA       THR  18  -2.261   5.654   3.527
  115    HB   THR  18           HB       THR  18  -4.205   3.422   2.945
  116    HG1  THR  18           HG1      THR  18  -4.560   4.999   5.214
  117   HG21  THR  18          HG21      THR  18  -3.601   2.674   5.196
  118   HG22  THR  18          HG22      THR  18  -2.498   4.040   5.359
  119   HG23  THR  18          HG23      THR  18  -2.175   2.784   4.165
  120    H    LEU  19           HN       LEU  19  -3.418   3.944   0.649
  121    HA   LEU  19           HA       LEU  19  -1.276   2.116   0.443
  122    HG   LEU  19           HG       LEU  19  -1.060   2.039  -2.626
  123    HB2  LEU  19           HB2      LEU  19  -3.406   1.810  -0.742
  124    HB3  LEU  19           HB1      LEU  19  -3.071   3.226  -1.721
  125   HD11  LEU  19          HD11      LEU  19  -0.914  -0.375  -2.351
  126   HD12  LEU  19          HD12      LEU  19  -2.275  -0.340  -1.230
  127   HD13  LEU  19          HD13      LEU  19  -0.757   0.447  -0.800
  128   HD21  LEU  19          HD21      LEU  19  -3.729   0.705  -3.059
  129   HD22  LEU  19          HD22      LEU  19  -2.340   0.625  -4.142
  130   HD23  LEU  19          HD23      LEU  19  -3.153   2.165  -3.866
  131    H    GLN  20           HN       GLN  20  -1.890   5.220  -1.168
  132    HA   GLN  20           HA       GLN  20   0.411   5.310  -2.743
  133    HB2  GLN  20           HB2      GLN  20  -1.584   6.840  -2.899
  134    HB3  GLN  20           HB1      GLN  20  -0.965   7.693  -1.493
  135    HG2  GLN  20           HG2      GLN  20  -0.355   8.901  -3.465
  136    HG3  GLN  20           HG1      GLN  20   1.096   8.202  -2.752
  137   HE21  GLN  20          HE21      GLN  20  -1.135   8.085  -5.413
  138   HE22  GLN  20          HE22      GLN  20  -0.165   7.080  -6.440
  139    H    ILE  21           HN       ILE  21  -0.141   6.511   0.552
  140    HA   ILE  21           HA       ILE  21   2.372   7.625   1.042
  141    HB   ILE  21           HB       ILE  21   0.590   6.152   2.993
  142   HG12  ILE  21          HG12      ILE  21   0.780   9.113   2.385
  143   HG13  ILE  21          HG11      ILE  21  -0.514   8.050   1.842
  144   HG21  ILE  21          HG21      ILE  21   2.838   6.380   3.877
  145   HG22  ILE  21          HG22      ILE  21   1.748   7.479   4.721
  146   HG23  ILE  21          HG23      ILE  21   2.845   8.101   3.488
  147   HD11  ILE  21          HD11      ILE  21   0.157   8.678   4.704
  148   HD12  ILE  21          HD12      ILE  21  -1.147   7.624   4.155
  149   HD13  ILE  21          HD13      ILE  21  -1.185   9.348   3.780
  150    H    HIS  22           HN       HIS  22   1.204   4.334   1.701
  151    HA   HIS  22           HA       HIS  22   3.590   3.348   2.774
  152    HD1  HIS  22           HD1      HIS  22   3.399   0.580   4.234
  153    HD2  HIS  22           HD2      HIS  22   2.736  -0.111   0.187
  154    HE1  HIS  22           HE1      HIS  22   4.498  -1.646   3.697
  155    HB2  HIS  22           HB2      HIS  22   1.570   2.110   3.134
  156    HB3  HIS  22           HB1      HIS  22   1.307   1.923   1.402
  157    H    VAL  23           HN       VAL  23   2.406   3.303  -0.586
  158    HA   VAL  23           HA       VAL  23   4.464   1.672  -1.594
  159    HB   VAL  23           HB       VAL  23   2.928   3.818  -3.086
  160   HG11  VAL  23          HG11      VAL  23   3.507   2.554  -5.094
  161   HG12  VAL  23          HG12      VAL  23   4.455   1.427  -4.123
  162   HG13  VAL  23          HG13      VAL  23   4.959   3.113  -4.264
  163   HG21  VAL  23          HG21      VAL  23   2.386   0.863  -2.797
  164   HG22  VAL  23          HG22      VAL  23   1.481   1.984  -3.813
  165   HG23  VAL  23          HG23      VAL  23   1.452   2.165  -2.059
  166    H    MET  24           HN       MET  24   4.282   5.137  -1.026
  167    HA   MET  24           HA       MET  24   6.709   5.827  -2.322
  168    HB2  MET  24           HB2      MET  24   5.139   7.191  -0.132
  169    HB3  MET  24           HB1      MET  24   6.572   7.890  -0.873
  170    HG2  MET  24           HG2      MET  24   5.481   7.916  -3.030
  171    HG3  MET  24           HG1      MET  24   4.059   7.131  -2.342
  172    HE1  MET  24           HE1      MET  24   2.587   9.077  -3.432
  173    HE2  MET  24           HE2      MET  24   4.027   9.895  -4.038
  174    HE3  MET  24           HE3      MET  24   2.831  10.792  -3.101
  175    H    GLU  25           HN       GLU  25   5.926   4.681   0.900
  176    HA   GLU  25           HA       GLU  25   8.629   5.085   1.874
  177    HB2  GLU  25           HB2      GLU  25   6.335   3.583   3.150
  178    HB3  GLU  25           HB1      GLU  25   7.821   4.083   3.942
  179    HG2  GLU  25           HG2      GLU  25   7.198   6.433   3.565
  180    HG3  GLU  25           HG1      GLU  25   5.671   5.892   2.863
  181    H    CYS  26           HN       CYS  26   6.843   2.686   0.248
  182    HA   CYS  26           HA       CYS  26   8.407   0.436   1.174
  183    HB2  CYS  26           HB2      CYS  26   5.943   0.331   0.641
  184    HB3  CYS  26           HB1      CYS  26   6.360   0.547  -1.052
  185    H    ILE  27           HN       ILE  27  10.190   2.108   0.205
  186    HA   ILE  27           HA       ILE  27  10.666   1.784  -2.615
  187    HB   ILE  27           HB       ILE  27  12.883   2.908  -2.038
  188   HG12  ILE  27          HG12      ILE  27  11.479   3.273   0.620
  189   HG13  ILE  27          HG11      ILE  27  12.915   2.291   0.352
  190   HG21  ILE  27          HG21      ILE  27  11.828   5.108  -1.796
  191   HG22  ILE  27          HG22      ILE  27  10.305   4.320  -1.385
  192   HG23  ILE  27          HG23      ILE  27  11.001   4.109  -2.992
  193   HD11  ILE  27          HD11      ILE  27  12.722   5.274   0.010
  194   HD12  ILE  27          HD12      ILE  27  14.160   4.293  -0.273
  195   HD13  ILE  27          HD13      ILE  27  13.486   4.421   1.351
  196    H    GLU  28           HN       GLU  28  11.269  -0.132  -3.353
  197    HA   GLU  28           HA       GLU  28  13.789  -1.214  -2.474
  198    HB2  GLU  28           HB2      GLU  28  12.069  -2.276  -0.946
  199    HB3  GLU  28           HB1      GLU  28  11.372  -3.028  -2.374
  200    HG2  GLU  28           HG2      GLU  28  13.539  -4.133  -2.805
  201    HG3  GLU  28           HG1      GLU  28  14.155  -3.445  -1.305