*HEADER    METAL BINDING PROTEIN                   28-SEP-07   2JVY              
*TITLE     SOLUTION STRUCTURE OF THE EDA-ID-RELATED C417F MUTANT OF              
*TITLE    2 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;                                                     
*COMPND  10 MUTATION: YES;                                                       
*COMPND  11 OTHER_DETAILS: THE C417F POINT MUTATION WAS IDENTIFIED IN            
*COMPND  12 PATIENTS WITH ANHIDROTIC ECTODERMAL DYSPLASIA WITH                   
*COMPND  13 IMMUNODEFICIENCY (EDA-ID)                                            
*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, CCHF MUTANT ZINC FINGER, EDA-ID           
*KEYWDS   2 C417F MUTANT OF NEMO ZINC FINGER, BETA-BETA-ALPHA FOLD,              
*KEYWDS   3 COILED COIL, CYTOPLASM, DISEASE MUTATION, ECTODERMAL                 
*KEYWDS   4 DYSPLASIA, HOST-VIRUS INTERACTION, NUCLEUS, TRANSCRIPTION,           
*KEYWDS   5 TRANSCRIPTION REGULATION, METAL BINDING PROTEIN                      
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    F.CORDIER, E.VINOLO, M.VERON, M.DELEPIERRE, F.AGOU                    
*REVDAT   1   18-MAR-08 2JVY    0                                                


! unambiguous NOEs

 ASSI {    1}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
      4.000     2.000     2.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.29558E-03 ppm1      9.195 ppm2      1.328 CV     1
 OR {    1}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
 ASSI {    2}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.000     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.14481E-02 ppm1      9.197 ppm2      1.767 CV     1
 OR {    2}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {    3}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.800     1.800     1.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.28768E-03 ppm1      9.010 ppm2      4.567 CV     1
 ASSI {    4}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.300     1.400     1.400 peak     4 spectrum    1 weight  0.10000E+01 volume  0.87222E-03 ppm1      8.997 ppm2      3.228 CV     1
 ASSI {    5}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.100     1.200     1.200 peak     5 spectrum    1 weight  0.10000E+01 volume  0.89922E-03 ppm1      8.994 ppm2      2.655 CV     1
 ASSI {    7}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      2.800     1.000     1.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      8.694 ppm2      2.240 CV     1
 ASSI {    8}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.700     0.900     0.900 peak     8 spectrum    1 weight  0.10000E+01 volume  0.34370E-02 ppm1      8.693 ppm2      1.235 CV     1
 ASSI {    9}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      2.900     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.20430E-02 ppm1      8.693 ppm2      1.108 CV     1
 ASSI {   10}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.10262E-02 ppm1      8.664 ppm2      4.163 CV     1
 ASSI {   11}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak    11 spectrum    1 weight  0.10000E+01 volume  0.11152E-02 ppm1      8.666 ppm2      1.871 CV     1
 ASSI {   12}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.13999E-02 ppm1      8.659 ppm2      2.966 CV     1
 ASSI {   13}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.56269E-02 ppm1      8.601 ppm2      3.941 CV     1
 OR {   13}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {   14}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.800     1.800     1.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.12756E-02 ppm1      8.601 ppm2      1.419 CV     1
 ASSI {   15}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.25154E-02 ppm1      8.361 ppm2      4.049 CV     1
 ASSI {   16}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.100     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.28686E-02 ppm1      8.363 ppm2      2.141 CV     1
 ASSI {   17}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.300     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.47425E-02 ppm1      8.362 ppm2      2.226 CV     1
 ASSI {   18}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.000     1.100     1.100 peak    18 spectrum    1 weight  0.10000E+01 volume  0.29915E-02 ppm1      8.360 ppm2      2.483 CV     1
 OR {   18}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {   19}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak    19 spectrum    1 weight  0.10000E+01 volume  0.13578E-02 ppm1      8.247 ppm2      4.254 CV     1
 ASSI {   20}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.69122E-02 ppm1      8.250 ppm2      2.524 CV     1
 OR {   20}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {   21}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.31997E-02 ppm1      8.208 ppm2      4.152 CV     1
 ASSI {   22}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG1 ))
      3.100     1.200     1.200 peak    22 spectrum    1 weight  0.10000E+01 volume  0.18880E-02 ppm1      8.209 ppm2      2.256 CV     1
 OR {   22}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {   23}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak    23 spectrum    1 weight  0.10000E+01 volume  0.99651E-03 ppm1      8.209 ppm2      2.018 CV     1
 ASSI {   24}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.200     1.300     1.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.24899E-02 ppm1      8.208 ppm2      1.852 CV     1
 ASSI {   25}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.69943E-02 ppm1      8.155 ppm2      4.333 CV     1
 ASSI {   26}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.300     0.700     0.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.55356E-02 ppm1      8.155 ppm2      1.434 CV     1
 ASSI {   29}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.200     2.200     1.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.24016E-03 ppm1      8.158 ppm2      4.629 CV     1
 ASSI {   30}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.500     0.800     0.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.44850E-02 ppm1      8.156 ppm2      2.950 CV     1
 OR {   30}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   31}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.25542E-02 ppm1      8.092 ppm2      3.909 CV     1
 ASSI {   32}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.500     1.500     1.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.19929E-02 ppm1      8.091 ppm2      2.536 CV     1
 OR {   32}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {   33}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.60861E-02 ppm1      8.091 ppm2      1.910 CV     1
 OR {   33}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {   34}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.400     1.400 peak    34 spectrum    1 weight  0.10000E+01 volume  0.86904E-03 ppm1      8.081 ppm2      4.391 CV     1
 ASSI {   35}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.600     1.600     1.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      8.079 ppm2      2.954 CV     1
 OR {   35}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {   37}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.200     0.600     0.600 peak    37 spectrum    1 weight  0.10000E+01 volume  0.64266E-02 ppm1      8.028 ppm2      3.232 CV     1
 ASSI {   38}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.100     1.200     1.200 peak    38 spectrum    1 weight  0.10000E+01 volume  0.37207E-02 ppm1      8.032 ppm2      2.258 CV     1
 ASSI {   39}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.54564E-02 ppm1      8.032 ppm2      4.166 CV     1
 ASSI {   40}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.500     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.17792E-02 ppm1      8.030 ppm2      1.849 CV     1
 ASSI {   41}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.300     1.300     1.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.80117E-03 ppm1      8.024 ppm2      2.031 CV     1
 ASSI {   42}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.100     1.100 peak    42 spectrum    1 weight  0.10000E+01 volume  0.19312E-02 ppm1      7.936 ppm2      4.257 CV     1
 ASSI {   43}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      3.000     1.100     1.100 peak    43 spectrum    1 weight  0.10000E+01 volume  0.30793E-02 ppm1      7.937 ppm2      1.944 CV     1
 ASSI {   44}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.900     1.900     1.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.42113E-03 ppm1      7.937 ppm2      2.112 CV     1
 ASSI {   45}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.52711E-03 ppm1      7.816 ppm2      4.945 CV     1
 ASSI {   46}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.100     1.100 peak    46 spectrum    1 weight  0.10000E+01 volume  0.25554E-02 ppm1      7.821 ppm2      2.681 CV     1
 OR {   46}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {   47}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.16699E-02 ppm1      7.737 ppm2      4.304 CV     1
 ASSI {   48}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      4.400     2.400     1.600 peak    48 spectrum    1 weight  0.10000E+01 volume  0.55367E-03 ppm1      7.739 ppm2      2.730 CV     1
 ASSI {   49}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
      4.000     2.000     2.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.81077E-03 ppm1      7.739 ppm2      2.610 CV     1
 ASSI {   50}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.600     0.800     0.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.45253E-02 ppm1      7.739 ppm2      2.129 CV     1
 OR {   50}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {   52}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.42177E-02 ppm1      7.694 ppm2      2.240 CV     1
 ASSI {   54}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG12))
      3.000     1.100     1.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.15918E-02 ppm1      7.686 ppm2      1.374 CV     1
 ASSI {   55}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG11))
      3.400     1.400     1.400 peak    55 spectrum    1 weight  0.10000E+01 volume  0.10836E-02 ppm1      7.686 ppm2      1.069 CV     1
 ASSI {   56}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HG2%)
      3.900     1.900     1.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.59682E-03 ppm1      7.687 ppm2      0.780 CV     1
 ASSI {   57}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.49862E-02 ppm1      7.684 ppm2      4.184 CV     1
 ASSI {   58}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.400     0.700     0.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.43709E-02 ppm1      7.680 ppm2      3.017 CV     1
 ASSI {   59}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.38296E-02 ppm1      7.683 ppm2      3.780 CV     1
 ASSI {   60}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak    60 spectrum    1 weight  0.10000E+01 volume  0.10133E-02 ppm1      7.653 ppm2      4.327 CV     1
 ASSI {   61}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak    61 spectrum    1 weight  0.10000E+01 volume  0.20105E-02 ppm1      7.656 ppm2      2.188 CV     1
 ASSI {   62}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak    62 spectrum    1 weight  0.10000E+01 volume  0.21133E-02 ppm1      7.653 ppm2      1.740 CV     1
 ASSI {   63}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.000     1.100     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.25081E-02 ppm1      7.652 ppm2      1.640 CV     1
 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  0.24486E-02 ppm1      7.488 ppm2      3.736 CV     1
 ASSI {   65}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      2.300     0.700     0.700 peak    65 spectrum    1 weight  0.10000E+01 volume  0.60248E-02 ppm1      7.487 ppm2      1.933 CV     1
 ASSI {   66}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
      3.300     1.300     1.300 peak    66 spectrum    1 weight  0.10000E+01 volume  0.41170E-02 ppm1      7.489 ppm2      1.725 CV     1
 ASSI {   67}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      2.400     0.700     0.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.30156E-02 ppm1      7.488 ppm2      1.176 CV     1
 ASSI {   68}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.300     2.300     1.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.76262E-03 ppm1      7.488 ppm2      0.905 CV     1
 ASSI {   69}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      4.500     2.500     1.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.68839E-03 ppm1      7.488 ppm2      0.825 CV     1
 ASSI {   70}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.22641E-02 ppm1      6.952 ppm2      3.611 CV     1
 ASSI {   71}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.100     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.14537E-02 ppm1      6.955 ppm2      2.713 CV     1
 OR {   71}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
 ASSI {   72}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak    72 spectrum    1 weight  0.10000E+01 volume  0.11912E-02 ppm1      6.954 ppm2      4.439 CV     1
 ASSI {   74}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.200     0.600     0.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.45535E-02 ppm1      8.031 ppm2      9.194 CV     1
 ASSI {   75}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.21323E-02 ppm1      8.032 ppm2      8.658 CV     1
 ASSI {   77}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.30128E-02 ppm1      8.249 ppm2      8.598 CV     1
 ASSI {   78}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.19775E-02 ppm1      8.693 ppm2      7.735 CV     1
 ASSI {   81}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak    81 spectrum    1 weight  0.10000E+01 volume  0.13274E-02 ppm1      7.683 ppm2      8.690 CV     1
 ASSI {   82}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.25902E-02 ppm1      8.603 ppm2      7.691 CV     1
 ASSI {   84}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.800     1.800     1.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.83436E-03 ppm1      7.938 ppm2      8.160 CV     1
 ASSI {   86}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.700     1.700     1.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.14038E-02 ppm1      8.161 ppm2      7.816 CV     1
 ASSI {   89}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.58867E-03 ppm1      6.956 ppm2      8.093 CV     1
 ASSI {   90}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.54017E-02 ppm1      8.244 ppm2      8.087 CV     1
 ASSI {   93}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.35261E-02 ppm1      7.688 ppm2      8.364 CV     1
 ASSI {   94}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.20681E-02 ppm1      8.364 ppm2      7.486 CV     1
 ASSI {   96}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.17379E-02 ppm1      7.684 ppm2      7.486 CV     1
 ASSI {   98}
   (  segid "    " and resid 11   and name HE% )
   (  segid "    " and resid 11   and name HD% )
      2.000     0.500     0.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.85598E-02 ppm1      6.440 ppm2      6.297 CV     1
 ASSI {  100}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 22   and name HD2 ))
      2.700     2.700     3.300 peak   100 spectrum    1 weight  0.10000E+01 volume  0.41966E-02 ppm1      7.533 ppm2      6.993 CV     1
 ASSI {  102}
   (  segid "    " and resid 4    and name HE% )
   (  segid "    " and resid 4    and name HD% )
      2.000     0.500     0.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.91737E-02 ppm1      7.280 ppm2      6.978 CV     1
 ASSI {  104}
   (  segid "    " and resid 26   and name HE% )
   (  segid "    " and resid 26   and name HD% )
      2.100     0.500     0.500 peak   104 spectrum    1 weight  0.10000E+01 volume  0.70463E-02 ppm1      7.250 ppm2      7.026 CV     1
 ASSI {  107}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.500     1.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.87222E-03 ppm1      6.995 ppm2      8.690 CV     1
 ASSI {  108}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      4.700     2.800     1.300 peak   108 spectrum    1 weight  0.10000E+01 volume  0.39229E-03 ppm1      8.665 ppm2      6.291 CV     1
 ASSI {  111}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.74186E-03 ppm1      8.603 ppm2      8.076 CV     1
 ASSI {  113}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.200     2.200     1.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.31610E-03 ppm1      8.603 ppm2      6.956 CV     1
 ASSI {  115}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.18586E-02 ppm1      7.281 ppm2      8.090 CV     1
 ASSI {  117}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 11   and name HE% )
      4.500     2.500     1.500 peak   117 spectrum    1 weight  0.10000E+01 volume  0.24373E-03 ppm1      8.161 ppm2      6.441 CV     1
 ASSI {  119}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.21729E-03 ppm1      6.304 ppm2      8.157 CV     1
 ASSI {  121}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   121 spectrum    1 weight  0.10000E+01 volume  0.15139E-02 ppm1      6.300 ppm2      7.644 CV     1
 ASSI {  123}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.400     1.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.96558E-03 ppm1      6.440 ppm2      7.660 CV     1
 ASSI {  125}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.21482E-02 ppm1      6.980 ppm2      8.153 CV     1
 ASSI {  126}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD% )
      4.300     2.300     1.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.16424E-03 ppm1      8.065 ppm2      7.048 CV     1
 ASSI {  127}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.18691E-02 ppm1      9.008 ppm2      4.934 CV     1
 ASSI {  128}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HD2 ))
      4.200     2.200     1.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.11194E-03 ppm1      9.196 ppm2      4.195 CV     1
 ASSI {  129}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.400     1.400     1.400 peak   129 spectrum    1 weight  0.10000E+01 volume  0.12742E-02 ppm1      8.692 ppm2      4.182 CV     1
 ASSI {  130}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.200     1.300     1.300 peak   130 spectrum    1 weight  0.10000E+01 volume  0.11502E-02 ppm1      8.695 ppm2      4.054 CV     1
 ASSI {  131}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.12570E-02 ppm1      8.602 ppm2      4.253 CV     1
 ASSI {  132}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.000     2.000     2.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.14685E-03 ppm1      8.607 ppm2      3.605 CV     1
 ASSI {  133}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.100     1.100 peak   133 spectrum    1 weight  0.10000E+01 volume  0.21208E-02 ppm1      8.362 ppm2      4.250 CV     1
 ASSI {  134}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      4.300     2.400     1.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.29549E-03 ppm1      8.347 ppm2      3.787 CV     1
 ASSI {  135}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     1.200     1.200 peak   135 spectrum    1 weight  0.10000E+01 volume  0.17576E-02 ppm1      8.249 ppm2      3.912 CV     1
 ASSI {  136}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.300     2.300     1.700 peak   136 spectrum    1 weight  0.10000E+01 volume  0.66764E-03 ppm1      8.244 ppm2      3.615 CV     1
 ASSI {  137}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.47783E-02 ppm1      8.093 ppm2      3.610 CV     1
 ASSI {  138}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.300     1.400     1.400 peak   138 spectrum    1 weight  0.10000E+01 volume  0.14604E-02 ppm1      8.028 ppm2      4.402 CV     1
 ASSI {  139}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.000     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.20849E-02 ppm1      7.940 ppm2      4.322 CV     1
 ASSI {  140}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      4.100     2.100     1.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.37591E-03 ppm1      7.932 ppm2      3.781 CV     1
 ASSI {  141}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.28097E-02 ppm1      7.821 ppm2      4.638 CV     1
 ASSI {  142}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.200     1.300     1.300 peak   142 spectrum    1 weight  0.10000E+01 volume  0.14061E-02 ppm1      7.733 ppm2      3.786 CV     1
 ASSI {  143}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.19450E-02 ppm1      7.683 ppm2      3.737 CV     1
 ASSI {  144}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak   144 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      7.490 ppm2      4.050 CV     1
 ASSI {  145}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.400     1.400 peak   145 spectrum    1 weight  0.10000E+01 volume  0.88685E-03 ppm1      7.490 ppm2      3.924 CV     1
 ASSI {  146}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.700     2.700     1.300 peak   146 spectrum    1 weight  0.10000E+01 volume  0.37240E-03 ppm1      6.954 ppm2      4.344 CV     1
 ASSI {  147}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.700     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.25035E-02 ppm1      6.957 ppm2      3.948 CV     1
 ASSI {  148}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 11   and name HA  ))
      3.100     3.100     2.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.30890E-02 ppm1      6.443 ppm2      4.160 CV     1
 ASSI {  149}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.49757E-02 ppm1      6.303 ppm2      4.160 CV     1
 ASSI {  150}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.18377E-02 ppm1      6.446 ppm2      4.317 CV     1
 ASSI {  151}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.66237E-03 ppm1      6.303 ppm2      4.315 CV     1
 ASSI {  152}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.15853E-02 ppm1      6.443 ppm2      3.777 CV     1
 ASSI {  153}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 22   and name HB2 ))
      3.500     1.600     1.600 peak   153 spectrum    1 weight  0.10000E+01 volume  0.48986E-03 ppm1      6.304 ppm2      3.777 CV     1
 ASSI {  154}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.500     1.500     1.500 peak   154 spectrum    1 weight  0.10000E+01 volume  0.14622E-02 ppm1      6.995 ppm2      4.173 CV     1
 ASSI {  156}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.37105E-02 ppm1      6.978 ppm2      4.636 CV     1
 ASSI {  157}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 4    and name HA  ))
      3.600     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.94610E-03 ppm1      7.279 ppm2      4.647 CV     1
 ASSI {  158}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.500     1.500 peak   158 spectrum    1 weight  0.10000E+01 volume  0.69313E-03 ppm1      6.981 ppm2      4.437 CV     1
 ASSI {  159}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.400     1.400 peak   159 spectrum    1 weight  0.10000E+01 volume  0.97206E-03 ppm1      7.276 ppm2      3.901 CV     1
 ASSI {  160}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.25720E-02 ppm1      6.979 ppm2      3.910 CV     1
 ASSI {  161}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.27700E-02 ppm1      7.281 ppm2      3.612 CV     1
 ASSI {  162}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.37107E-02 ppm1      6.983 ppm2      3.609 CV     1
 ASSI {  163}
   (  segid "    " and resid 26   and name HE% )
   (( segid "    " and resid 26   and name HA  ))
      3.900     1.900     1.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.14853E-03 ppm1      7.250 ppm2      4.373 CV     1
 ASSI {  164}
   (  segid "    " and resid 26   and name HD% )
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.34380E-02 ppm1      7.033 ppm2      4.376 CV     1
 ASSI {  165}
   (  segid "    " and resid 26   and name HE% )
   (( segid "    " and resid 25   and name HA  ))
      3.900     1.200     1.200 peak   165 spectrum    1 weight  0.10000E+01 volume  0.11846E-02 ppm1      7.253 ppm2      4.159 CV     1
 ASSI {  166}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.900     1.100     1.100 peak   166 spectrum    1 weight  0.10000E+01 volume  0.11202E-02 ppm1      8.694 ppm2      3.011 CV     1
 ASSI {  167}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.100     1.200     1.200 peak   167 spectrum    1 weight  0.10000E+01 volume  0.11825E-02 ppm1      8.664 ppm2      3.230 CV     1
 ASSI {  168}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.38597E-02 ppm1      8.598 ppm2      2.525 CV     1
 OR {  168}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  169}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.900     1.100     1.100 peak   169 spectrum    1 weight  0.10000E+01 volume  0.11291E-02 ppm1      8.362 ppm2      1.429 CV     1
 ASSI {  171}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.800     1.000     1.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.31422E-02 ppm1      8.249 ppm2      2.682 CV     1
 OR {  171}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {  172}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.900     1.100     1.100 peak   172 spectrum    1 weight  0.10000E+01 volume  0.22576E-02 ppm1      8.248 ppm2      1.911 CV     1
 OR {  172}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  173}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.800     1.800     1.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.10711E-02 ppm1      8.157 ppm2      2.131 CV     1
 ASSI {  174}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      4.300     2.300     1.700 peak   174 spectrum    1 weight  0.10000E+01 volume  0.64422E-03 ppm1      8.155 ppm2      2.687 CV     1
 ASSI {  176}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.600     1.600     1.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.11428E-02 ppm1      8.153 ppm2      1.742 CV     1
 ASSI {  177}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.300     1.300     1.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.28697E-02 ppm1      8.156 ppm2      1.638 CV     1
 ASSI {  178}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.600     0.800     0.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.43712E-02 ppm1      8.093 ppm2      2.690 CV     1
 OR {  178}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {  180}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      4.600     2.600     1.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.36582E-03 ppm1      8.080 ppm2      2.246 CV     1
 ASSI {  181}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.500     2.500     1.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.24947E-03 ppm1      8.081 ppm2      2.002 CV     1
 ASSI {  182}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.800     1.000     1.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.14085E-02 ppm1      8.029 ppm2      2.656 CV     1
 ASSI {  183}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.600     0.900     0.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.54517E-02 ppm1      8.028 ppm2      1.770 CV     1
 OR {  183}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  184}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
      4.400     2.400     1.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.70140E-03 ppm1      8.029 ppm2      1.334 CV     1
 OR {  184}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
 ASSI {  185}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.300     1.400     1.400 peak   185 spectrum    1 weight  0.10000E+01 volume  0.82355E-03 ppm1      7.822 ppm2      2.951 CV     1
 OR {  185}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  186}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.100     1.200     1.200 peak   186 spectrum    1 weight  0.10000E+01 volume  0.18679E-02 ppm1      7.738 ppm2      2.244 CV     1
 ASSI {  187}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
      3.600     3.600     2.400 peak   187 spectrum    1 weight  0.10000E+01 volume  0.24973E-03 ppm1      7.737 ppm2      1.714 CV     1
 ASSI {  188}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      4.200     2.200     1.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.10887E-03 ppm1      7.741 ppm2      1.928 CV     1
 ASSI {  189}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.600     1.600     1.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.10028E-02 ppm1      7.736 ppm2      1.235 CV     1
 ASSI {  190}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.800     1.800     1.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.63931E-03 ppm1      7.741 ppm2      1.103 CV     1
 ASSI {  192}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.300     1.400     1.400 peak   192 spectrum    1 weight  0.10000E+01 volume  0.71729E-03 ppm1      7.686 ppm2      1.932 CV     1
 ASSI {  193}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.200     0.600     0.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.68267E-02 ppm1      7.692 ppm2      1.440 CV     1
 ASSI {  195}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.200     2.200     1.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.76990E-03 ppm1      7.647 ppm2      2.984 CV     1
 ASSI {  196}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      4.500     2.600     1.500 peak   196 spectrum    1 weight  0.10000E+01 volume  0.28260E-03 ppm1      7.487 ppm2      2.486 CV     1
 OR {  196}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  197}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.100     1.200     1.200 peak   197 spectrum    1 weight  0.10000E+01 volume  0.13095E-02 ppm1      7.486 ppm2      2.228 CV     1
 ASSI {  198}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.100     1.200     1.200 peak   198 spectrum    1 weight  0.10000E+01 volume  0.13648E-02 ppm1      7.488 ppm2      2.140 CV     1
 ASSI {  199}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.500     0.800     0.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.48771E-02 ppm1      6.957 ppm2      1.434 CV     1
 ASSI {  200}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.30664E-02 ppm1      6.957 ppm2      1.956 CV     1
 OR {  200}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI {  201}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.500     2.500     1.500 peak   201 spectrum    1 weight  0.10000E+01 volume  0.48632E-03 ppm1      6.958 ppm2      2.085 CV     1
 ASSI {  202}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 11   and name HB2 ))
      2.200     0.600     0.600 peak   202 spectrum    1 weight  0.10000E+01 volume  0.71643E-02 ppm1      6.302 ppm2      2.970 CV     1
 ASSI {  203}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
      3.000     3.000     3.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.38085E-02 ppm1      6.441 ppm2      2.991 CV     1
 ASSI {  204}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 6    and name HB1 ))
      4.400     2.400     1.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.55661E-03 ppm1      6.439 ppm2      2.651 CV     1
 ASSI {  205}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 6    and name HB1 ))
      3.100     1.200     1.200 peak   205 spectrum    1 weight  0.10000E+01 volume  0.22891E-02 ppm1      6.304 ppm2      2.655 CV     1
 ASSI {  206}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
      3.600     1.600     1.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.13860E-02 ppm1      6.440 ppm2      1.872 CV     1
 ASSI {  207}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 11   and name HB1 ))
      2.100     0.600     0.600 peak   207 spectrum    1 weight  0.10000E+01 volume  0.63966E-02 ppm1      6.302 ppm2      1.871 CV     1
 ASSI {  208}
   (  segid "    " and resid 11   and name HE% )
   (  segid "    " and resid 13   and name HB% )
      2.000     0.500     0.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.89072E-02 ppm1      6.445 ppm2      1.434 CV     1
 ASSI {  209}
   (  segid "    " and resid 11   and name HD% )
   (  segid "    " and resid 13   and name HB% )
      3.100     1.200     1.200 peak   209 spectrum    1 weight  0.10000E+01 volume  0.17696E-02 ppm1      6.305 ppm2      1.436 CV     1
 ASSI {  210}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 6    and name HB2 ))
      3.000     1.100     1.100 peak   210 spectrum    1 weight  0.10000E+01 volume  0.86286E-03 ppm1      6.303 ppm2      3.216 CV     1
 ASSI {  211}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.900     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.13727E-02 ppm1      6.997 ppm2      3.225 CV     1
 ASSI {  212}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.300     1.300     1.300 peak   212 spectrum    1 weight  0.10000E+01 volume  0.34981E-02 ppm1      6.996 ppm2      2.653 CV     1
 ASSI {  213}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 23   and name HB  ))
      3.700     1.700     1.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.57884E-03 ppm1      6.994 ppm2      2.247 CV     1
 ASSI {  214}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.400     1.400     1.400 peak   214 spectrum    1 weight  0.10000E+01 volume  0.10347E-02 ppm1      6.995 ppm2      1.876 CV     1
 ASSI {  215}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 23   and name HG1%)
      3.000     1.100     1.100 peak   215 spectrum    1 weight  0.10000E+01 volume  0.22727E-02 ppm1      6.997 ppm2      1.105 CV     1
 ASSI {  216}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 23   and name HG2%)
      2.900     1.100     1.100 peak   216 spectrum    1 weight  0.10000E+01 volume  0.23772E-02 ppm1      6.996 ppm2      1.233 CV     1
 ASSI {  217}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 19   and name HD1%)
      2.600     0.900     0.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.38293E-02 ppm1      6.996 ppm2      0.901 CV     1
 ASSI {  218}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HB1 ))
      2.900     1.100     1.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.13485E-02 ppm1      6.998 ppm2      3.011 CV     1
 ASSI {  219}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 4    and name HB1 ))
      3.100     1.200     1.200 peak   219 spectrum    1 weight  0.10000E+01 volume  0.30386E-02 ppm1      7.280 ppm2      2.951 CV     1
 OR {  219}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  220}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 15   and name HB1 ))
      3.500     1.500     1.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.15840E-02 ppm1      7.278 ppm2      2.715 CV     1
 OR {  220}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {  221}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HB1 ))
      2.200     0.600     0.600 peak   221 spectrum    1 weight  0.10000E+01 volume  0.65688E-02 ppm1      6.981 ppm2      2.946 CV     1
 OR {  221}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  222}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 16   and name HG1 ))
      2.900     1.000     1.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.25232E-02 ppm1      7.281 ppm2      2.543 CV     1
 OR {  222}
   (  segid "    " and resid 4    and name HE% )
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  223}
   (  segid "    " and resid 4    and name HE% )
   (  segid "    " and resid 19   and name HD2%)
      4.700     2.700     1.300 peak   223 spectrum    1 weight  0.10000E+01 volume  0.23384E-03 ppm1      7.280 ppm2      0.964 CV     1
 ASSI {  224}
   (  segid "    " and resid 26   and name HD% )
   (( segid "    " and resid 25   and name HG1 ))
      2.800     2.800     3.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.10789E-02 ppm1      7.029 ppm2      2.250 CV     1
 OR {  224}
   (  segid "    " and resid 26   and name HD% )
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  225}
   (  segid "    " and resid 26   and name HE% )
   (( segid "    " and resid 25   and name HB2 ))
      3.200     3.200     2.800 peak   225 spectrum    1 weight  0.10000E+01 volume  0.51915E-03 ppm1      7.247 ppm2      2.012 CV     1
 ASSI {  226}
   (  segid "    " and resid 26   and name HE% )
   (( segid "    " and resid 25   and name HB1 ))
      4.400     2.400     1.600 peak   226 spectrum    1 weight  0.10000E+01 volume  0.81534E-04 ppm1      7.248 ppm2      1.864 CV     1
 ASSI {  227}
   (  segid "    " and resid 26   and name HD% )
   (  segid "    " and resid 23   and name HG1%)
      3.300     1.300     1.300 peak   227 spectrum    1 weight  0.10000E+01 volume  0.77533E-03 ppm1      7.037 ppm2      1.103 CV     1
 ASSI {  228}
   (  segid "    " and resid 26   and name HD% )
   (  segid "    " and resid 23   and name HG2%)
      3.500     1.500     1.500 peak   228 spectrum    1 weight  0.10000E+01 volume  0.50311E-03 ppm1      7.038 ppm2      1.230 CV     1
 ASSI {  229}
   (  segid "    " and resid 26   and name HE% )
   (  segid "    " and resid 23   and name HG1%)
      3.600     1.600     1.600 peak   229 spectrum    1 weight  0.10000E+01 volume  0.40454E-03 ppm1      7.247 ppm2      1.104 CV     1
 ASSI {  230}
   (  segid "    " and resid 26   and name HE% )
   (  segid "    " and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.26575E-03 ppm1      7.253 ppm2      1.227 CV     1
 ASSI {  231}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.25265E-02 ppm1      4.342 ppm2      4.939 CV     1
 ASSI {  232}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.50294E-02 ppm1      3.222 ppm2      5.019 CV     1
 ASSI {  234}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     1.600     1.600 peak   234 spectrum    1 weight  0.10000E+01 volume  0.51885E-03 ppm1      2.261 ppm2      5.023 CV     1
 ASSI {  235}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.40551E-02 ppm1      2.692 ppm2      4.939 CV     1
 OR {  235}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  236}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.100     0.600     0.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.89904E-02 ppm1      2.972 ppm2      4.159 CV     1
 ASSI {  239}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.700     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.64746E-02 ppm1      4.202 ppm2      3.012 CV     1
 ASSI {  240}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HB2 ))
      1.800     0.400     0.400 peak   240 spectrum    1 weight  0.10000E+01 volume  0.95824E-02 ppm1      3.031 ppm2      3.777 CV     1
 ASSI {  242}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak   242 spectrum    1 weight  0.10000E+01 volume  0.33651E-02 ppm1      3.229 ppm2      4.558 CV     1
 ASSI {  244}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.700     0.700 peak   244 spectrum    1 weight  0.10000E+01 volume  0.64445E-02 ppm1      2.955 ppm2      4.638 CV     1
 OR {  244}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  245}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   245 spectrum    1 weight  0.10000E+01 volume  0.78718E-02 ppm1      2.534 ppm2      4.257 CV     1
 OR {  245}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  247}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      1.900     0.400     0.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.74915E-02 ppm1      2.662 ppm2      3.226 CV     1
 ASSI {  249}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.67220E-02 ppm1      2.712 ppm2      3.613 CV     1
 OR {  249}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  251}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.000     0.500     0.500 peak   251 spectrum    1 weight  0.10000E+01 volume  0.66885E-02 ppm1      1.877 ppm2      2.967 CV     1
 ASSI {  256}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.100     0.600     0.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.89257E-02 ppm1      1.446 ppm2      4.319 CV     1
 ASSI {  257}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      2.200     0.600     0.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.78135E-02 ppm1      3.951 ppm2      1.419 CV     1
 OR {  257}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  259}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 19   and name HD1%)
      3.500     1.500     1.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.27512E-02 ppm1      2.662 ppm2      0.898 CV     1
 ASSI {  262}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.78684E-02 ppm1      1.346 ppm2      4.406 CV     1
 OR {  262}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  263}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   263 spectrum    1 weight  0.10000E+01 volume  0.89824E-02 ppm1      1.442 ppm2      4.162 CV     1
 ASSI {  264}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 6    and name HA  ))
      2.100     0.600     0.600 peak   264 spectrum    1 weight  0.10000E+01 volume  0.64619E-02 ppm1      4.056 ppm2      4.559 CV     1
 ASSI {  265}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.59381E-02 ppm1      4.208 ppm2      4.555 CV     1
 ASSI {  267}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HD1 ))
      2.000     0.500     0.500 peak   267 spectrum    1 weight  0.10000E+01 volume  0.58497E-02 ppm1      4.211 ppm2      4.047 CV     1
 ASSI {  268}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD1 ))
      3.700     1.700     1.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.15654E-02 ppm1      2.377 ppm2      4.044 CV     1
 ASSI {  269}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.58988E-02 ppm1      2.384 ppm2      4.535 CV     1
 ASSI {  271}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.19366E-02 ppm1      2.136 ppm2      4.539 CV     1
 ASSI {  272}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HD1 ))
      2.600     0.800     0.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.34655E-02 ppm1      2.029 ppm2      4.043 CV     1
 OR {  272}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HD1 ))
 ASSI {  273}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.30254E-02 ppm1      2.022 ppm2      4.536 CV     1
 OR {  273}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  274}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.700     0.700 peak   274 spectrum    1 weight  0.10000E+01 volume  0.77817E-02 ppm1      3.722 ppm2      4.317 CV     1
 ASSI {  275}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      2.100     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.72787E-02 ppm1      3.622 ppm2      4.317 CV     1
 ASSI {  278}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB1 ))
      2.500     0.800     0.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.50400E-02 ppm1      3.622 ppm2      2.083 CV     1
 ASSI {  279}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HB1 ))
      2.900     1.100     1.100 peak   279 spectrum    1 weight  0.10000E+01 volume  0.58468E-02 ppm1      3.726 ppm2      2.089 CV     1
 ASSI {  280}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG2 ))
      2.300     0.700     0.700 peak   280 spectrum    1 weight  0.10000E+01 volume  0.59780E-02 ppm1      3.721 ppm2      1.955 CV     1
 OR {  280}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG1 ))
 ASSI {  281}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HG1 ))
      2.300     0.700     0.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.62283E-02 ppm1      3.612 ppm2      1.950 CV     1
 OR {  281}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI {  282}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.600     0.800     0.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.36894E-02 ppm1      3.229 ppm2      1.872 CV     1
 ASSI {  288}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.600     0.900     0.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.23462E-02 ppm1      4.343 ppm2      1.643 CV     1
 ASSI {  290}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.31075E-02 ppm1      1.732 ppm2      4.336 CV     1
 ASSI {  291}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HD2 ))
      2.300     0.700     0.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.44027E-02 ppm1      1.441 ppm2      3.720 CV     1
 ASSI {  292}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HD1 ))
      3.000     1.100     1.100 peak   292 spectrum    1 weight  0.10000E+01 volume  0.64255E-02 ppm1      1.434 ppm2      3.614 CV     1
 ASSI {  293}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      4.300     2.300     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.27891E-03 ppm1      4.312 ppm2      2.719 CV     1
 ASSI {  294}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.100     1.200     1.200 peak   294 spectrum    1 weight  0.10000E+01 volume  0.14673E-02 ppm1      4.309 ppm2      2.605 CV     1
 ASSI {  295}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.300     0.700     0.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.85210E-02 ppm1      4.306 ppm2      2.116 CV     1
 OR {  295}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  297}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.400     0.700     0.700 peak   297 spectrum    1 weight  0.10000E+01 volume  0.54960E-02 ppm1      4.210 ppm2      3.788 CV     1
 ASSI {  299}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.800     0.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.72521E-02 ppm1      1.879 ppm2      4.168 CV     1
 ASSI {  301}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.43645E-02 ppm1      2.264 ppm2      4.161 CV     1
 OR {  301}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  302}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.38697E-02 ppm1      2.493 ppm2      4.049 CV     1
 OR {  302}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  304}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.500     0.800     0.800 peak   304 spectrum    1 weight  0.10000E+01 volume  0.53851E-02 ppm1      4.063 ppm2      2.231 CV     1
 ASSI {  307}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
      2.700     0.900     0.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.27623E-02 ppm1      3.935 ppm2      1.164 CV     1
 ASSI {  309}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.35862E-02 ppm1      0.836 ppm2      3.927 CV     1
 ASSI {  311}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG11))
      3.200     1.300     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.14129E-02 ppm1      3.941 ppm2      1.060 CV     1
 ASSI {  313}
   (  segid "    " and resid 27   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.800     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.45226E-02 ppm1      0.782 ppm2      3.936 CV     1
 ASSI {  315}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB  ))
      2.700     0.900     0.900 peak   315 spectrum    1 weight  0.10000E+01 volume  0.33778E-02 ppm1      3.927 ppm2      1.707 CV     1
 ASSI {  316}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.27327E-02 ppm1      3.931 ppm2      1.931 CV     1
 ASSI {  317}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.300     0.600     0.600 peak   317 spectrum    1 weight  0.10000E+01 volume  0.89442E-02 ppm1      1.930 ppm2      3.914 CV     1
 OR {  317}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  318}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.900     1.100     1.100 peak   318 spectrum    1 weight  0.10000E+01 volume  0.25080E-02 ppm1      3.913 ppm2      2.546 CV     1
 OR {  318}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  320}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   320 spectrum    1 weight  0.10000E+01 volume  0.17883E-02 ppm1      2.249 ppm2      3.910 CV     1
 ASSI {  323}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.31626E-02 ppm1      3.795 ppm2      1.234 CV     1
 ASSI {  325}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
      2.900     1.000     1.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.28433E-02 ppm1      3.796 ppm2      1.106 CV     1
 ASSI {  328}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      4.200     2.200     1.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.11007E-02 ppm1      0.834 ppm2      3.734 CV     1
 ASSI {  329}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
      2.900     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.16419E-02 ppm1      3.731 ppm2      1.728 CV     1
 ASSI {  331}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 6    and name HB2 ))
      2.900     1.000     1.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.12387E-02 ppm1      0.911 ppm2      3.224 CV     1
 ASSI {  332}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 22   and name HB1 ))
      3.000     1.100     1.100 peak   332 spectrum    1 weight  0.10000E+01 volume  0.11711E-02 ppm1      0.909 ppm2      3.013 CV     1
 ASSI {  333}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.60006E-02 ppm1      0.910 ppm2      3.735 CV     1
 ASSI {  334}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.31657E-02 ppm1      2.958 ppm2      2.248 CV     1
 OR {  334}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  335}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
      2.600     2.600     3.400 peak   335 spectrum    1 weight  0.10000E+01 volume  0.43113E-02 ppm1      4.060 ppm2      1.231 CV     1
 ASSI {  338}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
      2.700     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.44452E-02 ppm1      3.737 ppm2      1.172 CV     1
 ASSI {  339}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HG2%)
      2.200     0.600     0.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.81459E-02 ppm1      1.923 ppm2      0.902 CV     1
 ASSI {  340}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HD1%)
      2.400     0.700     0.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.55979E-02 ppm1      1.935 ppm2      0.828 CV     1
 ASSI {  341}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 21   and name HG11))
      1.800     0.400     0.400 peak   341 spectrum    1 weight  0.10000E+01 volume  0.87991E-02 ppm1      1.730 ppm2      1.173 CV     1
 ASSI {  346}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 19   and name HD2%)
      2.400     0.700     0.700 peak   346 spectrum    1 weight  0.10000E+01 volume  0.37561E-02 ppm1      2.955 ppm2      0.966 CV     1
 OR {  346}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 19   and name HD2%)
 ASSI {  347}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 19   and name HD1%)
      3.800     1.800     1.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.84522E-03 ppm1      2.955 ppm2      0.904 CV     1
 OR {  347}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI {  348}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HB1 ))
      3.100     1.200     1.200 peak   348 spectrum    1 weight  0.10000E+01 volume  0.36923E-02 ppm1      0.912 ppm2      1.436 CV     1
 ASSI {  349}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HB1 ))
      2.900     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.15104E-02 ppm1      0.971 ppm2      1.440 CV     1
 ASSI {  351}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG2%)
      2.300     0.700     0.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.71862E-02 ppm1      2.235 ppm2      1.231 CV     1
 ASSI {  352}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG1%)
      2.300     0.700     0.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.68839E-02 ppm1      2.236 ppm2      1.104 CV     1
 ASSI {  353}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.800     0.400     0.400 peak   353 spectrum    1 weight  0.10000E+01 volume  0.74574E-02 ppm1      1.435 ppm2      2.242 CV     1
 ASSI {  355}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.28266E-02 ppm1      0.907 ppm2      2.234 CV     1
 ASSI {  356}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.40222E-02 ppm1      0.971 ppm2      2.243 CV     1
 ASSI {  359}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.700     1.700     1.700 peak   359 spectrum    1 weight  0.10000E+01 volume  0.37627E-03 ppm1      0.909 ppm2      4.938 CV     1
 ASSI {  360}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      2.100     0.600     0.600 peak   360 spectrum    1 weight  0.10000E+01 volume  0.86315E-02 ppm1      0.911 ppm2      4.161 CV     1
 ASSI {  361}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.600     1.600 peak   361 spectrum    1 weight  0.10000E+01 volume  0.25153E-02 ppm1      0.969 ppm2      4.163 CV     1
 ASSI {  362}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
      2.300     0.700     0.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.45192E-02 ppm1      0.912 ppm2      4.558 CV     1
 ASSI {  363}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 6    and name HA  ))
      3.400     1.500     1.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.87164E-03 ppm1      0.969 ppm2      4.555 CV     1
 ASSI {  365}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      4.200     2.200     1.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.86390E-03 ppm1      0.913 ppm2      3.924 CV     1
 ASSI {  366}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.400     1.400 peak   366 spectrum    1 weight  0.10000E+01 volume  0.10843E-02 ppm1      0.971 ppm2      3.910 CV     1
 ASSI {  367}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.23120E-02 ppm1      0.972 ppm2      4.635 CV     1
 ASSI {  368}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak   368 spectrum    1 weight  0.10000E+01 volume  0.19308E-02 ppm1      8.364 ppm2      4.169 CV     1
 ASSI {  369}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.700     1.800     1.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.55757E-03 ppm1      8.208 ppm2      3.794 CV     1
 ASSI {  370}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      4.100     2.100     1.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.23463E-03 ppm1      8.164 ppm2      4.942 CV     1
 ASSI {  371}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.300     1.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.10410E-02 ppm1      8.157 ppm2      4.261 CV     1
 ASSI {  373}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.300     1.400     1.400 peak   373 spectrum    1 weight  0.10000E+01 volume  0.98605E-03 ppm1      7.734 ppm2      3.736 CV     1
 ASSI {  374}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     1.500     1.500 peak   374 spectrum    1 weight  0.10000E+01 volume  0.84783E-03 ppm1      7.741 ppm2      4.058 CV     1
 ASSI {  375}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   375 spectrum    1 weight  0.10000E+01 volume  0.53044E-02 ppm1      7.691 ppm2      4.158 CV     1
 ASSI {  376}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   376 spectrum    1 weight  0.10000E+01 volume  0.15800E-02 ppm1      7.690 ppm2      4.375 CV     1
 ASSI {  377}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.200     0.600     0.600 peak   377 spectrum    1 weight  0.10000E+01 volume  0.93541E-02 ppm1      7.653 ppm2      4.161 CV     1
 ASSI {  378}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 6    and name HA  ))
      5.500     3.700     0.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.92529E-04 ppm1      6.994 ppm2      4.557 CV     1
 ASSI {  379}
   (  segid "    " and resid 26   and name HD% )
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.400     1.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.38748E-03 ppm1      7.030 ppm2      3.786 CV     1
 ASSI {  380}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 14   and name HD2 ))
      3.900     1.900     1.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.86760E-03 ppm1      6.446 ppm2      3.720 CV     1
 ASSI {  381}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 14   and name HD1 ))
      4.300     2.300     1.700 peak   381 spectrum    1 weight  0.10000E+01 volume  0.50650E-03 ppm1      6.443 ppm2      3.615 CV     1
 ASSI {  382}
   (  segid "    " and resid 11   and name HE% )
   (( segid "    " and resid 18   and name HB  ))
      5.400     3.600     0.600 peak   382 spectrum    1 weight  0.10000E+01 volume  0.13747E-03 ppm1      6.440 ppm2      3.936 CV     1
 ASSI {  383}
   (  segid "    " and resid 11   and name HD% )
   (( segid "    " and resid 6    and name HA  ))
      5.200     3.400     0.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.13669E-03 ppm1      6.297 ppm2      4.555 CV     1
 ASSI {  384}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
      4.100     2.100     1.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.35506E-03 ppm1      8.697 ppm2      0.904 CV     1
 ASSI {  385}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      3.300     1.400     1.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.39799E-03 ppm1      8.361 ppm2      0.966 CV     1
 ASSI {  386}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      4.000     2.000     2.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.40424E-03 ppm1      7.823 ppm2      0.966 CV     1
 ASSI {  387}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD2%)
      4.800     2.900     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.45805E-03 ppm1      7.696 ppm2      0.971 CV     1
 ASSI {  388}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG11))
      5.100     3.300     0.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.21877E-03 ppm1      7.683 ppm2      1.169 CV     1
 ASSI {  389}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      5.200     3.300     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.16992E-03 ppm1      7.688 ppm2      1.230 CV     1
 ASSI {  390}
   (  segid "    " and resid 4    and name HD% )
   (( segid "    " and resid 3    and name HB2 ))
      3.500     3.500     2.500 peak   390 spectrum    1 weight  0.10000E+01 volume  0.11047E-02 ppm1      6.983 ppm2      2.129 CV     1
 ASSI {  391}
   (  segid "    " and resid 4    and name HD% )
   (  segid "    " and resid 19   and name HD2%)
      3.000     1.100     1.100 peak   391 spectrum    1 weight  0.10000E+01 volume  0.24683E-02 ppm1      6.981 ppm2      0.966 CV     1
 ASSI {  392}
   (  segid "    " and resid 11   and name HE% )
   (  segid "    " and resid 19   and name HD1%)
      2.800     1.000     1.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.25906E-02 ppm1      6.443 ppm2      0.902 CV     1
 ASSI {  393}
   (  segid "    " and resid 11   and name HD% )
   (  segid "    " and resid 19   and name HD1%)
      2.500     0.800     0.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.31439E-02 ppm1      6.304 ppm2      0.905 CV     1
 ASSI {  394}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   394 spectrum    1 weight  0.10000E+01 volume  0.62162E-02 ppm1      2.260 ppm2      4.437 CV     1
 ASSI {  395}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.100     1.200     1.200 peak   395 spectrum    1 weight  0.10000E+01 volume  0.11428E-02 ppm1      2.089 ppm2      4.438 CV     1
 ASSI {  396}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak   396 spectrum    1 weight  0.10000E+01 volume  0.28926E-02 ppm1      1.948 ppm2      4.438 CV     1
 OR {  396}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  397}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HD1 ))
      3.300     1.300     1.300 peak   397 spectrum    1 weight  0.10000E+01 volume  0.35117E-02 ppm1      2.246 ppm2      3.618 CV     1
 ASSI {  400}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HD2 ))
      3.300     1.300     1.300 peak   400 spectrum    1 weight  0.10000E+01 volume  0.30227E-02 ppm1      2.240 ppm2      3.734 CV     1
 ASSI {  401}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 7    and name HD2 ))
      2.600     0.800     0.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.24387E-02 ppm1      1.236 ppm2      4.207 CV     1
 ASSI {  403}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 7    and name HD1 ))
      4.900     3.000     1.100 peak   403 spectrum    1 weight  0.10000E+01 volume  0.40667E-03 ppm1      2.664 ppm2      4.045 CV     1
 ASSI {  405}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 7    and name HD1 ))
      2.200     2.200     3.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.50130E-02 ppm1      1.106 ppm2      4.044 CV     1
 ASSI {  406}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 7    and name HD1 ))
      3.300     1.400     1.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.57647E-03 ppm1      0.971 ppm2      4.044 CV     1
 ASSI {  407}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 7    and name HD1 ))
      3.500     1.500     1.500 peak   407 spectrum    1 weight  0.10000E+01 volume  0.14730E-02 ppm1      0.910 ppm2      4.047 CV     1
 ASSI {  410}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.500     1.500     1.500 peak   410 spectrum    1 weight  0.10000E+01 volume  0.18491E-02 ppm1      4.209 ppm2      2.664 CV     1
 ASSI {  412}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      3.500     1.600     1.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.63948E-03 ppm1      3.794 ppm2      2.243 CV     1
 ASSI {  413}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.65752E-02 ppm1      1.787 ppm2      4.401 CV     1
 OR {  413}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  416}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 7    and name HD2 ))
      2.600     0.800     0.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.30432E-02 ppm1      1.347 ppm2      4.219 CV     1
 OR {  416}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 7    and name HD2 ))
 ASSI {  417}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 7    and name HD1 ))
      2.600     2.600     3.400 peak   417 spectrum    1 weight  0.10000E+01 volume  0.16783E-02 ppm1      1.330 ppm2      4.043 CV     1
 OR {  417}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 7    and name HD1 ))
 ASSI {  418}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
      3.500     1.600     1.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.86361E-03 ppm1      4.312 ppm2      1.099 CV     1
 ASSI {  420}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.300     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.47386E-02 ppm1      2.658 ppm2      1.870 CV     1
 ASSI {  422}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HB1 ))
      2.200     0.600     0.600 peak   422 spectrum    1 weight  0.10000E+01 volume  0.86794E-02 ppm1      1.330 ppm2      1.764 CV     1
 OR {  422}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  422}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  422}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  423}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HG  ))
      2.300     0.600     0.600 peak   423 spectrum    1 weight  0.10000E+01 volume  0.64827E-02 ppm1      0.961 ppm2      1.723 CV     1
 ASSI {  424}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.700     1.700     1.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.47610E-03 ppm1      9.203 ppm2      4.394 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 22  and name NE2)  3.5 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 9   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 {    6}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.900     1.100     1.100 peak     6 spectrum    1 weight  0.10000E+01 volume  0.32248E-02 ppm1      8.694 ppm2      3.780 CV     1
 OR {    6}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {   36}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.40145E-02 ppm1      8.031 ppm2      5.020 CV     1
 OR {   36}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {   51}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak    51 spectrum    1 weight  0.10000E+01 volume  0.62896E-02 ppm1      7.695 ppm2      3.932 CV     1
 OR {   51}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {   53}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB  ))
      2.900     1.000     1.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.31057E-02 ppm1      7.688 ppm2      1.720 CV     1
 OR {   53}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
 ASSI {  155}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   155 spectrum    1 weight  0.10000E+01 volume  0.28225E-02 ppm1      6.996 ppm2      3.782 CV     1
 OR {  155}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  170}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG  ))
      3.700     1.700     1.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.87159E-03 ppm1      8.363 ppm2      1.729 CV     1
 OR {  170}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  175}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.300     1.300     1.300 peak   175 spectrum    1 weight  0.10000E+01 volume  0.15707E-02 ppm1      8.157 ppm2      2.252 CV     1
 OR {  175}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  179}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      4.100     2.100     1.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.52691E-03 ppm1      8.091 ppm2      1.439 CV     1
 OR {  179}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  191}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.500     2.500     1.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.26115E-03 ppm1      7.693 ppm2      2.527 CV     1
 OR {  191}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  194}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.400     1.500     1.500 peak   194 spectrum    1 weight  0.10000E+01 volume  0.19586E-02 ppm1      7.690 ppm2      0.903 CV     1
 OR {  194}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
 OR {  194}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 19   and name HD1%)
 ASSI {  254}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 4    and name HB2 ))
      2.300     0.700     0.700 peak   254 spectrum    1 weight  0.10000E+01 volume  0.75597E-02 ppm1      1.449 ppm2      2.952 CV     1
 OR {  254}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 4    and name HB1 ))
 OR {  254}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  270}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.55756E-02 ppm1      2.141 ppm2      4.048 CV     1
 OR {  270}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HD1 ))
 ASSI {  298}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.70949E-02 ppm1      4.169 ppm2      1.860 CV     1
 OR {  298}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR {  298}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  343}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HG  ))
      2.300     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.61277E-02 ppm1      0.909 ppm2      1.727 CV     1
 OR {  343}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HG12))
! phi dihedral angles

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

assign (resid  2   and name C ) (resid  3  and name N)
       (resid  3   and name CA) (resid  3  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  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  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  22  and name C ) (resid  23 and name N)
       (resid  23  and name CA) (resid  23 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  11.707  -2.448   5.940
    2    HG   SER   1           HG       SER   1   9.628  -4.443   5.819
    3    H1   SER   1           HT1      SER   1  12.122  -1.424   8.089
    4    H2   SER   1           HT2      SER   1  11.266  -2.877   8.231
    5    H3   SER   1           HT3      SER   1  10.456  -1.393   8.403
    6    HB2  SER   1           HB2      SER   1   8.813  -1.966   6.691
    7    HB3  SER   1           HB1      SER   1   9.380  -2.479   5.101
    8    H    SER   2           HN       SER   2  12.159  -1.004   4.401
    9    HA   SER   2           HA       SER   2  11.616   1.812   4.899
   10    HG   SER   2           HG       SER   2  12.377   2.782   2.487
   11    HB2  SER   2           HB2      SER   2  13.871   1.065   4.158
   12    HB3  SER   2           HB1      SER   2  13.164   0.482   2.651
   13    H    ASP   3           HN       ASP   3   9.576  -0.266   4.058
   14    HA   ASP   3           HA       ASP   3   8.385   1.270   1.876
   15    HB2  ASP   3           HB2      ASP   3   7.791  -0.731   0.645
   16    HB3  ASP   3           HB1      ASP   3   9.533  -0.731   0.900
   17    H    PHE   4           HN       PHE   4   6.084   0.349   1.518
   18    HA   PHE   4           HA       PHE   4   4.895  -0.525   4.059
   19    HD1  PHE   4           HD2      PHE   4   3.368   1.375   5.806
   20    HD2  PHE   4           HD1      PHE   4   5.607   3.174   2.667
   21    HE1  PHE   4           HE2      PHE   4   4.253   3.036   7.389
   22    HE2  PHE   4           HE1      PHE   4   6.497   4.834   4.247
   23    HZ   PHE   4           HZ       PHE   4   5.793   4.783   6.608
   24    HB2  PHE   4           HB2      PHE   4   3.842   1.606   2.188
   25    HB3  PHE   4           HB1      PHE   4   2.891   0.880   3.478
   26    H    CYS   5           HN       CYS   5   4.187  -2.517   3.696
   27    HA   CYS   5           HA       CYS   5   3.531  -3.411   1.032
   28    HG   CYS   5           HG       CYS   5   6.065  -3.798   2.293
   29    HB2  CYS   5           HB2      CYS   5   3.331  -4.926   3.636
   30    HB3  CYS   5           HB1      CYS   5   3.386  -5.608   2.014
   31    H    CYS   6           HN       CYS   6   1.537  -4.002   0.266
   32    HA   CYS   6           HA       CYS   6  -0.768  -2.869   1.561
   33    HB2  CYS   6           HB2      CYS   6  -0.586  -2.852  -0.896
   34    HB3  CYS   6           HB1      CYS   6  -0.570  -4.613  -0.911
   35    HA   PRO   7           HA       PRO   7  -1.597  -6.543   3.957
   36    HB2  PRO   7           HB2      PRO   7  -4.001  -5.776   4.959
   37    HB3  PRO   7           HB1      PRO   7  -2.462  -5.147   5.559
   38    HG2  PRO   7           HG2      PRO   7  -4.396  -3.908   3.640
   39    HG3  PRO   7           HG1      PRO   7  -3.509  -3.159   4.981
   40    HD2  PRO   7           HD2      PRO   7  -2.722  -2.924   2.396
   41    HD3  PRO   7           HD1      PRO   7  -1.573  -2.947   3.749
   42    H    LYS   8           HN       LYS   8  -2.995  -5.691   1.127
   43    HA   LYS   8           HA       LYS   8  -4.950  -7.895   1.174
   44    HB2  LYS   8           HB2      LYS   8  -4.800  -5.562  -0.750
   45    HB3  LYS   8           HB1      LYS   8  -6.052  -6.792  -0.699
   46    HG2  LYS   8           HG2      LYS   8  -5.494  -4.863   1.541
   47    HG3  LYS   8           HG1      LYS   8  -6.708  -4.611   0.285
   48    HD2  LYS   8           HD2      LYS   8  -7.817  -6.700   0.972
   49    HD3  LYS   8           HD1      LYS   8  -6.621  -6.892   2.258
   50    HE2  LYS   8           HE2      LYS   8  -7.348  -4.793   3.259
   51    HE3  LYS   8           HE1      LYS   8  -8.511  -4.559   1.958
   52    HZ1  LYS   8           HZ1      LYS   8  -9.557  -5.426   3.956
   53    HZ2  LYS   8           HZ2      LYS   8  -8.547  -6.791   3.917
   54    HZ3  LYS   8           HZ3      LYS   8  -9.677  -6.540   2.678
   55    H    CYS   9           HN       CYS   9  -1.881  -7.097   0.141
   56    HA   CYS   9           HA       CYS   9  -1.944  -9.012  -2.070
   57    HB2  CYS   9           HB2      CYS   9  -0.663  -6.299  -2.356
   58    HB3  CYS   9           HB1      CYS   9  -0.936  -7.495  -3.617
   59    H    GLN  10           HN       GLN  10   0.446  -9.197  -2.933
   60    HA   GLN  10           HA       GLN  10   2.287  -9.109  -0.655
   61    HB2  GLN  10           HB2      GLN  10   3.820 -10.414  -2.090
   62    HB3  GLN  10           HB1      GLN  10   2.267 -11.210  -1.888
   63    HG2  GLN  10           HG2      GLN  10   1.576 -10.545  -4.083
   64    HG3  GLN  10           HG1      GLN  10   3.027  -9.563  -4.285
   65   HE21  GLN  10          HE21      GLN  10   4.754 -11.524  -3.000
   66   HE22  GLN  10          HE22      GLN  10   4.958 -12.807  -4.144
   67    H    TYR  11           HN       TYR  11   1.200  -7.005  -2.744
   68    HA   TYR  11           HA       TYR  11   3.563  -5.881  -3.887
   69    HD1  TYR  11           HD1      TYR  11   2.907  -4.604  -6.485
   70    HD2  TYR  11           HD2      TYR  11   1.545  -2.354  -3.142
   71    HE1  TYR  11           HE1      TYR  11   3.732  -2.544  -7.541
   72    HE2  TYR  11           HE2      TYR  11   2.370  -0.287  -4.187
   73    HH   TYR  11           HH       TYR  11   3.273  -0.114  -7.442
   74    HB2  TYR  11           HB2      TYR  11   1.316  -5.552  -4.881
   75    HB3  TYR  11           HB1      TYR  11   0.831  -4.640  -3.455
   76    H    GLN  12           HN       GLN  12   4.889  -4.382  -3.080
   77    HA   GLN  12           HA       GLN  12   4.126  -3.064  -0.573
   78    HB2  GLN  12           HB2      GLN  12   6.528  -3.133   0.067
   79    HB3  GLN  12           HB1      GLN  12   5.791  -4.724  -0.042
   80    HG2  GLN  12           HG2      GLN  12   6.780  -4.913  -2.342
   81    HG3  GLN  12           HG1      GLN  12   7.669  -3.430  -2.002
   82   HE21  GLN  12          HE21      GLN  12   7.975  -4.159   0.836
   83   HE22  GLN  12          HE22      GLN  12   9.207  -5.376   0.867
   84    H    ALA  13           HN       ALA  13   4.312  -0.904  -0.561
   85    HA   ALA  13           HA       ALA  13   5.338   0.352  -3.010
   86    HB1  ALA  13           HB1      ALA  13   3.482   1.496  -0.927
   87    HB2  ALA  13           HB2      ALA  13   2.979   0.770  -2.452
   88    HB3  ALA  13           HB3      ALA  13   3.937   2.251  -2.455
   89    HA   PRO  14           HA       PRO  14   8.824   1.924  -0.840
   90    HB2  PRO  14           HB2      PRO  14   9.325   4.141  -2.355
   91    HB3  PRO  14           HB1      PRO  14   9.740   2.499  -2.856
   92    HG2  PRO  14           HG2      PRO  14   7.377   4.172  -3.619
   93    HG3  PRO  14           HG1      PRO  14   8.387   3.128  -4.635
   94    HD2  PRO  14           HD2      PRO  14   5.974   2.338  -3.747
   95    HD3  PRO  14           HD1      PRO  14   7.323   1.200  -3.938
   96    H    ASP  15           HN       ASP  15   5.944   3.785  -1.235
   97    HA   ASP  15           HA       ASP  15   6.632   5.338   1.141
   98    HB2  ASP  15           HB2      ASP  15   7.175   6.728  -0.855
   99    HB3  ASP  15           HB1      ASP  15   5.492   6.602  -1.358
  100    H    MET  16           HN       MET  16   4.810   6.139   2.285
  101    HA   MET  16           HA       MET  16   2.650   4.296   2.258
  102    HB2  MET  16           HB2      MET  16   1.704   5.698   4.075
  103    HB3  MET  16           HB1      MET  16   3.368   5.211   4.355
  104    HG2  MET  16           HG2      MET  16   4.140   7.416   3.665
  105    HG3  MET  16           HG1      MET  16   2.472   7.905   3.365
  106    HE1  MET  16           HE1      MET  16   3.045  10.034   4.954
  107    HE2  MET  16           HE2      MET  16   4.652   9.392   5.290
  108    HE3  MET  16           HE3      MET  16   3.595   9.868   6.620
  109    H    ASP  17           HN       ASP  17   3.056   7.534   0.954
  110    HA   ASP  17           HA       ASP  17   0.277   7.980   0.451
  111    HB2  ASP  17           HB2      ASP  17   1.844   9.858   0.488
  112    HB3  ASP  17           HB1      ASP  17   2.723   9.179  -0.876
  113    H    THR  18           HN       THR  18   2.940   6.559  -1.339
  114    HA   THR  18           HA       THR  18   1.586   6.109  -3.764
  115    HB   THR  18           HB       THR  18   3.776   4.397  -2.567
  116    HG1  THR  18           HG1      THR  18   4.017   6.731  -4.205
  117   HG21  THR  18          HG21      THR  18   4.359   3.975  -4.920
  118   HG22  THR  18          HG22      THR  18   2.969   4.935  -5.430
  119   HG23  THR  18          HG23      THR  18   2.726   3.429  -4.546
  120    H    LEU  19           HN       LEU  19   1.904   4.181  -0.806
  121    HA   LEU  19           HA       LEU  19   0.492   1.916  -1.726
  122    HG   LEU  19           HG       LEU  19  -0.952   1.146   0.860
  123    HB2  LEU  19           HB2      LEU  19   1.912   1.933   0.301
  124    HB3  LEU  19           HB1      LEU  19   0.737   2.961   1.101
  125   HD11  LEU  19          HD11      LEU  19   1.402  -0.496  -0.049
  126   HD12  LEU  19          HD12      LEU  19   0.047   0.012  -1.055
  127   HD13  LEU  19          HD13      LEU  19  -0.223  -1.094   0.291
  128   HD21  LEU  19          HD21      LEU  19  -0.055  -0.260   2.631
  129   HD22  LEU  19          HD22      LEU  19   0.301   1.440   2.938
  130   HD23  LEU  19          HD23      LEU  19   1.565   0.369   2.328
  131    H    GLN  20           HN       GLN  20  -0.531   4.920  -0.179
  132    HA   GLN  20           HA       GLN  20  -3.228   4.231   0.230
  133    HB2  GLN  20           HB2      GLN  20  -2.123   6.173   1.281
  134    HB3  GLN  20           HB1      GLN  20  -2.027   6.958  -0.289
  135    HG2  GLN  20           HG2      GLN  20  -3.859   7.831   1.069
  136    HG3  GLN  20           HG1      GLN  20  -4.433   7.085  -0.420
  137   HE21  GLN  20          HE21      GLN  20  -5.609   5.184  -0.317
  138   HE22  GLN  20          HE22      GLN  20  -6.294   4.601   1.163
  139    H    ILE  21           HN       ILE  21  -1.508   5.499  -2.563
  140    HA   ILE  21           HA       ILE  21  -3.842   5.902  -4.167
  141    HB   ILE  21           HB       ILE  21  -0.951   5.547  -4.994
  142   HG12  ILE  21          HG12      ILE  21  -2.601   8.058  -4.642
  143   HG13  ILE  21          HG11      ILE  21  -1.379   7.483  -3.513
  144   HG21  ILE  21          HG21      ILE  21  -1.605   6.565  -7.110
  145   HG22  ILE  21          HG22      ILE  21  -3.284   6.621  -6.572
  146   HG23  ILE  21          HG23      ILE  21  -2.494   5.066  -6.831
  147   HD11  ILE  21          HD11      ILE  21  -0.533   9.275  -4.924
  148   HD12  ILE  21          HD12      ILE  21  -0.876   8.313  -6.362
  149   HD13  ILE  21          HD13      ILE  21   0.340   7.768  -5.207
  150    H    HIS  22           HN       HIS  22  -1.575   3.270  -3.647
  151    HA   HIS  22           HA       HIS  22  -2.442   1.532  -5.676
  152    HD1  HIS  22           HD1      HIS  22  -0.963  -1.086  -6.153
  153    HD2  HIS  22           HD2      HIS  22  -1.997  -1.347  -2.131
  154    HE1  HIS  22           HE1      HIS  22  -1.353  -3.540  -5.673
  155    HB2  HIS  22           HB2      HIS  22  -0.371   1.060  -4.589
  156    HB3  HIS  22           HB1      HIS  22  -1.124   1.054  -3.000
  157    H    VAL  23           HN       VAL  23  -3.328   1.583  -2.214
  158    HA   VAL  23           HA       VAL  23  -5.372  -0.378  -2.501
  159    HB   VAL  23           HB       VAL  23  -6.088   0.300  -0.222
  160   HG11  VAL  23          HG11      VAL  23  -3.117  -0.104  -0.567
  161   HG12  VAL  23          HG12      VAL  23  -4.342  -1.373  -0.526
  162   HG13  VAL  23          HG13      VAL  23  -4.035  -0.400   0.912
  163   HG21  VAL  23          HG21      VAL  23  -5.587   2.680  -0.353
  164   HG22  VAL  23          HG22      VAL  23  -3.863   2.319  -0.453
  165   HG23  VAL  23          HG23      VAL  23  -4.763   1.935   1.015
  166    H    MET  24           HN       MET  24  -5.343   3.133  -2.567
  167    HA   MET  24           HA       MET  24  -6.928   4.708  -2.926
  168    HB2  MET  24           HB2      MET  24  -6.958   3.387  -5.112
  169    HB3  MET  24           HB1      MET  24  -8.417   2.617  -4.510
  170    HG2  MET  24           HG2      MET  24  -8.979   4.435  -5.988
  171    HG3  MET  24           HG1      MET  24  -9.507   4.795  -4.345
  172    HE1  MET  24           HE1      MET  24  -8.571   8.341  -5.709
  173    HE2  MET  24           HE2      MET  24  -9.814   7.353  -4.947
  174    HE3  MET  24           HE3      MET  24  -9.321   7.022  -6.608
  175    H    GLU  25           HN       GLU  25  -7.260   4.121  -0.560
  176    HA   GLU  25           HA       GLU  25  -8.583   3.905   1.255
  177    HB2  GLU  25           HB2      GLU  25 -10.835   4.250  -0.719
  178    HB3  GLU  25           HB1      GLU  25 -10.984   4.365   1.027
  179    HG2  GLU  25           HG2      GLU  25  -9.317   6.240   0.943
  180    HG3  GLU  25           HG1      GLU  25  -9.474   6.201  -0.812
  181    H    PHE  26           HN       PHE  26 -10.931   2.613   1.828
  182    HA   PHE  26           HA       PHE  26 -10.573  -0.103   0.775
  183    HD1  PHE  26           HD2      PHE  26  -7.788  -0.801   1.797
  184    HD2  PHE  26           HD1      PHE  26  -9.490   2.081   4.433
  185    HE1  PHE  26           HE2      PHE  26  -5.570   0.198   2.146
  186    HE2  PHE  26           HE1      PHE  26  -7.278   3.085   4.773
  187    HZ   PHE  26           HZ       PHE  26  -5.310   2.140   3.636
  188    HB2  PHE  26           HB2      PHE  26 -10.763   0.225   3.745
  189    HB3  PHE  26           HB1      PHE  26 -10.055  -1.090   2.812
  190    H    ILE  27           HN       ILE  27 -12.238  -1.581   2.020
  191    HA   ILE  27           HA       ILE  27 -14.819  -0.171   2.036
  192    HB   ILE  27           HB       ILE  27 -14.482  -3.171   2.035
  193   HG12  ILE  27          HG12      ILE  27 -14.628  -1.386  -0.407
  194   HG13  ILE  27          HG11      ILE  27 -13.176  -2.217   0.143
  195   HG21  ILE  27          HG21      ILE  27 -16.664  -1.356   1.003
  196   HG22  ILE  27          HG22      ILE  27 -16.705  -2.256   2.519
  197   HG23  ILE  27          HG23      ILE  27 -16.687  -3.119   0.981
  198   HD11  ILE  27          HD11      ILE  27 -14.253  -3.386  -1.705
  199   HD12  ILE  27          HD12      ILE  27 -15.724  -3.552  -0.746
  200   HD13  ILE  27          HD13      ILE  27 -14.244  -4.365  -0.238
  201    H    GLU  28           HN       GLU  28 -12.679  -0.390   4.150
  202    HA   GLU  28           HA       GLU  28 -14.304  -1.577   6.299
  203    HB2  GLU  28           HB2      GLU  28 -11.289  -1.509   6.014
  204    HB3  GLU  28           HB1      GLU  28 -12.150  -2.105   7.427
  205    HG2  GLU  28           HG2      GLU  28 -12.945  -3.975   6.315
  206    HG3  GLU  28           HG1      GLU  28 -12.691  -3.260   4.725
  Start of MODEL    2
    1    HA   SER   1           HA       SER   1  13.089  -2.564   6.924
    2    HG   SER   1           HG       SER   1  15.904  -3.363   7.154
    3    H1   SER   1           HT1      SER   1  14.118  -2.688   4.753
    4    H2   SER   1           HT2      SER   1  14.035  -1.007   4.589
    5    H3   SER   1           HT3      SER   1  12.609  -1.922   4.653
    6    HB2  SER   1           HB2      SER   1  15.444  -0.678   6.702
    7    HB3  SER   1           HB1      SER   1  15.013  -1.687   8.084
    8    H    SER   2           HN       SER   2  11.990  -0.261   5.110
    9    HA   SER   2           HA       SER   2  10.840   1.249   7.281
   10    HG   SER   2           HG       SER   2  13.542   1.746   5.092
   11    HB2  SER   2           HB2      SER   2  11.533   3.455   6.152
   12    HB3  SER   2           HB1      SER   2  12.780   2.616   7.073
   13    H    ASP   3           HN       ASP   3   9.867  -0.548   5.402
   14    HA   ASP   3           HA       ASP   3   8.895   0.994   3.113
   15    HB2  ASP   3           HB2      ASP   3   8.787  -2.000   3.490
   16    HB3  ASP   3           HB1      ASP   3   8.669  -1.094   1.984
   17    H    PHE   4           HN       PHE   4   6.722   0.261   2.277
   18    HA   PHE   4           HA       PHE   4   4.834  -0.274   4.478
   19    HD1  PHE   4           HD2      PHE   4   3.414   2.123   5.474
   20    HD2  PHE   4           HD1      PHE   4   6.089   3.059   2.296
   21    HE1  PHE   4           HE2      PHE   4   4.173   4.111   6.703
   22    HE2  PHE   4           HE1      PHE   4   6.851   5.053   3.520
   23    HZ   PHE   4           HZ       PHE   4   5.893   5.580   5.729
   24    HB2  PHE   4           HB2      PHE   4   4.354   1.420   2.006
   25    HB3  PHE   4           HB1      PHE   4   3.185   1.096   3.278
   26    H    CYS   5           HN       CYS   5   2.821  -1.427   3.669
   27    HA   CYS   5           HA       CYS   5   3.237  -2.892   1.191
   28    HG   CYS   5           HG       CYS   5   2.506  -6.580   2.577
   29    HB2  CYS   5           HB2      CYS   5   4.547  -4.092   2.985
   30    HB3  CYS   5           HB1      CYS   5   3.022  -4.396   3.808
   31    H    CYS   6           HN       CYS   6   1.396  -4.051   0.482
   32    HA   CYS   6           HA       CYS   6  -1.106  -3.194   1.755
   33    HB2  CYS   6           HB2      CYS   6  -0.810  -2.810  -0.697
   34    HB3  CYS   6           HB1      CYS   6  -0.693  -4.550  -0.923
   35    HA   PRO   7           HA       PRO   7  -1.106  -7.325   3.491
   36    HB2  PRO   7           HB2      PRO   7  -3.270  -7.045   5.067
   37    HB3  PRO   7           HB1      PRO   7  -1.722  -6.282   5.454
   38    HG2  PRO   7           HG2      PRO   7  -4.157  -5.088   4.182
   39    HG3  PRO   7           HG1      PRO   7  -3.113  -4.418   5.450
   40    HD2  PRO   7           HD2      PRO   7  -2.923  -3.711   2.824
   41    HD3  PRO   7           HD1      PRO   7  -1.540  -3.688   3.937
   42    H    LYS   8           HN       LYS   8  -2.896  -6.273   1.059
   43    HA   LYS   8           HA       LYS   8  -4.649  -8.636   1.035
   44    HB2  LYS   8           HB2      LYS   8  -5.278  -5.895  -0.085
   45    HB3  LYS   8           HB1      LYS   8  -6.319  -7.308  -0.184
   46    HG2  LYS   8           HG2      LYS   8  -6.627  -7.316   2.202
   47    HG3  LYS   8           HG1      LYS   8  -5.451  -6.012   2.395
   48    HD2  LYS   8           HD2      LYS   8  -6.905  -4.522   1.101
   49    HD3  LYS   8           HD1      LYS   8  -8.081  -5.828   0.922
   50    HE2  LYS   8           HE2      LYS   8  -8.379  -5.905   3.340
   51    HE3  LYS   8           HE1      LYS   8  -7.178  -4.630   3.539
   52    HZ1  LYS   8           HZ1      LYS   8  -9.735  -4.342   2.054
   53    HZ2  LYS   8           HZ2      LYS   8  -8.596  -3.117   2.345
   54    HZ3  LYS   8           HZ3      LYS   8  -9.460  -3.792   3.636
   55    H    CYS   9           HN       CYS   9  -1.974  -7.395  -0.244
   56    HA   CYS   9           HA       CYS   9  -2.338  -8.720  -2.814
   57    HB2  CYS   9           HB2      CYS   9  -1.288  -5.890  -2.592
   58    HB3  CYS   9           HB1      CYS   9  -1.443  -6.829  -4.072
   59    H    GLN  10           HN       GLN  10  -0.239  -9.074  -3.896
   60    HA   GLN  10           HA       GLN  10   1.943  -9.435  -2.014
   61    HB2  GLN  10           HB2      GLN  10   1.989  -9.938  -4.999
   62    HB3  GLN  10           HB1      GLN  10   3.085 -10.591  -3.792
   63    HG2  GLN  10           HG2      GLN  10   1.770 -12.401  -4.117
   64    HG3  GLN  10           HG1      GLN  10   0.847 -11.617  -2.837
   65   HE21  GLN  10          HE21      GLN  10   0.992 -12.381  -6.205
   66   HE22  GLN  10          HE22      GLN  10  -0.649 -11.976  -6.587
   67    H    TYR  11           HN       TYR  11   1.435  -6.821  -2.086
   68    HA   TYR  11           HA       TYR  11   3.471  -5.667  -3.862
   69    HD1  TYR  11           HD1      TYR  11   2.802  -4.386  -6.386
   70    HD2  TYR  11           HD2      TYR  11   1.515  -2.168  -2.989
   71    HE1  TYR  11           HE1      TYR  11   3.643  -2.320  -7.419
   72    HE2  TYR  11           HE2      TYR  11   2.356  -0.101  -4.009
   73    HH   TYR  11           HH       TYR  11   3.317   0.050  -7.317
   74    HB2  TYR  11           HB2      TYR  11   1.167  -5.308  -4.775
   75    HB3  TYR  11           HB1      TYR  11   0.773  -4.419  -3.306
   76    H    GLN  12           HN       GLN  12   4.899  -4.522  -2.805
   77    HA   GLN  12           HA       GLN  12   4.097  -3.208  -0.296
   78    HB2  GLN  12           HB2      GLN  12   6.513  -3.504   0.409
   79    HB3  GLN  12           HB1      GLN  12   5.546  -4.972   0.364
   80    HG2  GLN  12           HG2      GLN  12   6.513  -5.468  -1.871
   81    HG3  GLN  12           HG1      GLN  12   7.567  -4.069  -1.674
   82   HE21  GLN  12          HE21      GLN  12   8.146  -6.933  -1.960
   83   HE22  GLN  12          HE22      GLN  12   9.139  -7.341  -0.597
   84    H    ALA  13           HN       ALA  13   4.315  -1.068  -0.327
   85    HA   ALA  13           HA       ALA  13   5.691   0.108  -2.634
   86    HB1  ALA  13           HB1      ALA  13   3.313   0.631  -2.389
   87    HB2  ALA  13           HB2      ALA  13   4.316   2.076  -2.256
   88    HB3  ALA  13           HB3      ALA  13   3.635   1.339  -0.805
   89    HA   PRO  14           HA       PRO  14   8.780   1.675   0.143
   90    HB2  PRO  14           HB2      PRO  14  10.096   3.254  -1.590
   91    HB3  PRO  14           HB1      PRO  14  10.187   1.492  -1.681
   92    HG2  PRO  14           HG2      PRO  14   8.536   3.391  -3.302
   93    HG3  PRO  14           HG1      PRO  14   9.446   1.965  -3.832
   94    HD2  PRO  14           HD2      PRO  14   6.746   1.960  -3.401
   95    HD3  PRO  14           HD1      PRO  14   7.770   0.521  -3.234
   96    H    ASP  15           HN       ASP  15   6.153   3.298  -0.958
   97    HA   ASP  15           HA       ASP  15   6.832   5.736   0.518
   98    HB2  ASP  15           HB2      ASP  15   7.163   6.292  -1.831
   99    HB3  ASP  15           HB1      ASP  15   5.575   5.649  -2.230
  100    H    MET  16           HN       MET  16   5.036   6.829   1.405
  101    HA   MET  16           HA       MET  16   2.927   5.020   2.170
  102    HB2  MET  16           HB2      MET  16   3.988   6.570   3.789
  103    HB3  MET  16           HB1      MET  16   3.326   7.930   2.893
  104    HG2  MET  16           HG2      MET  16   1.053   7.060   3.351
  105    HG3  MET  16           HG1      MET  16   1.780   5.806   4.356
  106    HE1  MET  16           HE1      MET  16   0.951   9.628   3.997
  107    HE2  MET  16           HE2      MET  16   2.709   9.590   3.878
  108    HE3  MET  16           HE3      MET  16   1.937  10.323   5.284
  109    H    ASP  17           HN       ASP  17   3.208   8.017   0.305
  110    HA   ASP  17           HA       ASP  17   0.400   8.392  -0.024
  111    HB2  ASP  17           HB2      ASP  17   1.957  10.253  -0.269
  112    HB3  ASP  17           HB1      ASP  17   2.728   9.457  -1.639
  113    H    THR  18           HN       THR  18   2.942   7.051  -2.060
  114    HA   THR  18           HA       THR  18   1.428   6.313  -4.270
  115    HB   THR  18           HB       THR  18   3.747   4.781  -3.086
  116    HG1  THR  18           HG1      THR  18   4.151   7.073  -3.433
  117   HG21  THR  18          HG21      THR  18   4.192   4.134  -5.408
  118   HG22  THR  18          HG22      THR  18   2.735   4.983  -5.921
  119   HG23  THR  18          HG23      THR  18   2.610   3.571  -4.869
  120    H    LEU  19           HN       LEU  19   1.967   4.589  -1.208
  121    HA   LEU  19           HA       LEU  19   0.600   2.224  -1.976
  122    HG   LEU  19           HG       LEU  19  -0.608   1.514   0.746
  123    HB2  LEU  19           HB2      LEU  19   2.191   2.245  -0.118
  124    HB3  LEU  19           HB1      LEU  19   1.137   3.321   0.786
  125   HD11  LEU  19          HD11      LEU  19   1.674  -0.144  -0.308
  126   HD12  LEU  19          HD12      LEU  19   0.190   0.262  -1.170
  127   HD13  LEU  19          HD13      LEU  19   0.125  -0.769   0.261
  128   HD21  LEU  19          HD21      LEU  19   0.809   1.911   2.696
  129   HD22  LEU  19          HD22      LEU  19   2.012   0.798   2.043
  130   HD23  LEU  19          HD23      LEU  19   0.421   0.200   2.507
  131    H    GLN  20           HN       GLN  20  -0.423   5.219  -0.420
  132    HA   GLN  20           HA       GLN  20  -2.959   4.348   0.422
  133    HB2  GLN  20           HB2      GLN  20  -1.993   7.102  -0.334
  134    HB3  GLN  20           HB1      GLN  20  -3.574   6.782   0.366
  135    HG2  GLN  20           HG2      GLN  20  -0.894   6.293   1.638
  136    HG3  GLN  20           HG1      GLN  20  -2.081   7.516   2.087
  137   HE21  GLN  20          HE21      GLN  20  -1.192   4.182   2.259
  138   HE22  GLN  20          HE22      GLN  20  -2.379   3.698   3.419
  139    H    ILE  21           HN       ILE  21  -1.847   5.665  -2.654
  140    HA   ILE  21           HA       ILE  21  -4.389   5.754  -3.903
  141    HB   ILE  21           HB       ILE  21  -1.680   5.341  -5.185
  142   HG12  ILE  21          HG12      ILE  21  -3.254   7.873  -4.678
  143   HG13  ILE  21          HG11      ILE  21  -1.802   7.384  -3.811
  144   HG21  ILE  21          HG21      ILE  21  -2.728   6.199  -7.215
  145   HG22  ILE  21          HG22      ILE  21  -4.273   6.320  -6.375
  146   HG23  ILE  21          HG23      ILE  21  -3.545   4.738  -6.659
  147   HD11  ILE  21          HD11      ILE  21  -1.322   9.080  -5.483
  148   HD12  ILE  21          HD12      ILE  21  -1.965   8.031  -6.747
  149   HD13  ILE  21          HD13      ILE  21  -0.511   7.562  -5.864
  150    H    HIS  22           HN       HIS  22  -1.886   3.281  -3.665
  151    HA   HIS  22           HA       HIS  22  -3.074   1.331  -5.298
  152    HD1  HIS  22           HD1      HIS  22  -1.035  -1.081  -6.014
  153    HD2  HIS  22           HD2      HIS  22  -2.017  -1.346  -1.981
  154    HE1  HIS  22           HE1      HIS  22  -1.222  -3.547  -5.493
  155    HB2  HIS  22           HB2      HIS  22  -0.758   1.137  -4.670
  156    HB3  HIS  22           HB1      HIS  22  -1.168   1.099  -2.959
  157    H    VAL  23           HN       VAL  23  -3.394   1.953  -1.812
  158    HA   VAL  23           HA       VAL  23  -5.236  -0.289  -1.565
  159    HB   VAL  23           HB       VAL  23  -5.270   0.225   0.840
  160   HG11  VAL  23          HG11      VAL  23  -2.940  -0.364   1.314
  161   HG12  VAL  23          HG12      VAL  23  -2.501   0.048  -0.343
  162   HG13  VAL  23          HG13      VAL  23  -3.590  -1.303  -0.028
  163   HG21  VAL  23          HG21      VAL  23  -3.358   2.431   0.110
  164   HG22  VAL  23          HG22      VAL  23  -3.728   1.901   1.751
  165   HG23  VAL  23          HG23      VAL  23  -4.988   2.630   0.755
  166    H    MET  24           HN       MET  24  -5.649   2.666  -2.731
  167    HA   MET  24           HA       MET  24  -7.852   3.678  -1.268
  168    HB2  MET  24           HB2      MET  24  -6.500   5.041  -2.836
  169    HB3  MET  24           HB1      MET  24  -7.168   4.131  -4.183
  170    HG2  MET  24           HG2      MET  24  -8.271   6.280  -3.939
  171    HG3  MET  24           HG1      MET  24  -9.396   4.953  -3.653
  172    HE1  MET  24           HE1      MET  24 -11.148   6.527  -2.509
  173    HE2  MET  24           HE2      MET  24 -10.110   7.925  -2.790
  174    HE3  MET  24           HE3      MET  24 -10.777   7.630  -1.184
  175    H    GLU  25           HN       GLU  25  -7.551   1.020  -3.363
  176    HA   GLU  25           HA       GLU  25 -10.165   0.900  -4.433
  177    HB2  GLU  25           HB2      GLU  25  -8.295  -1.373  -3.768
  178    HB3  GLU  25           HB1      GLU  25  -9.710  -1.479  -4.801
  179    HG2  GLU  25           HG2      GLU  25  -8.633   0.187  -6.315
  180    HG3  GLU  25           HG1      GLU  25  -7.175   0.044  -5.329
  181    H    PHE  26           HN       PHE  26  -9.010   0.549  -1.273
  182    HA   PHE  26           HA       PHE  26 -11.379  -1.015  -0.473
  183    HD1  PHE  26           HD2      PHE  26 -10.385  -3.199  -1.555
  184    HD2  PHE  26           HD1      PHE  26  -6.841  -1.600   0.169
  185    HE1  PHE  26           HE2      PHE  26  -9.043  -4.354  -3.253
  186    HE2  PHE  26           HE1      PHE  26  -5.491  -2.754  -1.528
  187    HZ   PHE  26           HZ       PHE  26  -6.588  -4.141  -3.237
  188    HB2  PHE  26           HB2      PHE  26  -8.845  -1.103   1.123
  189    HB3  PHE  26           HB1      PHE  26 -10.115  -2.314   0.975
  190    H    ILE  27           HN       ILE  27 -12.421  -0.380   1.412
  191    HA   ILE  27           HA       ILE  27 -11.736   2.315   2.315
  192    HB   ILE  27           HB       ILE  27 -13.941   2.446   3.318
  193   HG12  ILE  27          HG12      ILE  27 -14.101  -0.014   3.896
  194   HG13  ILE  27          HG11      ILE  27 -15.573   0.715   3.272
  195   HG21  ILE  27          HG21      ILE  27 -14.019   1.434   0.484
  196   HG22  ILE  27          HG22      ILE  27 -13.743   3.095   1.008
  197   HG23  ILE  27          HG23      ILE  27 -15.310   2.333   1.279
  198   HD11  ILE  27          HD11      ILE  27 -13.657  -1.023   1.729
  199   HD12  ILE  27          HD12      ILE  27 -15.121  -0.282   1.081
  200   HD13  ILE  27          HD13      ILE  27 -15.239  -1.501   2.352
  201    H    GLU  28           HN       GLU  28 -11.568  -0.945   3.328
  202    HA   GLU  28           HA       GLU  28 -10.707  -0.038   5.987
  203    HB2  GLU  28           HB2      GLU  28 -12.975  -1.053   6.137
  204    HB3  GLU  28           HB1      GLU  28 -12.328  -2.536   5.450
  205    HG2  GLU  28           HG2      GLU  28 -10.778  -2.688   7.376
  206    HG3  GLU  28           HG1      GLU  28 -11.582  -1.288   8.082
  Start of MODEL    3
    1    HA   SER   1           HA       SER   1  14.522  -0.141   8.816
    2    HG   SER   1           HG       SER   1  14.115   0.388  11.968
    3    H1   SER   1           HT1      SER   1  12.041   1.467   8.772
    4    H2   SER   1           HT2      SER   1  13.290   1.549   7.630
    5    H3   SER   1           HT3      SER   1  13.572   2.017   9.238
    6    HB2  SER   1           HB2      SER   1  12.048  -0.431  10.533
    7    HB3  SER   1           HB1      SER   1  13.606  -1.235  10.738
    8    H    SER   2           HN       SER   2  11.027   0.001   8.236
    9    HA   SER   2           HA       SER   2  11.334  -2.198   6.320
   10    HG   SER   2           HG       SER   2  11.297  -3.673   8.234
   11    HB2  SER   2           HB2      SER   2   9.043  -1.943   8.287
   12    HB3  SER   2           HB1      SER   2   9.252  -3.218   7.085
   13    H    ASP   3           HN       ASP   3   9.718  -2.175   4.634
   14    HA   ASP   3           HA       ASP   3   8.814   0.549   4.075
   15    HB2  ASP   3           HB2      ASP   3   8.636  -0.147   1.755
   16    HB3  ASP   3           HB1      ASP   3  10.219  -0.583   2.384
   17    H    PHE   4           HN       PHE   4   6.761   0.196   2.352
   18    HA   PHE   4           HA       PHE   4   4.678  -0.730   4.204
   19    HD1  PHE   4           HD2      PHE   4   3.292   1.416   5.310
   20    HD2  PHE   4           HD1      PHE   4   6.001   2.848   2.357
   21    HE1  PHE   4           HE2      PHE   4   3.901   3.294   6.781
   22    HE2  PHE   4           HE1      PHE   4   6.617   4.723   3.825
   23    HZ   PHE   4           HZ       PHE   4   5.534   4.965   6.029
   24    HB2  PHE   4           HB2      PHE   4   4.499   1.127   1.824
   25    HB3  PHE   4           HB1      PHE   4   3.171   0.711   2.898
   26    H    CYS   5           HN       CYS   5   2.965  -2.039   3.495
   27    HA   CYS   5           HA       CYS   5   3.087  -3.075   0.768
   28    HG   CYS   5           HG       CYS   5   2.358  -6.967   1.811
   29    HB2  CYS   5           HB2      CYS   5   4.452  -4.605   2.194
   30    HB3  CYS   5           HB1      CYS   5   3.024  -4.905   3.178
   31    H    CYS   6           HN       CYS   6   1.117  -3.750  -0.032
   32    HA   CYS   6           HA       CYS   6  -1.232  -2.897   1.393
   33    HB2  CYS   6           HB2      CYS   6  -1.100  -2.661  -1.045
   34    HB3  CYS   6           HB1      CYS   6  -0.937  -4.402  -1.221
   35    HA   PRO   7           HA       PRO   7  -1.338  -6.656   3.723
   36    HB2  PRO   7           HB2      PRO   7  -4.068  -5.800   4.458
   37    HB3  PRO   7           HB1      PRO   7  -2.664  -6.102   5.488
   38    HG2  PRO   7           HG2      PRO   7  -3.527  -3.617   5.035
   39    HG3  PRO   7           HG1      PRO   7  -1.794  -3.981   5.151
   40    HD2  PRO   7           HD2      PRO   7  -3.486  -3.543   2.712
   41    HD3  PRO   7           HD1      PRO   7  -1.853  -2.937   3.075
   42    H    LYS   8           HN       LYS   8  -3.840  -5.795   1.446
   43    HA   LYS   8           HA       LYS   8  -4.892  -8.532   1.504
   44    HB2  LYS   8           HB2      LYS   8  -6.018  -6.084   0.141
   45    HB3  LYS   8           HB1      LYS   8  -6.801  -7.654   0.264
   46    HG2  LYS   8           HG2      LYS   8  -6.824  -7.398   2.726
   47    HG3  LYS   8           HG1      LYS   8  -6.164  -5.773   2.525
   48    HD2  LYS   8           HD2      LYS   8  -8.556  -5.633   2.810
   49    HD3  LYS   8           HD1      LYS   8  -8.135  -5.181   1.158
   50    HE2  LYS   8           HE2      LYS   8  -8.775  -7.392   0.369
   51    HE3  LYS   8           HE1      LYS   8  -9.137  -7.895   2.020
   52    HZ1  LYS   8           HZ1      LYS   8 -11.169  -7.327   0.944
   53    HZ2  LYS   8           HZ2      LYS   8 -10.564  -5.835   0.424
   54    HZ3  LYS   8           HZ3      LYS   8 -10.839  -6.103   2.070
   55    H    CYS   9           HN       CYS   9  -2.440  -7.158   0.059
   56    HA   CYS   9           HA       CYS   9  -2.753  -8.729  -2.391
   57    HB2  CYS   9           HB2      CYS   9  -1.843  -5.838  -2.350
   58    HB3  CYS   9           HB1      CYS   9  -1.758  -6.899  -3.749
   59    H    GLN  10           HN       GLN  10  -0.456  -8.463  -3.618
   60    HA   GLN  10           HA       GLN  10   1.662  -8.381  -1.575
   61    HB2  GLN  10           HB2      GLN  10   1.459 -10.081  -4.059
   62    HB3  GLN  10           HB1      GLN  10   2.996  -9.781  -3.260
   63    HG2  GLN  10           HG2      GLN  10   0.595 -11.033  -1.940
   64    HG3  GLN  10           HG1      GLN  10   1.953 -11.927  -2.622
   65   HE21  GLN  10          HE21      GLN  10   2.438 -12.839  -0.607
   66   HE22  GLN  10          HE22      GLN  10   3.196 -11.917   0.652
   67    H    TYR  11           HN       TYR  11   1.974  -6.223  -1.755
   68    HA   TYR  11           HA       TYR  11   3.424  -5.287  -4.072
   69    HD1  TYR  11           HD1      TYR  11   2.551  -3.758  -6.456
   70    HD2  TYR  11           HD2      TYR  11   1.518  -1.767  -2.843
   71    HE1  TYR  11           HE1      TYR  11   3.237  -1.618  -7.448
   72    HE2  TYR  11           HE2      TYR  11   2.201   0.379  -3.819
   73    HH   TYR  11           HH       TYR  11   2.695   0.852  -7.083
   74    HB2  TYR  11           HB2      TYR  11   1.122  -4.825  -4.762
   75    HB3  TYR  11           HB1      TYR  11   0.805  -4.019  -3.230
   76    H    GLN  12           HN       GLN  12   5.071  -4.162  -3.319
   77    HA   GLN  12           HA       GLN  12   4.849  -3.049  -0.601
   78    HB2  GLN  12           HB2      GLN  12   7.206  -4.339  -1.984
   79    HB3  GLN  12           HB1      GLN  12   7.293  -3.533  -0.422
   80    HG2  GLN  12           HG2      GLN  12   5.855  -5.139   0.578
   81    HG3  GLN  12           HG1      GLN  12   5.465  -5.850  -0.986
   82   HE21  GLN  12          HE21      GLN  12   6.116  -7.885  -0.282
   83   HE22  GLN  12          HE22      GLN  12   7.786  -8.301  -0.072
   84    H    ALA  13           HN       ALA  13   4.972  -0.937  -0.516
   85    HA   ALA  13           HA       ALA  13   6.241   0.511  -2.742
   86    HB1  ALA  13           HB1      ALA  13   4.043   1.444  -0.894
   87    HB2  ALA  13           HB2      ALA  13   3.826   0.886  -2.554
   88    HB3  ALA  13           HB3      ALA  13   4.735   2.364  -2.233
   89    HA   PRO  14           HA       PRO  14   9.170   2.075   0.187
   90    HB2  PRO  14           HB2      PRO  14  10.086   4.208  -1.203
   91    HB3  PRO  14           HB1      PRO  14  10.494   2.542  -1.627
   92    HG2  PRO  14           HG2      PRO  14   8.456   4.362  -2.842
   93    HG3  PRO  14           HG1      PRO  14   9.575   3.243  -3.642
   94    HD2  PRO  14           HD2      PRO  14   6.949   2.673  -3.201
   95    HD3  PRO  14           HD1      PRO  14   8.214   1.432  -3.283
   96    H    ASP  15           HN       ASP  15   6.701   4.203  -1.154
   97    HA   ASP  15           HA       ASP  15   6.900   5.850   1.272
   98    HB2  ASP  15           HB2      ASP  15   6.033   7.749  -0.013
   99    HB3  ASP  15           HB1      ASP  15   7.527   7.146  -0.718
  100    H    MET  16           HN       MET  16   4.752   7.020   1.703
  101    HA   MET  16           HA       MET  16   2.840   4.868   2.066
  102    HB2  MET  16           HB2      MET  16   3.491   6.352   3.942
  103    HB3  MET  16           HB1      MET  16   2.793   7.717   3.083
  104    HG2  MET  16           HG2      MET  16   0.593   6.551   3.160
  105    HG3  MET  16           HG1      MET  16   1.340   5.323   4.180
  106    HE1  MET  16           HE1      MET  16   0.912   9.755   5.392
  107    HE2  MET  16           HE2      MET  16   0.290   9.093   3.879
  108    HE3  MET  16           HE3      MET  16   2.028   9.195   4.149
  109    H    ASP  17           HN       ASP  17   3.181   7.758   0.171
  110    HA   ASP  17           HA       ASP  17   0.441   8.253  -0.337
  111    HB2  ASP  17           HB2      ASP  17   2.899   8.997  -1.934
  112    HB3  ASP  17           HB1      ASP  17   1.276   9.583  -2.287
  113    H    THR  18           HN       THR  18   2.932   6.548  -2.184
  114    HA   THR  18           HA       THR  18   1.302   5.741  -4.324
  115    HB   THR  18           HB       THR  18   3.690   4.257  -3.202
  116    HG1  THR  18           HG1      THR  18   4.349   6.350  -3.577
  117   HG21  THR  18          HG21      THR  18   2.575   4.399  -6.007
  118   HG22  THR  18          HG22      THR  18   2.399   3.033  -4.905
  119   HG23  THR  18          HG23      THR  18   3.997   3.493  -5.492
  120    H    LEU  19           HN       LEU  19   1.999   4.260  -1.199
  121    HA   LEU  19           HA       LEU  19   0.646   1.826  -1.589
  122    HG   LEU  19           HG       LEU  19  -0.615   1.428   1.028
  123    HB2  LEU  19           HB2      LEU  19   2.176   2.257   0.293
  124    HB3  LEU  19           HB1      LEU  19   1.028   3.403   0.961
  125   HD11  LEU  19          HD11      LEU  19   1.982  -0.064   0.734
  126   HD12  LEU  19          HD12      LEU  19   0.604  -0.108  -0.367
  127   HD13  LEU  19          HD13      LEU  19   0.457  -0.773   1.260
  128   HD21  LEU  19          HD21      LEU  19   0.211   2.376   3.040
  129   HD22  LEU  19          HD22      LEU  19   1.787   1.622   2.824
  130   HD23  LEU  19          HD23      LEU  19   0.377   0.625   3.180
  131    H    GLN  20           HN       GLN  20  -0.399   4.929  -0.282
  132    HA   GLN  20           HA       GLN  20  -2.963   4.286   0.543
  133    HB2  GLN  20           HB2      GLN  20  -1.763   6.403   1.010
  134    HB3  GLN  20           HB1      GLN  20  -2.013   6.892  -0.658
  135    HG2  GLN  20           HG2      GLN  20  -4.394   6.975  -0.325
  136    HG3  GLN  20           HG1      GLN  20  -4.220   6.339   1.312
  137   HE21  GLN  20          HE21      GLN  20  -2.008   8.634  -0.091
  138   HE22  GLN  20          HE22      GLN  20  -2.436   9.972   0.919
  139    H    ILE  21           HN       ILE  21  -1.860   5.368  -2.652
  140    HA   ILE  21           HA       ILE  21  -4.457   5.411  -3.809
  141    HB   ILE  21           HB       ILE  21  -1.765   5.197  -5.167
  142   HG12  ILE  21          HG12      ILE  21  -3.523   7.562  -4.495
  143   HG13  ILE  21          HG11      ILE  21  -1.950   7.198  -3.799
  144   HG21  ILE  21          HG21      ILE  21  -2.904   6.002  -7.168
  145   HG22  ILE  21          HG22      ILE  21  -4.444   5.992  -6.309
  146   HG23  ILE  21          HG23      ILE  21  -3.600   4.474  -6.625
  147   HD11  ILE  21          HD11      ILE  21  -1.762   8.975  -5.413
  148   HD12  ILE  21          HD12      ILE  21  -2.501   7.964  -6.654
  149   HD13  ILE  21          HD13      ILE  21  -0.920   7.542  -5.999
  150    H    HIS  22           HN       HIS  22  -1.956   2.953  -3.508
  151    HA   HIS  22           HA       HIS  22  -3.195   1.092  -5.274
  152    HD1  HIS  22           HD1      HIS  22  -1.179  -1.273  -6.271
  153    HD2  HIS  22           HD2      HIS  22  -2.152  -1.773  -2.259
  154    HE1  HIS  22           HE1      HIS  22  -1.514  -3.757  -5.926
  155    HB2  HIS  22           HB2      HIS  22  -0.834   0.858  -4.804
  156    HB3  HIS  22           HB1      HIS  22  -1.151   0.695  -3.079
  157    H    VAL  23           HN       VAL  23  -3.240   1.501  -1.730
  158    HA   VAL  23           HA       VAL  23  -4.850  -0.839  -1.334
  159    HB   VAL  23           HB       VAL  23  -4.433   1.422   0.631
  160   HG11  VAL  23          HG11      VAL  23  -5.087  -1.492   1.065
  161   HG12  VAL  23          HG12      VAL  23  -6.221  -0.150   1.221
  162   HG13  VAL  23          HG13      VAL  23  -4.850  -0.279   2.325
  163   HG21  VAL  23          HG21      VAL  23  -2.749  -1.038   0.170
  164   HG22  VAL  23          HG22      VAL  23  -2.570   0.087   1.518
  165   HG23  VAL  23          HG23      VAL  23  -2.274   0.635  -0.132
  166    H    MET  24           HN       MET  24  -5.542   2.209  -2.502
  167    HA   MET  24           HA       MET  24  -8.092   2.716  -1.408
  168    HB2  MET  24           HB2      MET  24  -6.624   4.313  -2.714
  169    HB3  MET  24           HB1      MET  24  -7.156   3.485  -4.170
  170    HG2  MET  24           HG2      MET  24  -8.426   5.514  -3.820
  171    HG3  MET  24           HG1      MET  24  -9.465   4.099  -3.689
  172    HE1  MET  24           HE1      MET  24  -7.907   6.395   0.004
  173    HE2  MET  24           HE2      MET  24  -7.508   6.869  -1.649
  174    HE3  MET  24           HE3      MET  24  -6.909   5.340  -1.000
  175    H    GLU  25           HN       GLU  25  -7.046   0.259  -3.467
  176    HA   GLU  25           HA       GLU  25  -9.221  -0.357  -5.071
  177    HB2  GLU  25           HB2      GLU  25  -7.531  -2.282  -3.476
  178    HB3  GLU  25           HB1      GLU  25  -8.542  -2.704  -4.849
  179    HG2  GLU  25           HG2      GLU  25  -7.147  -1.486  -6.341
  180    HG3  GLU  25           HG1      GLU  25  -6.223  -0.803  -5.001
  181    H    PHE  26           HN       PHE  26  -8.880  -0.590  -1.617
  182    HA   PHE  26           HA       PHE  26 -11.244  -2.325  -1.489
  183    HD1  PHE  26           HD2      PHE  26 -10.339  -4.304  -2.048
  184    HD2  PHE  26           HD1      PHE  26  -7.004  -2.834   0.150
  185    HE1  PHE  26           HE2      PHE  26  -8.839  -5.667  -3.429
  186    HE2  PHE  26           HE1      PHE  26  -5.495  -4.199  -1.234
  187    HZ   PHE  26           HZ       PHE  26  -6.411  -5.628  -3.020
  188    HB2  PHE  26           HB2      PHE  26  -9.108  -2.010   0.620
  189    HB3  PHE  26           HB1      PHE  26 -10.350  -3.261   0.519
  190    H    ILE  27           HN       ILE  27 -11.820   0.265  -1.811
  191    HA   ILE  27           HA       ILE  27 -12.650   1.225   0.809
  192    HB   ILE  27           HB       ILE  27 -13.983   2.904  -0.726
  193   HG12  ILE  27          HG12      ILE  27 -12.664   3.453  -2.775
  194   HG13  ILE  27          HG11      ILE  27 -11.784   1.946  -2.574
  195   HG21  ILE  27          HG21      ILE  27 -12.259   3.542   0.825
  196   HG22  ILE  27          HG22      ILE  27 -12.025   4.395  -0.700
  197   HG23  ILE  27          HG23      ILE  27 -11.005   3.013  -0.296
  198   HD11  ILE  27          HD11      ILE  27 -13.520   1.746  -4.252
  199   HD12  ILE  27          HD12      ILE  27 -14.738   2.226  -3.071
  200   HD13  ILE  27          HD13      ILE  27 -13.869   0.705  -2.870
  201    H    GLU  28           HN       GLU  28 -13.552  -1.110  -1.219
  202    HA   GLU  28           HA       GLU  28 -16.332  -1.059  -0.264
  203    HB2  GLU  28           HB2      GLU  28 -15.282  -2.300  -2.814
  204    HB3  GLU  28           HB1      GLU  28 -16.942  -2.389  -2.243
  205    HG2  GLU  28           HG2      GLU  28 -17.169   0.017  -2.475
  206    HG3  GLU  28           HG1      GLU  28 -15.489   0.135  -2.995
  Start of MODEL    4
    1    HA   SER   1           HA       SER   1   8.259   1.709   9.383
    2    HG   SER   1           HG       SER   1  10.812  -1.314   8.785
    3    H1   SER   1           HT1      SER   1   7.878  -0.764   7.813
    4    H2   SER   1           HT2      SER   1   6.660   0.330   8.258
    5    H3   SER   1           HT3      SER   1   7.491  -0.549   9.448
    6    HB2  SER   1           HB2      SER   1  10.706   1.175   8.962
    7    HB3  SER   1           HB1      SER   1   9.878   0.103  10.093
    8    H    SER   2           HN       SER   2  10.130   0.467   6.685
    9    HA   SER   2           HA       SER   2   9.414   2.884   5.177
   10    HG   SER   2           HG       SER   2  12.918   0.854   4.802
   11    HB2  SER   2           HB2      SER   2  11.564   2.332   3.919
   12    HB3  SER   2           HB1      SER   2  11.753   2.820   5.604
   13    H    ASP   3           HN       ASP   3   9.081  -0.510   5.194
   14    HA   ASP   3           HA       ASP   3   8.450  -0.573   2.340
   15    HB2  ASP   3           HB2      ASP   3   8.698  -2.824   4.347
   16    HB3  ASP   3           HB1      ASP   3   8.258  -3.037   2.658
   17    H    PHE   4           HN       PHE   4   6.490   0.344   2.121
   18    HA   PHE   4           HA       PHE   4   4.373  -0.271   4.023
   19    HD1  PHE   4           HD2      PHE   4   3.458   2.242   5.118
   20    HD2  PHE   4           HD1      PHE   4   6.336   2.831   2.036
   21    HE1  PHE   4           HE2      PHE   4   4.549   3.983   6.473
   22    HE2  PHE   4           HE1      PHE   4   7.429   4.572   3.386
   23    HZ   PHE   4           HZ       PHE   4   6.536   5.149   5.607
   24    HB2  PHE   4           HB2      PHE   4   4.379   1.567   1.615
   25    HB3  PHE   4           HB1      PHE   4   3.090   1.439   2.806
   26    H    CYS   5           HN       CYS   5   3.579  -2.261   3.679
   27    HA   CYS   5           HA       CYS   5   3.232  -3.218   0.943
   28    HG   CYS   5           HG       CYS   5   5.351  -4.333   4.051
   29    HB2  CYS   5           HB2      CYS   5   2.806  -4.711   3.536
   30    HB3  CYS   5           HB1      CYS   5   2.968  -5.402   1.926
   31    H    CYS   6           HN       CYS   6   1.281  -3.844   0.080
   32    HA   CYS   6           HA       CYS   6  -1.135  -2.817   1.298
   33    HB2  CYS   6           HB2      CYS   6  -0.807  -2.799  -1.179
   34    HB3  CYS   6           HB1      CYS   6  -0.802  -4.558  -1.167
   35    HA   PRO   7           HA       PRO   7  -1.478  -6.465   3.828
   36    HB2  PRO   7           HB2      PRO   7  -4.265  -5.528   4.212
   37    HB3  PRO   7           HB1      PRO   7  -3.013  -5.863   5.413
   38    HG2  PRO   7           HG2      PRO   7  -3.706  -3.359   4.833
   39    HG3  PRO   7           HG1      PRO   7  -2.012  -3.789   5.138
   40    HD2  PRO   7           HD2      PRO   7  -3.409  -3.314   2.526
   41    HD3  PRO   7           HD1      PRO   7  -1.792  -2.788   3.051
   42    H    LYS   8           HN       LYS   8  -3.624  -5.679   1.213
   43    HA   LYS   8           HA       LYS   8  -4.760  -8.377   1.211
   44    HB2  LYS   8           HB2      LYS   8  -5.432  -6.027  -0.566
   45    HB3  LYS   8           HB1      LYS   8  -6.318  -7.542  -0.457
   46    HG2  LYS   8           HG2      LYS   8  -6.839  -7.033   1.898
   47    HG3  LYS   8           HG1      LYS   8  -6.030  -5.477   1.711
   48    HD2  LYS   8           HD2      LYS   8  -7.624  -4.901  -0.086
   49    HD3  LYS   8           HD1      LYS   8  -8.458  -6.432   0.195
   50    HE2  LYS   8           HE2      LYS   8  -8.133  -4.168   2.160
   51    HE3  LYS   8           HE1      LYS   8  -9.615  -4.632   1.328
   52    HZ1  LYS   8           HZ1      LYS   8  -8.134  -6.309   3.283
   53    HZ2  LYS   8           HZ2      LYS   8  -9.556  -6.753   2.482
   54    HZ3  LYS   8           HZ3      LYS   8  -9.574  -5.467   3.587
   55    H    CYS   9           HN       CYS   9  -1.998  -7.171   0.221
   56    HA   CYS   9           HA       CYS   9  -1.874  -8.857  -2.173
   57    HB2  CYS   9           HB2      CYS   9  -0.783  -6.032  -2.018
   58    HB3  CYS   9           HB1      CYS   9  -0.519  -7.150  -3.348
   59    H    GLN  10           HN       GLN  10   0.590  -8.904  -2.868
   60    HA   GLN  10           HA       GLN  10   2.252  -9.073  -0.435
   61    HB2  GLN  10           HB2      GLN  10   2.731 -10.325  -3.154
   62    HB3  GLN  10           HB1      GLN  10   3.724 -10.551  -1.718
   63    HG2  GLN  10           HG2      GLN  10   1.822 -11.615  -0.588
   64    HG3  GLN  10           HG1      GLN  10   0.863 -11.429  -2.056
   65   HE21  GLN  10          HE21      GLN  10   1.365 -12.686  -3.870
   66   HE22  GLN  10          HE22      GLN  10   2.324 -14.122  -3.733
   67    H    TYR  11           HN       TYR  11   1.392  -6.957  -2.509
   68    HA   TYR  11           HA       TYR  11   3.780  -6.029  -3.757
   69    HD1  TYR  11           HD1      TYR  11   3.279  -4.803  -6.299
   70    HD2  TYR  11           HD2      TYR  11   1.683  -2.394  -3.173
   71    HE1  TYR  11           HE1      TYR  11   4.069  -2.785  -7.455
   72    HE2  TYR  11           HE2      TYR  11   2.478  -0.372  -4.322
   73    HH   TYR  11           HH       TYR  11   4.263   0.222  -5.993
   74    HB2  TYR  11           HB2      TYR  11   1.549  -5.654  -4.716
   75    HB3  TYR  11           HB1      TYR  11   1.101  -4.689  -3.314
   76    H    GLN  12           HN       GLN  12   5.316  -4.836  -2.908
   77    HA   GLN  12           HA       GLN  12   4.783  -3.410  -0.387
   78    HB2  GLN  12           HB2      GLN  12   7.456  -4.246  -1.524
   79    HB3  GLN  12           HB1      GLN  12   7.158  -3.576   0.073
   80    HG2  GLN  12           HG2      GLN  12   5.858  -5.570   0.657
   81    HG3  GLN  12           HG1      GLN  12   6.192  -6.245  -0.937
   82   HE21  GLN  12          HE21      GLN  12   7.254  -8.031  -0.130
   83   HE22  GLN  12          HE22      GLN  12   8.821  -7.929   0.596
   84    H    ALA  13           HN       ALA  13   4.766  -1.255  -0.458
   85    HA   ALA  13           HA       ALA  13   5.847   0.067  -2.853
   86    HB1  ALA  13           HB1      ALA  13   4.334   1.910  -2.334
   87    HB2  ALA  13           HB2      ALA  13   3.803   1.078  -0.874
   88    HB3  ALA  13           HB3      ALA  13   3.447   0.390  -2.457
   89    HA   PRO  14           HA       PRO  14   8.880   1.933  -0.201
   90    HB2  PRO  14           HB2      PRO  14  10.049   3.538  -1.990
   91    HB3  PRO  14           HB1      PRO  14  10.169   1.779  -2.130
   92    HG2  PRO  14           HG2      PRO  14   8.421   3.684  -3.623
   93    HG3  PRO  14           HG1      PRO  14   9.278   2.252  -4.217
   94    HD2  PRO  14           HD2      PRO  14   6.590   2.338  -3.538
   95    HD3  PRO  14           HD1      PRO  14   7.568   0.862  -3.641
   96    H    ASP  15           HN       ASP  15   6.055   3.277  -0.842
   97    HA   ASP  15           HA       ASP  15   6.687   5.718   0.585
   98    HB2  ASP  15           HB2      ASP  15   6.931   6.347  -1.792
   99    HB3  ASP  15           HB1      ASP  15   5.283   5.808  -2.086
  100    H    MET  16           HN       MET  16   4.939   6.590   1.664
  101    HA   MET  16           HA       MET  16   2.941   4.636   2.336
  102    HB2  MET  16           HB2      MET  16   4.029   6.024   4.055
  103    HB3  MET  16           HB1      MET  16   3.315   7.461   3.339
  104    HG2  MET  16           HG2      MET  16   1.086   6.620   3.859
  105    HG3  MET  16           HG1      MET  16   1.796   5.173   4.572
  106    HE1  MET  16           HE1      MET  16   0.372   5.619   6.780
  107    HE2  MET  16           HE2      MET  16  -0.306   7.091   6.085
  108    HE3  MET  16           HE3      MET  16   0.422   7.128   7.690
  109    H    ASP  17           HN       ASP  17   3.033   7.689   0.594
  110    HA   ASP  17           HA       ASP  17   0.167   7.957   0.484
  111    HB2  ASP  17           HB2      ASP  17   1.756   9.903   0.401
  112    HB3  ASP  17           HB1      ASP  17   2.237   9.372  -1.208
  113    H    THR  18           HN       THR  18   2.757   6.869  -1.630
  114    HA   THR  18           HA       THR  18   1.232   6.271  -3.899
  115    HB   THR  18           HB       THR  18   3.645   4.780  -2.849
  116    HG1  THR  18           HG1      THR  18   3.380   7.287  -3.723
  117   HG21  THR  18          HG21      THR  18   2.442   3.559  -4.619
  118   HG22  THR  18          HG22      THR  18   4.011   4.135  -5.181
  119   HG23  THR  18          HG23      THR  18   2.541   4.981  -5.659
  120    H    LEU  19           HN       LEU  19   1.869   4.373  -0.964
  121    HA   LEU  19           HA       LEU  19   0.472   2.056  -1.766
  122    HG   LEU  19           HG       LEU  19  -0.845   1.363   0.914
  123    HB2  LEU  19           HB2      LEU  19   1.994   2.069   0.163
  124    HB3  LEU  19           HB1      LEU  19   0.908   3.149   1.018
  125   HD11  LEU  19          HD11      LEU  19   1.450  -0.352  -0.019
  126   HD12  LEU  19          HD12      LEU  19   0.068   0.138  -0.997
  127   HD13  LEU  19          HD13      LEU  19  -0.170  -0.906   0.403
  128   HD21  LEU  19          HD21      LEU  19   0.071   0.072   2.733
  129   HD22  LEU  19          HD22      LEU  19   0.555   1.759   2.905
  130   HD23  LEU  19          HD23      LEU  19   1.708   0.566   2.307
  131    H    GLN  20           HN       GLN  20  -0.532   4.975  -0.040
  132    HA   GLN  20           HA       GLN  20  -3.169   4.313   0.520
  133    HB2  GLN  20           HB2      GLN  20  -2.110   6.362   1.348
  134    HB3  GLN  20           HB1      GLN  20  -2.054   7.008  -0.287
  135    HG2  GLN  20           HG2      GLN  20  -4.537   6.924  -0.342
  136    HG3  GLN  20           HG1      GLN  20  -4.515   6.440   1.352
  137   HE21  GLN  20          HE21      GLN  20  -2.222   8.143   1.961
  138   HE22  GLN  20          HE22      GLN  20  -2.814   9.769   1.992
  139    H    ILE  21           HN       ILE  21  -1.797   5.711  -2.434
  140    HA   ILE  21           HA       ILE  21  -4.250   5.906  -3.840
  141    HB   ILE  21           HB       ILE  21  -1.448   5.667  -4.949
  142   HG12  ILE  21          HG12      ILE  21  -3.124   8.131  -4.420
  143   HG13  ILE  21          HG11      ILE  21  -1.806   7.582  -3.393
  144   HG21  ILE  21          HG21      ILE  21  -3.127   5.155  -6.632
  145   HG22  ILE  21          HG22      ILE  21  -2.381   6.719  -6.962
  146   HG23  ILE  21          HG23      ILE  21  -3.990   6.645  -6.245
  147   HD11  ILE  21          HD11      ILE  21  -1.560   8.444  -6.263
  148   HD12  ILE  21          HD12      ILE  21  -0.238   7.911  -5.224
  149   HD13  ILE  21          HD13      ILE  21  -1.113   9.396  -4.848
  150    H    HIS  22           HN       HIS  22  -1.737   3.417  -3.706
  151    HA   HIS  22           HA       HIS  22  -2.755   1.650  -5.601
  152    HD1  HIS  22           HD1      HIS  22  -0.902  -0.821  -6.266
  153    HD2  HIS  22           HD2      HIS  22  -2.208  -1.346  -2.348
  154    HE1  HIS  22           HE1      HIS  22  -1.238  -3.312  -5.956
  155    HB2  HIS  22           HB2      HIS  22  -0.568   1.272  -4.689
  156    HB3  HIS  22           HB1      HIS  22  -1.208   1.140  -3.055
  157    H    VAL  23           HN       VAL  23  -3.417   1.821  -2.112
  158    HA   VAL  23           HA       VAL  23  -5.273  -0.357  -2.209
  159    HB   VAL  23           HB       VAL  23  -4.959   1.690  -0.007
  160   HG11  VAL  23          HG11      VAL  23  -6.059  -1.114  -0.002
  161   HG12  VAL  23          HG12      VAL  23  -6.998   0.372   0.146
  162   HG13  VAL  23          HG13      VAL  23  -5.865  -0.084   1.418
  163   HG21  VAL  23          HG21      VAL  23  -2.810   0.637  -0.506
  164   HG22  VAL  23          HG22      VAL  23  -3.553  -0.956  -0.360
  165   HG23  VAL  23          HG23      VAL  23  -3.436   0.097   1.050
  166    H    MET  24           HN       MET  24  -5.533   3.161  -2.073
  167    HA   MET  24           HA       MET  24  -7.215   4.602  -2.493
  168    HB2  MET  24           HB2      MET  24  -7.374   3.474  -4.651
  169    HB3  MET  24           HB1      MET  24  -8.450   2.267  -3.961
  170    HG2  MET  24           HG2      MET  24 -10.110   4.020  -3.518
  171    HG3  MET  24           HG1      MET  24  -9.032   5.208  -4.250
  172    HE1  MET  24           HE1      MET  24  -8.429   5.278  -6.834
  173    HE2  MET  24           HE2      MET  24  -8.906   4.021  -7.975
  174    HE3  MET  24           HE3      MET  24  -7.782   3.646  -6.669
  175    H    GLU  25           HN       GLU  25  -9.396   1.790  -2.338
  176    HA   GLU  25           HA       GLU  25 -10.276   2.420   0.304
  177    HB2  GLU  25           HB2      GLU  25 -11.207   4.306  -1.005
  178    HB3  GLU  25           HB1      GLU  25 -12.107   3.158  -1.977
  179    HG2  GLU  25           HG2      GLU  25 -13.327   2.417  -0.006
  180    HG3  GLU  25           HG1      GLU  25 -12.418   3.551   0.990
  181    H    PHE  26           HN       PHE  26 -10.728   0.493   1.073
  182    HA   PHE  26           HA       PHE  26 -12.523  -1.242  -0.476
  183    HD1  PHE  26           HD1      PHE  26  -9.218  -0.563  -1.164
  184    HD2  PHE  26           HD2      PHE  26 -11.143  -4.338  -1.466
  185    HE1  PHE  26           HE1      PHE  26  -8.308  -0.843  -3.433
  186    HE2  PHE  26           HE2      PHE  26 -10.237  -4.640  -3.707
  187    HZ   PHE  26           HZ       PHE  26  -8.883  -2.759  -4.757
  188    HB2  PHE  26           HB2      PHE  26  -9.962  -2.068   0.891
  189    HB3  PHE  26           HB1      PHE  26 -11.240  -3.223   0.519
  190    H    ILE  27           HN       ILE  27 -12.142   0.569   2.137
  191    HA   ILE  27           HA       ILE  27 -13.340   0.860   4.033
  192    HB   ILE  27           HB       ILE  27 -14.851  -1.629   3.226
  193   HG12  ILE  27          HG12      ILE  27 -15.572   1.293   2.890
  194   HG13  ILE  27          HG11      ILE  27 -15.008   0.242   1.595
  195   HG21  ILE  27          HG21      ILE  27 -15.053  -1.193   5.612
  196   HG22  ILE  27          HG22      ILE  27 -16.573  -0.843   4.790
  197   HG23  ILE  27          HG23      ILE  27 -15.513   0.477   5.282
  198   HD11  ILE  27          HD11      ILE  27 -17.408   0.507   1.511
  199   HD12  ILE  27          HD12      ILE  27 -17.553  -0.079   3.168
  200   HD13  ILE  27          HD13      ILE  27 -16.992  -1.163   1.894
  201    H    GLU  28           HN       GLU  28 -13.107  -2.693   3.773
  202    HA   GLU  28           HA       GLU  28 -12.162  -2.768   6.525
  203    HB2  GLU  28           HB2      GLU  28 -12.388  -5.284   6.182
  204    HB3  GLU  28           HB1      GLU  28 -13.871  -4.340   6.157
  205    HG2  GLU  28           HG2      GLU  28 -13.988  -4.470   3.773
  206    HG3  GLU  28           HG1      GLU  28 -12.394  -5.219   3.689
  Start of MODEL    5
    1    HA   SER   1           HA       SER   1   8.066  -1.210   7.660
    2    HG   SER   1           HG       SER   1   9.183  -2.423   9.690
    3    H1   SER   1           HT1      SER   1  10.081  -2.405   7.174
    4    H2   SER   1           HT2      SER   1  10.886  -0.965   6.787
    5    H3   SER   1           HT3      SER   1   9.602  -1.502   5.821
    6    HB2  SER   1           HB2      SER   1  10.399   0.075   9.088
    7    HB3  SER   1           HB1      SER   1   8.780  -0.218   9.727
    8    H    SER   2           HN       SER   2  10.667   0.818   6.410
    9    HA   SER   2           HA       SER   2   9.035   3.187   6.320
   10    HG   SER   2           HG       SER   2  11.836   4.289   6.850
   11    HB2  SER   2           HB2      SER   2  11.590   2.523   4.822
   12    HB3  SER   2           HB1      SER   2  10.877   4.127   4.999
   13    H    ASP   3           HN       ASP   3   9.552   0.386   4.454
   14    HA   ASP   3           HA       ASP   3   8.031   1.345   2.181
   15    HB2  ASP   3           HB2      ASP   3   8.289  -0.965   1.351
   16    HB3  ASP   3           HB1      ASP   3   9.844  -0.275   1.803
   17    H    PHE   4           HN       PHE   4   5.915   0.770   1.764
   18    HA   PHE   4           HA       PHE   4   4.476  -0.414   4.049
   19    HD1  PHE   4           HD1      PHE   4   5.400   3.225   2.731
   20    HD2  PHE   4           HD2      PHE   4   2.767   1.611   5.663
   21    HE1  PHE   4           HE1      PHE   4   6.155   4.923   4.342
   22    HE2  PHE   4           HE2      PHE   4   3.519   3.308   7.276
   23    HZ   PHE   4           HZ       PHE   4   5.214   4.968   6.618
   24    HB2  PHE   4           HB2      PHE   4   3.554   1.732   2.124
   25    HB3  PHE   4           HB1      PHE   4   2.549   1.000   3.368
   26    H    CYS   5           HN       CYS   5   3.667  -2.347   3.585
   27    HA   CYS   5           HA       CYS   5   3.250  -3.061   0.791
   28    HG   CYS   5           HG       CYS   5   2.000  -5.334   4.142
   29    HB2  CYS   5           HB2      CYS   5   3.064  -5.382   1.655
   30    HB3  CYS   5           HB1      CYS   5   4.595  -4.612   2.056
   31    H    CYS   6           HN       CYS   6   1.311  -3.871  -0.012
   32    HA   CYS   6           HA       CYS   6  -1.070  -2.963   1.343
   33    HB2  CYS   6           HB2      CYS   6  -0.853  -2.831  -1.130
   34    HB3  CYS   6           HB1      CYS   6  -0.792  -4.587  -1.204
   35    HA   PRO   7           HA       PRO   7  -1.185  -6.716   3.767
   36    HB2  PRO   7           HB2      PRO   7  -3.922  -5.742   4.379
   37    HB3  PRO   7           HB1      PRO   7  -2.606  -6.170   5.480
   38    HG2  PRO   7           HG2      PRO   7  -3.253  -3.621   5.080
   39    HG3  PRO   7           HG1      PRO   7  -1.554  -4.107   5.228
   40    HD2  PRO   7           HD2      PRO   7  -3.133  -3.456   2.766
   41    HD3  PRO   7           HD1      PRO   7  -1.465  -3.010   3.186
   42    H    LYS   8           HN       LYS   8  -3.568  -5.765   1.425
   43    HA   LYS   8           HA       LYS   8  -4.789  -8.422   1.415
   44    HB2  LYS   8           HB2      LYS   8  -5.608  -6.027  -0.228
   45    HB3  LYS   8           HB1      LYS   8  -6.573  -7.447   0.166
   46    HG2  LYS   8           HG2      LYS   8  -6.536  -6.779   2.538
   47    HG3  LYS   8           HG1      LYS   8  -5.644  -5.328   2.094
   48    HD2  LYS   8           HD2      LYS   8  -7.905  -4.678   2.308
   49    HD3  LYS   8           HD1      LYS   8  -7.580  -4.754   0.576
   50    HE2  LYS   8           HE2      LYS   8  -8.707  -6.833   0.374
   51    HE3  LYS   8           HE1      LYS   8  -8.797  -7.025   2.124
   52    HZ1  LYS   8           HZ1      LYS   8 -10.250  -5.065   2.192
   53    HZ2  LYS   8           HZ2      LYS   8 -10.913  -6.329   1.280
   54    HZ3  LYS   8           HZ3      LYS   8 -10.224  -4.998   0.500
   55    H    CYS   9           HN       CYS   9  -2.123  -7.281   0.230
   56    HA   CYS   9           HA       CYS   9  -2.228  -8.931  -2.185
   57    HB2  CYS   9           HB2      CYS   9  -1.077  -6.128  -2.101
   58    HB3  CYS   9           HB1      CYS   9  -0.908  -7.251  -3.443
   59    H    GLN  10           HN       GLN  10   0.289  -8.768  -3.062
   60    HA   GLN  10           HA       GLN  10   2.007  -9.189  -0.699
   61    HB2  GLN  10           HB2      GLN  10   2.455 -10.124  -3.544
   62    HB3  GLN  10           HB1      GLN  10   3.459 -10.504  -2.152
   63    HG2  GLN  10           HG2      GLN  10   1.558 -11.701  -1.143
   64    HG3  GLN  10           HG1      GLN  10   0.613 -11.375  -2.597
   65   HE21  GLN  10          HE21      GLN  10   1.358 -13.932  -1.458
   66   HE22  GLN  10          HE22      GLN  10   2.280 -14.762  -2.670
   67    H    TYR  11           HN       TYR  11   1.131  -6.897  -2.698
   68    HA   TYR  11           HA       TYR  11   3.583  -5.943  -3.815
   69    HD1  TYR  11           HD1      TYR  11   3.219  -4.780  -6.381
   70    HD2  TYR  11           HD2      TYR  11   1.480  -2.311  -3.385
   71    HE1  TYR  11           HE1      TYR  11   4.093  -2.791  -7.522
   72    HE2  TYR  11           HE2      TYR  11   2.354  -0.314  -4.515
   73    HH   TYR  11           HH       TYR  11   4.205   0.268  -6.110
   74    HB2  TYR  11           HB2      TYR  11   1.391  -5.588  -4.888
   75    HB3  TYR  11           HB1      TYR  11   0.889  -4.599  -3.520
   76    H    GLN  12           HN       GLN  12   5.017  -4.590  -2.939
   77    HA   GLN  12           HA       GLN  12   4.191  -3.051  -0.572
   78    HB2  GLN  12           HB2      GLN  12   6.596  -3.042   0.077
   79    HB3  GLN  12           HB1      GLN  12   5.863  -4.637   0.077
   80    HG2  GLN  12           HG2      GLN  12   7.845  -5.107  -0.933
   81    HG3  GLN  12           HG1      GLN  12   6.862  -4.744  -2.349
   82   HE21  GLN  12          HE21      GLN  12   8.046  -2.331  -0.112
   83   HE22  GLN  12          HE22      GLN  12   9.156  -1.578  -1.209
   84    H    ALA  13           HN       ALA  13   4.551  -0.897  -0.499
   85    HA   ALA  13           HA       ALA  13   5.577   0.341  -2.968
   86    HB1  ALA  13           HB1      ALA  13   3.615   1.447  -0.956
   87    HB2  ALA  13           HB2      ALA  13   3.211   0.790  -2.542
   88    HB3  ALA  13           HB3      ALA  13   4.167   2.267  -2.417
   89    HA   PRO  14           HA       PRO  14   8.875   1.925  -0.567
   90    HB2  PRO  14           HB2      PRO  14   9.686   4.000  -2.089
   91    HB3  PRO  14           HB1      PRO  14   9.905   2.316  -2.576
   92    HG2  PRO  14           HG2      PRO  14   7.834   4.289  -3.445
   93    HG3  PRO  14           HG1      PRO  14   8.712   3.087  -4.409
   94    HD2  PRO  14           HD2      PRO  14   6.153   2.745  -3.500
   95    HD3  PRO  14           HD1      PRO  14   7.265   1.409  -3.852
   96    H    ASP  15           HN       ASP  15   6.085   3.897  -1.049
   97    HA   ASP  15           HA       ASP  15   6.840   5.443   1.305
   98    HB2  ASP  15           HB2      ASP  15   7.465   6.720  -0.833
   99    HB3  ASP  15           HB1      ASP  15   5.733   6.898  -1.086
  100    H    MET  16           HN       MET  16   4.987   6.737   2.132
  101    HA   MET  16           HA       MET  16   2.823   4.989   2.569
  102    HB2  MET  16           HB2      MET  16   3.642   6.637   4.222
  103    HB3  MET  16           HB1      MET  16   3.032   7.938   3.210
  104    HG2  MET  16           HG2      MET  16   0.751   7.044   3.485
  105    HG3  MET  16           HG1      MET  16   1.393   5.807   4.564
  106    HE1  MET  16           HE1      MET  16  -0.989   7.662   5.432
  107    HE2  MET  16           HE2      MET  16  -0.499   8.108   7.065
  108    HE3  MET  16           HE3      MET  16  -0.255   6.459   6.490
  109    H    ASP  17           HN       ASP  17   3.111   7.967   0.652
  110    HA   ASP  17           HA       ASP  17   0.372   8.201   0.013
  111    HB2  ASP  17           HB2      ASP  17   0.975   9.952  -1.373
  112    HB3  ASP  17           HB1      ASP  17   2.395   9.880  -0.337
  113    H    THR  18           HN       THR  18   2.998   6.397  -1.394
  114    HA   THR  18           HA       THR  18   1.777   5.854  -3.881
  115    HB   THR  18           HB       THR  18   3.825   4.080  -2.574
  116    HG1  THR  18           HG1      THR  18   4.029   6.739  -2.996
  117   HG21  THR  18          HG21      THR  18   3.406   4.968  -5.429
  118   HG22  THR  18          HG22      THR  18   2.932   3.405  -4.760
  119   HG23  THR  18          HG23      THR  18   4.638   3.842  -4.858
  120    H    LEU  19           HN       LEU  19   1.941   4.067  -0.815
  121    HA   LEU  19           HA       LEU  19   0.473   1.818  -1.768
  122    HG   LEU  19           HG       LEU  19  -1.018   1.154   0.804
  123    HB2  LEU  19           HB2      LEU  19   1.902   1.675   0.225
  124    HB3  LEU  19           HB1      LEU  19   0.850   2.804   1.064
  125   HD11  LEU  19          HD11      LEU  19  -0.462  -1.153   0.253
  126   HD12  LEU  19          HD12      LEU  19   1.201  -0.674  -0.103
  127   HD13  LEU  19          HD13      LEU  19  -0.124  -0.073  -1.099
  128   HD21  LEU  19          HD21      LEU  19   1.417   0.205   2.308
  129   HD22  LEU  19          HD22      LEU  19  -0.238  -0.339   2.582
  130   HD23  LEU  19          HD23      LEU  19   0.202   1.340   2.898
  131    H    GLN  20           HN       GLN  20  -0.347   4.840  -0.199
  132    HA   GLN  20           HA       GLN  20  -3.005   4.314   0.479
  133    HB2  GLN  20           HB2      GLN  20  -1.528   6.323   1.093
  134    HB3  GLN  20           HB1      GLN  20  -2.007   7.000  -0.456
  135    HG2  GLN  20           HG2      GLN  20  -3.394   7.915   1.263
  136    HG3  GLN  20           HG1      GLN  20  -4.369   6.850   0.251
  137   HE21  GLN  20          HE21      GLN  20  -2.867   7.283   3.352
  138   HE22  GLN  20          HE22      GLN  20  -3.731   6.025   4.174
  139    H    ILE  21           HN       ILE  21  -1.566   5.430  -2.543
  140    HA   ILE  21           HA       ILE  21  -4.094   5.754  -3.861
  141    HB   ILE  21           HB       ILE  21  -1.348   5.519  -5.109
  142   HG12  ILE  21          HG12      ILE  21  -2.914   7.978  -4.292
  143   HG13  ILE  21          HG11      ILE  21  -1.479   7.362  -3.480
  144   HG21  ILE  21          HG21      ILE  21  -2.383   6.720  -6.996
  145   HG22  ILE  21          HG22      ILE  21  -3.945   6.611  -6.184
  146   HG23  ILE  21          HG23      ILE  21  -3.124   5.144  -6.714
  147   HD11  ILE  21          HD11      ILE  21  -0.937   9.250  -4.888
  148   HD12  ILE  21          HD12      ILE  21  -1.609   8.425  -6.294
  149   HD13  ILE  21          HD13      ILE  21  -0.165   7.786  -5.499
  150    H    HIS  22           HN       HIS  22  -1.660   3.207  -3.630
  151    HA   HIS  22           HA       HIS  22  -2.706   1.508  -5.620
  152    HD1  HIS  22           HD1      HIS  22  -0.969  -1.137  -6.313
  153    HD2  HIS  22           HD2      HIS  22  -2.078  -1.413  -2.308
  154    HE1  HIS  22           HE1      HIS  22  -1.423  -3.586  -5.866
  155    HB2  HIS  22           HB2      HIS  22  -0.504   1.031  -4.873
  156    HB3  HIS  22           HB1      HIS  22  -0.999   0.983  -3.187
  157    H    VAL  23           HN       VAL  23  -3.184   1.504  -2.081
  158    HA   VAL  23           HA       VAL  23  -5.061  -0.636  -2.171
  159    HB   VAL  23           HB       VAL  23  -3.614  -0.087  -0.206
  160   HG11  VAL  23          HG11      VAL  23  -5.545   2.193   0.153
  161   HG12  VAL  23          HG12      VAL  23  -3.816   2.308  -0.178
  162   HG13  VAL  23          HG13      VAL  23  -4.378   1.649   1.359
  163   HG21  VAL  23          HG21      VAL  23  -6.573  -0.212   0.325
  164   HG22  VAL  23          HG22      VAL  23  -5.304  -0.587   1.491
  165   HG23  VAL  23          HG23      VAL  23  -5.493  -1.576   0.046
  166    H    MET  24           HN       MET  24  -5.217   2.714  -2.667
  167    HA   MET  24           HA       MET  24  -6.843   4.120  -3.317
  168    HB2  MET  24           HB2      MET  24  -8.537   1.629  -3.571
  169    HB3  MET  24           HB1      MET  24  -8.980   3.218  -4.174
  170    HG2  MET  24           HG2      MET  24  -7.002   3.179  -5.641
  171    HG3  MET  24           HG1      MET  24  -6.648   1.546  -5.078
  172    HE1  MET  24           HE1      MET  24  -6.632   0.488  -7.443
  173    HE2  MET  24           HE2      MET  24  -6.840   2.102  -8.121
  174    HE3  MET  24           HE3      MET  24  -7.871   0.780  -8.664
  175    H    GLU  25           HN       GLU  25  -9.103   1.867  -1.726
  176    HA   GLU  25           HA       GLU  25  -9.219   3.344   0.691
  177    HB2  GLU  25           HB2      GLU  25 -10.688   4.425  -1.497
  178    HB3  GLU  25           HB1      GLU  25 -11.826   3.828  -0.294
  179    HG2  GLU  25           HG2      GLU  25  -9.695   5.909   0.024
  180    HG3  GLU  25           HG1      GLU  25 -11.435   6.063   0.282
  181    H    PHE  26           HN       PHE  26  -9.971   2.071   2.191
  182    HA   PHE  26           HA       PHE  26 -12.387   0.500   1.753
  183    HD1  PHE  26           HD1      PHE  26  -8.606  -0.420   0.800
  184    HD2  PHE  26           HD2      PHE  26 -12.310  -2.496   0.940
  185    HE1  PHE  26           HE1      PHE  26  -8.127  -1.409  -1.400
  186    HE2  PHE  26           HE2      PHE  26 -11.841  -3.501  -1.239
  187    HZ   PHE  26           HZ       PHE  26  -9.735  -2.916  -2.442
  188    HB2  PHE  26           HB2      PHE  26  -9.841  -0.698   2.878
  189    HB3  PHE  26           HB1      PHE  26 -11.415  -1.481   2.892
  190    H    ILE  27           HN       ILE  27 -10.973   2.832   3.371
  191    HA   ILE  27           HA       ILE  27 -10.621   3.561   5.492
  192    HB   ILE  27           HB       ILE  27 -13.176   2.052   6.085
  193   HG12  ILE  27          HG12      ILE  27 -12.782   4.902   5.137
  194   HG13  ILE  27          HG11      ILE  27 -13.400   3.579   4.155
  195   HG21  ILE  27          HG21      ILE  27 -11.895   4.414   7.464
  196   HG22  ILE  27          HG22      ILE  27 -12.007   2.770   8.095
  197   HG23  ILE  27          HG23      ILE  27 -13.472   3.725   7.859
  198   HD11  ILE  27          HD11      ILE  27 -14.713   4.737   6.601
  199   HD12  ILE  27          HD12      ILE  27 -15.331   3.392   5.643
  200   HD13  ILE  27          HD13      ILE  27 -15.200   4.997   4.927
  201    H    GLU  28           HN       GLU  28  -8.726   2.298   5.735
  202    HA   GLU  28           HA       GLU  28  -9.027  -0.219   7.208
  203    HB2  GLU  28           HB2      GLU  28  -6.710   0.922   5.645
  204    HB3  GLU  28           HB1      GLU  28  -6.602  -0.542   6.611
  205    HG2  GLU  28           HG2      GLU  28  -8.483  -0.138   4.295
  206    HG3  GLU  28           HG1      GLU  28  -6.936  -0.980   4.211
  Start of MODEL    6
    1    HA   SER   1           HA       SER   1   9.263  -0.683   8.196
    2    HG   SER   1           HG       SER   1  10.914  -0.710  10.408
    3    H1   SER   1           HT1      SER   1  11.374  -1.754   7.875
    4    H2   SER   1           HT2      SER   1  11.882  -0.532   6.823
    5    H3   SER   1           HT3      SER   1  10.597  -1.550   6.382
    6    HB2  SER   1           HB2      SER   1  11.448   1.366   8.561
    7    HB3  SER   1           HB1      SER   1  10.022   1.111   9.568
    8    H    SER   2           HN       SER   2  11.357   0.968   5.857
    9    HA   SER   2           HA       SER   2   9.309   2.920   5.214
   10    HG   SER   2           HG       SER   2  11.803   3.180   6.156
   11    HB2  SER   2           HB2      SER   2  11.943   2.316   3.843
   12    HB3  SER   2           HB1      SER   2  10.920   3.723   3.541
   13    H    ASP   3           HN       ASP   3   9.118  -0.103   4.843
   14    HA   ASP   3           HA       ASP   3   8.258  -0.102   2.041
   15    HB2  ASP   3           HB2      ASP   3   8.257  -2.634   2.353
   16    HB3  ASP   3           HB1      ASP   3   9.830  -1.849   2.330
   17    H    PHE   4           HN       PHE   4   6.224   0.504   1.981
   18    HA   PHE   4           HA       PHE   4   4.353  -0.376   4.053
   19    HD1  PHE   4           HD1      PHE   4   6.053   2.843   2.711
   20    HD2  PHE   4           HD2      PHE   4   2.608   2.047   5.069
   21    HE1  PHE   4           HE1      PHE   4   6.782   4.540   4.335
   22    HE2  PHE   4           HE2      PHE   4   3.327   3.740   6.703
   23    HZ   PHE   4           HZ       PHE   4   5.417   4.989   6.338
   24    HB2  PHE   4           HB2      PHE   4   4.105   1.643   1.808
   25    HB3  PHE   4           HB1      PHE   4   2.777   1.193   2.867
   26    H    CYS   5           HN       CYS   5   3.916  -2.496   3.570
   27    HA   CYS   5           HA       CYS   5   3.330  -3.228   0.817
   28    HG   CYS   5           HG       CYS   5   4.490  -4.788   4.706
   29    HB2  CYS   5           HB2      CYS   5   3.255  -5.539   1.678
   30    HB3  CYS   5           HB1      CYS   5   4.761  -4.732   2.105
   31    H    CYS   6           HN       CYS   6   1.351  -3.842   0.059
   32    HA   CYS   6           HA       CYS   6  -0.969  -3.122   1.596
   33    HB2  CYS   6           HB2      CYS   6  -0.924  -2.851  -0.865
   34    HB3  CYS   6           HB1      CYS   6  -0.781  -4.596  -1.046
   35    HA   PRO   7           HA       PRO   7  -0.893  -6.962   3.816
   36    HB2  PRO   7           HB2      PRO   7  -3.640  -6.208   4.600
   37    HB3  PRO   7           HB1      PRO   7  -2.224  -6.516   5.609
   38    HG2  PRO   7           HG2      PRO   7  -3.183  -4.035   5.246
   39    HG3  PRO   7           HG1      PRO   7  -1.448  -4.353   5.418
   40    HD2  PRO   7           HD2      PRO   7  -3.038  -3.772   2.953
   41    HD3  PRO   7           HD1      PRO   7  -1.396  -3.252   3.390
   42    H    LYS   8           HN       LYS   8  -3.443  -5.987   1.656
   43    HA   LYS   8           HA       LYS   8  -4.531  -8.699   1.558
   44    HB2  LYS   8           HB2      LYS   8  -5.571  -6.120   0.374
   45    HB3  LYS   8           HB1      LYS   8  -6.417  -7.665   0.377
   46    HG2  LYS   8           HG2      LYS   8  -6.539  -7.642   2.785
   47    HG3  LYS   8           HG1      LYS   8  -5.573  -6.168   2.849
   48    HD2  LYS   8           HD2      LYS   8  -7.342  -4.936   1.723
   49    HD3  LYS   8           HD1      LYS   8  -8.306  -6.413   1.591
   50    HE2  LYS   8           HE2      LYS   8  -8.452  -6.579   3.993
   51    HE3  LYS   8           HE1      LYS   8  -7.370  -5.204   4.192
   52    HZ1  LYS   8           HZ1      LYS   8  -9.715  -4.638   4.519
   53    HZ2  LYS   8           HZ2      LYS   8 -10.058  -5.072   2.918
   54    HZ3  LYS   8           HZ3      LYS   8  -9.027  -3.764   3.246
   55    H    CYS   9           HN       CYS   9  -2.026  -7.400   0.200
   56    HA   CYS   9           HA       CYS   9  -2.354  -8.885  -2.290
   57    HB2  CYS   9           HB2      CYS   9  -1.375  -6.025  -2.191
   58    HB3  CYS   9           HB1      CYS   9  -1.318  -7.062  -3.611
   59    H    GLN  10           HN       GLN  10  -0.033  -8.717  -3.485
   60    HA   GLN  10           HA       GLN  10   2.006  -9.211  -1.428
   61    HB2  GLN  10           HB2      GLN  10   1.801  -9.989  -4.332
   62    HB3  GLN  10           HB1      GLN  10   3.316 -10.094  -3.457
   63    HG2  GLN  10           HG2      GLN  10   2.338 -12.255  -3.498
   64    HG3  GLN  10           HG1      GLN  10   2.212 -11.645  -1.852
   65   HE21  GLN  10          HE21      GLN  10   0.231 -11.353  -0.952
   66   HE22  GLN  10          HE22      GLN  10  -1.245 -11.827  -1.720
   67    H    TYR  11           HN       TYR  11   0.905  -6.661  -2.942
   68    HA   TYR  11           HA       TYR  11   3.262  -5.598  -4.205
   69    HD1  TYR  11           HD1      TYR  11   2.624  -3.948  -6.597
   70    HD2  TYR  11           HD2      TYR  11   1.347  -2.099  -2.985
   71    HE1  TYR  11           HE1      TYR  11   3.460  -1.782  -7.415
   72    HE2  TYR  11           HE2      TYR  11   2.181   0.067  -3.791
   73    HH   TYR  11           HH       TYR  11   3.915   0.880  -5.431
   74    HB2  TYR  11           HB2      TYR  11   1.031  -5.062  -5.070
   75    HB3  TYR  11           HB1      TYR  11   0.602  -4.315  -3.536
   76    H    GLN  12           HN       GLN  12   4.730  -4.263  -3.354
   77    HA   GLN  12           HA       GLN  12   4.230  -3.172  -0.666
   78    HB2  GLN  12           HB2      GLN  12   6.900  -4.032  -1.800
   79    HB3  GLN  12           HB1      GLN  12   6.608  -3.408  -0.182
   80    HG2  GLN  12           HG2      GLN  12   5.158  -5.382   0.250
   81    HG3  GLN  12           HG1      GLN  12   5.651  -6.025  -1.316
   82   HE21  GLN  12          HE21      GLN  12   7.778  -6.741  -1.596
   83   HE22  GLN  12          HE22      GLN  12   8.815  -7.061  -0.251
   84    H    ALA  13           HN       ALA  13   4.479  -1.025  -0.442
   85    HA   ALA  13           HA       ALA  13   5.536   0.485  -2.741
   86    HB1  ALA  13           HB1      ALA  13   3.193   0.946  -2.135
   87    HB2  ALA  13           HB2      ALA  13   4.221   2.364  -1.917
   88    HB3  ALA  13           HB3      ALA  13   3.717   1.417  -0.518
   89    HA   PRO  14           HA       PRO  14   8.860   1.779  -0.088
   90    HB2  PRO  14           HB2      PRO  14   9.916   3.723  -1.584
   91    HB3  PRO  14           HB1      PRO  14   9.963   2.034  -2.103
   92    HG2  PRO  14           HG2      PRO  14   8.150   4.242  -2.987
   93    HG3  PRO  14           HG1      PRO  14   8.918   2.966  -3.949
   94    HD2  PRO  14           HD2      PRO  14   6.298   2.919  -3.047
   95    HD3  PRO  14           HD1      PRO  14   7.234   1.489  -3.521
   96    H    ASP  15           HN       ASP  15   6.087   3.555  -0.469
   97    HA   ASP  15           HA       ASP  15   6.776   5.386   1.642
   98    HB2  ASP  15           HB2      ASP  15   6.218   7.430   0.399
   99    HB3  ASP  15           HB1      ASP  15   7.626   6.626  -0.290
  100    H    MET  16           HN       MET  16   4.824   6.945   1.996
  101    HA   MET  16           HA       MET  16   2.584   5.241   2.474
  102    HB2  MET  16           HB2      MET  16   2.693   8.243   2.814
  103    HB3  MET  16           HB1      MET  16   1.583   7.131   3.595
  104    HG2  MET  16           HG2      MET  16   3.120   7.687   5.243
  105    HG3  MET  16           HG1      MET  16   3.640   6.097   4.680
  106    HE1  MET  16           HE1      MET  16   5.959   6.604   5.958
  107    HE2  MET  16           HE2      MET  16   5.395   8.219   6.389
  108    HE3  MET  16           HE3      MET  16   6.967   8.010   5.615
  109    H    ASP  17           HN       ASP  17   3.226   7.939   0.279
  110    HA   ASP  17           HA       ASP  17   0.557   8.393  -0.514
  111    HB2  ASP  17           HB2      ASP  17   2.442   9.990  -0.840
  112    HB3  ASP  17           HB1      ASP  17   3.070   8.938  -2.104
  113    H    THR  18           HN       THR  18   3.161   6.488  -1.994
  114    HA   THR  18           HA       THR  18   1.766   5.566  -4.232
  115    HB   THR  18           HB       THR  18   3.896   4.117  -2.639
  116    HG1  THR  18           HG1      THR  18   5.021   5.775  -3.365
  117   HG21  THR  18          HG21      THR  18   3.058   3.748  -5.520
  118   HG22  THR  18          HG22      THR  18   2.671   2.643  -4.201
  119   HG23  THR  18          HG23      THR  18   4.348   2.884  -4.684
  120    H    LEU  19           HN       LEU  19   1.840   4.339  -0.908
  121    HA   LEU  19           HA       LEU  19   0.257   2.025  -1.460
  122    HG   LEU  19           HG       LEU  19  -1.153   1.610   1.019
  123    HB2  LEU  19           HB2      LEU  19   1.748   2.256   0.534
  124    HB3  LEU  19           HB1      LEU  19   0.624   3.434   1.184
  125   HD11  LEU  19          HD11      LEU  19   0.086   0.125  -0.468
  126   HD12  LEU  19          HD12      LEU  19  -0.348  -0.683   1.038
  127   HD13  LEU  19          HD13      LEU  19   1.304  -0.119   0.785
  128   HD21  LEU  19          HD21      LEU  19  -0.188   2.369   3.135
  129   HD22  LEU  19          HD22      LEU  19   1.133   1.221   2.941
  130   HD23  LEU  19          HD23      LEU  19  -0.514   0.637   3.153
  131    H    GLN  20           HN       GLN  20  -0.388   5.320  -0.424
  132    HA   GLN  20           HA       GLN  20  -3.086   5.098   0.250
  133    HB2  GLN  20           HB2      GLN  20  -1.718   7.116   0.649
  134    HB3  GLN  20           HB1      GLN  20  -1.681   7.423  -1.082
  135    HG2  GLN  20           HG2      GLN  20  -3.309   8.860  -0.123
  136    HG3  GLN  20           HG1      GLN  20  -4.155   7.619  -1.044
  137   HE21  GLN  20          HE21      GLN  20  -3.509   8.932   2.075
  138   HE22  GLN  20          HE22      GLN  20  -4.668   7.986   2.949
  139    H    ILE  21           HN       ILE  21  -1.528   5.531  -2.878
  140    HA   ILE  21           HA       ILE  21  -3.956   5.773  -4.352
  141    HB   ILE  21           HB       ILE  21  -1.175   5.034  -5.284
  142   HG12  ILE  21          HG12      ILE  21  -2.686   7.651  -5.294
  143   HG13  ILE  21          HG11      ILE  21  -1.314   7.252  -4.268
  144   HG21  ILE  21          HG21      ILE  21  -2.853   4.259  -6.868
  145   HG22  ILE  21          HG22      ILE  21  -1.969   5.633  -7.527
  146   HG23  ILE  21          HG23      ILE  21  -3.595   5.858  -6.885
  147   HD11  ILE  21          HD11      ILE  21   0.127   7.103  -6.221
  148   HD12  ILE  21          HD12      ILE  21  -0.659   8.679  -6.133
  149   HD13  ILE  21          HD13      ILE  21  -1.245   7.465  -7.271
  150    H    HIS  22           HN       HIS  22  -1.664   3.121  -3.797
  151    HA   HIS  22           HA       HIS  22  -2.969   1.184  -5.340
  152    HD1  HIS  22           HD1      HIS  22  -1.126  -1.241  -6.023
  153    HD2  HIS  22           HD2      HIS  22  -2.316  -1.576  -2.049
  154    HE1  HIS  22           HE1      HIS  22  -1.570  -3.701  -5.613
  155    HB2  HIS  22           HB2      HIS  22  -0.682   0.883  -4.536
  156    HB3  HIS  22           HB1      HIS  22  -1.250   0.825  -2.872
  157    H    VAL  23           HN       VAL  23  -3.262   1.946  -1.883
  158    HA   VAL  23           HA       VAL  23  -5.535   0.114  -1.697
  159    HB   VAL  23           HB       VAL  23  -4.212   1.600   0.582
  160   HG11  VAL  23          HG11      VAL  23  -5.939  -0.876   0.536
  161   HG12  VAL  23          HG12      VAL  23  -6.442   0.729   1.069
  162   HG13  VAL  23          HG13      VAL  23  -5.210  -0.151   1.970
  163   HG21  VAL  23          HG21      VAL  23  -2.494   0.269  -0.438
  164   HG22  VAL  23          HG22      VAL  23  -3.566  -1.127  -0.537
  165   HG23  VAL  23          HG23      VAL  23  -3.018  -0.548   1.037
  166    H    MET  24           HN       MET  24  -5.640   2.757  -3.106
  167    HA   MET  24           HA       MET  24  -7.551   4.280  -1.640
  168    HB2  MET  24           HB2      MET  24  -6.407   5.059  -3.762
  169    HB3  MET  24           HB1      MET  24  -7.448   3.954  -4.651
  170    HG2  MET  24           HG2      MET  24  -9.414   5.152  -3.800
  171    HG3  MET  24           HG1      MET  24  -8.356   6.280  -2.958
  172    HE1  MET  24           HE1      MET  24  -8.092   4.661  -6.578
  173    HE2  MET  24           HE2      MET  24  -8.840   5.946  -7.530
  174    HE3  MET  24           HE3      MET  24  -9.792   5.062  -6.338
  175    H    GLU  25           HN       GLU  25  -7.601   1.394  -3.553
  176    HA   GLU  25           HA       GLU  25 -10.433   0.930  -3.210
  177    HB2  GLU  25           HB2      GLU  25  -8.139  -0.655  -4.323
  178    HB3  GLU  25           HB1      GLU  25  -9.655  -1.454  -3.928
  179    HG2  GLU  25           HG2      GLU  25  -9.523  -0.856  -6.288
  180    HG3  GLU  25           HG1      GLU  25 -10.847  -0.025  -5.475
  181    H    PHE  26           HN       PHE  26 -11.315  -0.609  -1.835
  182    HA   PHE  26           HA       PHE  26 -11.632  -1.690   0.123
  183    HD1  PHE  26           HD2      PHE  26 -11.587  -3.235  -1.657
  184    HD2  PHE  26           HD1      PHE  26  -7.412  -3.619  -0.938
  185    HE1  PHE  26           HE2      PHE  26 -11.351  -4.529  -3.733
  186    HE2  PHE  26           HE1      PHE  26  -7.173  -4.920  -3.003
  187    HZ   PHE  26           HZ       PHE  26  -9.090  -5.279  -4.464
  188    HB2  PHE  26           HB2      PHE  26  -8.691  -2.223   0.421
  189    HB3  PHE  26           HB1      PHE  26 -10.053  -3.239   0.878
  190    H    ILE  27           HN       ILE  27 -12.012   0.638   0.742
  191    HA   ILE  27           HA       ILE  27 -10.158   2.081   2.293
  192    HB   ILE  27           HB       ILE  27 -13.172   2.080   2.552
  193   HG12  ILE  27          HG12      ILE  27 -12.447   2.590   0.253
  194   HG13  ILE  27          HG11      ILE  27 -13.131   4.011   1.036
  195   HG21  ILE  27          HG21      ILE  27 -11.143   4.150   3.390
  196   HG22  ILE  27          HG22      ILE  27 -12.063   3.099   4.468
  197   HG23  ILE  27          HG23      ILE  27 -12.897   4.316   3.501
  198   HD11  ILE  27          HD11      ILE  27 -10.203   3.432   0.665
  199   HD12  ILE  27          HD12      ILE  27 -10.880   4.854   1.458
  200   HD13  ILE  27          HD13      ILE  27 -11.167   4.582  -0.260
  201    H    GLU  28           HN       GLU  28 -13.011   0.344   3.492
  202    HA   GLU  28           HA       GLU  28 -11.754  -1.497   5.104
  203    HB2  GLU  28           HB2      GLU  28 -11.082   0.748   6.280
  204    HB3  GLU  28           HB1      GLU  28 -12.731   0.713   6.890
  205    HG2  GLU  28           HG2      GLU  28 -11.067  -0.254   8.442
  206    HG3  GLU  28           HG1      GLU  28 -12.350  -1.376   7.989
  Start of MODEL    7
    1    HA   SER   1           HA       SER   1  13.298  -0.377   5.369
    2    HG   SER   1           HG       SER   1  16.060   1.853   5.507
    3    H1   SER   1           HT1      SER   1  12.673   0.475   3.239
    4    H2   SER   1           HT2      SER   1  14.322   0.769   3.520
    5    H3   SER   1           HT3      SER   1  13.206   2.031   3.658
    6    HB2  SER   1           HB2      SER   1  14.105   2.476   5.975
    7    HB3  SER   1           HB1      SER   1  14.124   1.132   7.117
    8    H    SER   2           HN       SER   2  11.833   2.799   4.711
    9    HA   SER   2           HA       SER   2   9.579   2.172   6.446
   10    HG   SER   2           HG       SER   2  10.647   5.623   6.458
   11    HB2  SER   2           HB2      SER   2  10.022   4.532   4.598
   12    HB3  SER   2           HB1      SER   2   8.750   4.387   5.810
   13    H    ASP   3           HN       ASP   3   9.721   0.210   4.701
   14    HA   ASP   3           HA       ASP   3   8.253   0.810   2.268
   15    HB2  ASP   3           HB2      ASP   3   9.369  -1.811   3.296
   16    HB3  ASP   3           HB1      ASP   3   8.664  -1.558   1.704
   17    H    PHE   4           HN       PHE   4   6.129   0.938   2.372
   18    HA   PHE   4           HA       PHE   4   4.683  -0.611   4.393
   19    HD1  PHE   4           HD2      PHE   4   4.110   1.155   6.236
   20    HD2  PHE   4           HD1      PHE   4   4.711   3.528   2.755
   21    HE1  PHE   4           HE2      PHE   4   5.053   2.955   7.628
   22    HE2  PHE   4           HE1      PHE   4   5.644   5.330   4.137
   23    HZ   PHE   4           HZ       PHE   4   5.821   5.047   6.579
   24    HB2  PHE   4           HB2      PHE   4   3.605   1.542   2.560
   25    HB3  PHE   4           HB1      PHE   4   2.809   0.857   3.970
   26    H    CYS   5           HN       CYS   5   3.923  -2.538   3.758
   27    HA   CYS   5           HA       CYS   5   3.472  -3.018   0.910
   28    HG   CYS   5           HG       CYS   5   6.004  -3.576   2.704
   29    HB2  CYS   5           HB2      CYS   5   3.385  -4.964   3.222
   30    HB3  CYS   5           HB1      CYS   5   3.390  -5.373   1.509
   31    H    CYS   6           HN       CYS   6   1.487  -3.674   0.075
   32    HA   CYS   6           HA       CYS   6  -0.838  -2.898   1.595
   33    HB2  CYS   6           HB2      CYS   6  -0.738  -2.525  -0.854
   34    HB3  CYS   6           HB1      CYS   6  -0.662  -4.262  -1.109
   35    HA   PRO   7           HA       PRO   7  -0.770  -6.896   3.519
   36    HB2  PRO   7           HB2      PRO   7  -2.933  -6.574   5.130
   37    HB3  PRO   7           HB1      PRO   7  -1.361  -5.837   5.461
   38    HG2  PRO   7           HG2      PRO   7  -3.816  -4.619   4.271
   39    HG3  PRO   7           HG1      PRO   7  -2.667  -3.924   5.429
   40    HD2  PRO   7           HD2      PRO   7  -2.664  -3.346   2.759
   41    HD3  PRO   7           HD1      PRO   7  -1.209  -3.279   3.778
   42    H    LYS   8           HN       LYS   8  -3.248  -5.695   1.535
   43    HA   LYS   8           HA       LYS   8  -4.659  -8.268   1.525
   44    HB2  LYS   8           HB2      LYS   8  -5.499  -5.646   0.275
   45    HB3  LYS   8           HB1      LYS   8  -6.476  -7.103   0.399
   46    HG2  LYS   8           HG2      LYS   8  -5.536  -5.357   2.670
   47    HG3  LYS   8           HG1      LYS   8  -7.187  -5.515   2.063
   48    HD2  LYS   8           HD2      LYS   8  -7.131  -7.916   2.704
   49    HD3  LYS   8           HD1      LYS   8  -5.542  -7.650   3.422
   50    HE2  LYS   8           HE2      LYS   8  -7.144  -7.548   5.181
   51    HE3  LYS   8           HE1      LYS   8  -6.587  -5.903   4.878
   52    HZ1  LYS   8           HZ1      LYS   8  -9.014  -6.076   5.165
   53    HZ2  LYS   8           HZ2      LYS   8  -9.096  -7.052   3.780
   54    HZ3  LYS   8           HZ3      LYS   8  -8.581  -5.445   3.651
   55    H    CYS   9           HN       CYS   9  -2.084  -7.100   0.119
   56    HA   CYS   9           HA       CYS   9  -2.569  -8.479  -2.410
   57    HB2  CYS   9           HB2      CYS   9  -1.479  -5.660  -2.209
   58    HB3  CYS   9           HB1      CYS   9  -1.434  -6.641  -3.668
   59    H    GLN  10           HN       GLN  10  -0.173  -8.049  -3.649
   60    HA   GLN  10           HA       GLN  10   1.776  -9.053  -1.674
   61    HB2  GLN  10           HB2      GLN  10   2.940 -10.095  -3.600
   62    HB3  GLN  10           HB1      GLN  10   1.302 -10.698  -3.396
   63    HG2  GLN  10           HG2      GLN  10   1.569  -8.415  -5.227
   64    HG3  GLN  10           HG1      GLN  10   2.369  -9.894  -5.748
   65   HE21  GLN  10          HE21      GLN  10  -0.465 -10.065  -3.751
   66   HE22  GLN  10          HE22      GLN  10  -1.544 -10.620  -4.983
   67    H    TYR  11           HN       TYR  11   0.910  -6.339  -3.108
   68    HA   TYR  11           HA       TYR  11   3.380  -5.422  -4.241
   69    HD1  TYR  11           HD1      TYR  11   3.241  -3.792  -6.405
   70    HD2  TYR  11           HD2      TYR  11   1.459  -1.722  -3.144
   71    HE1  TYR  11           HE1      TYR  11   4.297  -1.711  -7.159
   72    HE2  TYR  11           HE2      TYR  11   2.510   0.370  -3.891
   73    HH   TYR  11           HH       TYR  11   4.521   1.033  -5.228
   74    HB2  TYR  11           HB2      TYR  11   1.217  -4.682  -5.137
   75    HB3  TYR  11           HB1      TYR  11   0.825  -3.937  -3.588
   76    H    GLN  12           HN       GLN  12   4.978  -4.404  -3.252
   77    HA   GLN  12           HA       GLN  12   4.544  -3.306  -0.566
   78    HB2  GLN  12           HB2      GLN  12   6.303  -4.905  -0.541
   79    HB3  GLN  12           HB1      GLN  12   6.994  -4.279  -2.033
   80    HG2  GLN  12           HG2      GLN  12   7.528  -2.189  -0.839
   81    HG3  GLN  12           HG1      GLN  12   6.973  -2.938   0.657
   82   HE21  GLN  12          HE21      GLN  12   9.440  -2.877  -1.784
   83   HE22  GLN  12          HE22      GLN  12  10.608  -3.815  -0.910
   84    H    ALA  13           HN       ALA  13   4.427  -1.155  -0.394
   85    HA   ALA  13           HA       ALA  13   5.440   0.481  -2.619
   86    HB1  ALA  13           HB1      ALA  13   3.046   0.710  -2.170
   87    HB2  ALA  13           HB2      ALA  13   3.905   2.216  -1.843
   88    HB3  ALA  13           HB3      ALA  13   3.400   1.180  -0.507
   89    HA   PRO  14           HA       PRO  14   8.618   1.588   0.302
   90    HB2  PRO  14           HB2      PRO  14  10.068   3.130  -1.373
   91    HB3  PRO  14           HB1      PRO  14  10.064   1.365  -1.475
   92    HG2  PRO  14           HG2      PRO  14   8.564   3.364  -3.118
   93    HG3  PRO  14           HG1      PRO  14   9.403   1.891  -3.638
   94    HD2  PRO  14           HD2      PRO  14   6.706   2.034  -3.285
   95    HD3  PRO  14           HD1      PRO  14   7.638   0.539  -3.077
   96    H    ASP  15           HN       ASP  15   6.088   3.394  -0.617
   97    HA   ASP  15           HA       ASP  15   6.801   5.524   1.204
   98    HB2  ASP  15           HB2      ASP  15   7.496   6.367  -1.052
   99    HB3  ASP  15           HB1      ASP  15   5.820   6.216  -1.576
  100    H    MET  16           HN       MET  16   4.935   6.727   1.915
  101    HA   MET  16           HA       MET  16   2.734   4.995   2.355
  102    HB2  MET  16           HB2      MET  16   3.603   6.698   3.974
  103    HB3  MET  16           HB1      MET  16   2.907   7.948   2.950
  104    HG2  MET  16           HG2      MET  16   0.688   6.936   3.281
  105    HG3  MET  16           HG1      MET  16   1.419   5.770   4.384
  106    HE1  MET  16           HE1      MET  16  -0.347   6.466   6.235
  107    HE2  MET  16           HE2      MET  16  -1.058   7.660   5.151
  108    HE3  MET  16           HE3      MET  16  -0.593   8.123   6.789
  109    H    ASP  17           HN       ASP  17   3.258   7.780   0.253
  110    HA   ASP  17           HA       ASP  17   0.562   8.297  -0.392
  111    HB2  ASP  17           HB2      ASP  17   3.153   8.899  -1.784
  112    HB3  ASP  17           HB1      ASP  17   1.613   9.277  -2.551
  113    H    THR  18           HN       THR  18   3.021   6.400  -2.083
  114    HA   THR  18           HA       THR  18   1.443   5.605  -4.240
  115    HB   THR  18           HB       THR  18   3.666   3.954  -3.025
  116    HG1  THR  18           HG1      THR  18   5.102   5.309  -4.050
  117   HG21  THR  18          HG21      THR  18   4.074   3.307  -5.353
  118   HG22  THR  18          HG22      THR  18   2.733   4.326  -5.876
  119   HG23  THR  18          HG23      THR  18   2.425   2.910  -4.871
  120    H    LEU  19           HN       LEU  19   1.881   4.158  -1.045
  121    HA   LEU  19           HA       LEU  19   0.450   1.777  -1.555
  122    HG   LEU  19           HG       LEU  19  -0.965   1.493   1.122
  123    HB2  LEU  19           HB2      LEU  19   1.913   2.040   0.397
  124    HB3  LEU  19           HB1      LEU  19   0.827   3.252   1.055
  125   HD11  LEU  19          HD11      LEU  19  -0.269  -0.842   1.006
  126   HD12  LEU  19          HD12      LEU  19   1.353  -0.339   0.530
  127   HD13  LEU  19          HD13      LEU  19  -0.017  -0.019  -0.535
  128   HD21  LEU  19          HD21      LEU  19  -0.090   0.395   3.124
  129   HD22  LEU  19          HD22      LEU  19   0.264   2.124   3.122
  130   HD23  LEU  19          HD23      LEU  19   1.529   0.964   2.722
  131    H    GLN  20           HN       GLN  20  -0.529   4.917  -0.243
  132    HA   GLN  20           HA       GLN  20  -3.165   4.227   0.421
  133    HB2  GLN  20           HB2      GLN  20  -1.898   6.265   1.169
  134    HB3  GLN  20           HB1      GLN  20  -2.184   6.956  -0.423
  135    HG2  GLN  20           HG2      GLN  20  -3.766   7.808   1.201
  136    HG3  GLN  20           HG1      GLN  20  -4.586   6.863  -0.041
  137   HE21  GLN  20          HE21      GLN  20  -6.356   6.514   1.310
  138   HE22  GLN  20          HE22      GLN  20  -6.290   5.407   2.638
  139    H    ILE  21           HN       ILE  21  -1.764   5.460  -2.572
  140    HA   ILE  21           HA       ILE  21  -4.282   5.714  -3.910
  141    HB   ILE  21           HB       ILE  21  -1.515   5.536  -5.119
  142   HG12  ILE  21          HG12      ILE  21  -3.165   7.907  -4.228
  143   HG13  ILE  21          HG11      ILE  21  -1.644   7.369  -3.526
  144   HG21  ILE  21          HG21      ILE  21  -3.265   5.119  -6.755
  145   HG22  ILE  21          HG22      ILE  21  -2.547   6.707  -7.027
  146   HG23  ILE  21          HG23      ILE  21  -4.119   6.576  -6.240
  147   HD11  ILE  21          HD11      ILE  21  -0.493   7.914  -5.616
  148   HD12  ILE  21          HD12      ILE  21  -1.304   9.317  -4.918
  149   HD13  ILE  21          HD13      ILE  21  -2.018   8.481  -6.297
  150    H    HIS  22           HN       HIS  22  -1.825   3.237  -3.626
  151    HA   HIS  22           HA       HIS  22  -2.836   1.505  -5.617
  152    HD1  HIS  22           HD1      HIS  22  -1.231  -1.121  -6.290
  153    HD2  HIS  22           HD2      HIS  22  -1.840  -1.269  -2.177
  154    HE1  HIS  22           HE1      HIS  22  -1.548  -3.567  -5.705
  155    HB2  HIS  22           HB2      HIS  22  -0.617   1.096  -4.950
  156    HB3  HIS  22           HB1      HIS  22  -1.031   1.113  -3.240
  157    H    VAL  23           HN       VAL  23  -3.267   1.550  -2.081
  158    HA   VAL  23           HA       VAL  23  -4.891  -0.771  -2.079
  159    HB   VAL  23           HB       VAL  23  -3.511  -0.046  -0.155
  160   HG11  VAL  23          HG11      VAL  23  -4.410   1.654   1.381
  161   HG12  VAL  23          HG12      VAL  23  -5.616   2.080   0.167
  162   HG13  VAL  23          HG13      VAL  23  -3.902   2.319  -0.170
  163   HG21  VAL  23          HG21      VAL  23  -5.270  -1.681   0.137
  164   HG22  VAL  23          HG22      VAL  23  -6.442  -0.396   0.428
  165   HG23  VAL  23          HG23      VAL  23  -5.123  -0.665   1.569
  166    H    MET  24           HN       MET  24  -5.566   2.682  -2.219
  167    HA   MET  24           HA       MET  24  -7.441   3.833  -2.789
  168    HB2  MET  24           HB2      MET  24  -8.557   1.119  -3.519
  169    HB3  MET  24           HB1      MET  24  -9.265   2.665  -3.961
  170    HG2  MET  24           HG2      MET  24  -7.501   3.171  -5.429
  171    HG3  MET  24           HG1      MET  24  -6.487   1.885  -4.776
  172    HE1  MET  24           HE1      MET  24  -8.497  -0.540  -4.541
  173    HE2  MET  24           HE2      MET  24  -6.876  -0.691  -5.220
  174    HE3  MET  24           HE3      MET  24  -8.265  -1.332  -6.099
  175    H    GLU  25           HN       GLU  25  -9.053   0.873  -1.728
  176    HA   GLU  25           HA       GLU  25  -9.958   2.222   0.708
  177    HB2  GLU  25           HB2      GLU  25 -12.239   1.387   0.363
  178    HB3  GLU  25           HB1      GLU  25 -11.759   2.472  -0.932
  179    HG2  GLU  25           HG2      GLU  25 -11.205   0.455  -2.303
  180    HG3  GLU  25           HG1      GLU  25 -11.932  -0.528  -1.032
  181    H    PHE  26           HN       PHE  26 -10.356   0.788   2.437
  182    HA   PHE  26           HA       PHE  26  -9.656  -2.003   2.035
  183    HD1  PHE  26           HD2      PHE  26  -7.341   1.166   1.663
  184    HD2  PHE  26           HD1      PHE  26  -7.908  -0.225   5.644
  185    HE1  PHE  26           HE2      PHE  26  -6.738   3.389   2.517
  186    HE2  PHE  26           HE1      PHE  26  -7.298   1.994   6.512
  187    HZ   PHE  26           HZ       PHE  26  -6.712   3.809   4.946
  188    HB2  PHE  26           HB2      PHE  26  -7.820  -1.763   3.820
  189    HB3  PHE  26           HB1      PHE  26  -7.449  -1.224   2.185
  190    H    ILE  27           HN       ILE  27 -10.441  -3.325   3.542
  191    HA   ILE  27           HA       ILE  27 -11.720  -2.107   5.898
  192    HB   ILE  27           HB       ILE  27 -12.294  -4.776   4.577
  193   HG12  ILE  27          HG12      ILE  27 -14.635  -3.695   4.420
  194   HG13  ILE  27          HG11      ILE  27 -13.809  -2.173   4.726
  195   HG21  ILE  27          HG21      ILE  27 -12.479  -4.980   6.984
  196   HG22  ILE  27          HG22      ILE  27 -14.081  -5.018   6.245
  197   HG23  ILE  27          HG23      ILE  27 -13.513  -3.553   7.045
  198   HD11  ILE  27          HD11      ILE  27 -14.202  -2.540   2.351
  199   HD12  ILE  27          HD12      ILE  27 -13.257  -4.028   2.422
  200   HD13  ILE  27          HD13      ILE  27 -12.479  -2.473   2.718
  201    H    GLU  28           HN       GLU  28 -10.218  -2.113   7.445
  202    HA   GLU  28           HA       GLU  28  -9.212  -4.624   8.430
  203    HB2  GLU  28           HB2      GLU  28  -7.553  -4.121   6.690
  204    HB3  GLU  28           HB1      GLU  28  -7.299  -2.525   7.380
  205    HG2  GLU  28           HG2      GLU  28  -6.444  -3.581   9.436
  206    HG3  GLU  28           HG1      GLU  28  -6.630  -5.162   8.672
  Start of MODEL    8
    1    HA   SER   1           HA       SER   1  14.508  -2.645   5.576
    2    HG   SER   1           HG       SER   1  12.733  -6.086   6.270
    3    H1   SER   1           HT1      SER   1  12.733  -1.846   7.031
    4    H2   SER   1           HT2      SER   1  13.874  -2.810   7.833
    5    H3   SER   1           HT3      SER   1  12.357  -3.451   7.432
    6    HB2  SER   1           HB2      SER   1  14.118  -5.180   4.963
    7    HB3  SER   1           HB1      SER   1  15.115  -4.745   6.351
    8    H    SER   2           HN       SER   2  11.203  -3.937   5.855
    9    HA   SER   2           HA       SER   2  10.727  -3.268   3.049
   10    HG   SER   2           HG       SER   2  10.483  -6.065   4.609
   11    HB2  SER   2           HB2      SER   2   8.936  -4.605   5.093
   12    HB3  SER   2           HB1      SER   2   8.561  -4.400   3.381
   13    H    ASP   3           HN       ASP   3   9.334  -1.642   2.410
   14    HA   ASP   3           HA       ASP   3   9.143   0.487   4.344
   15    HB2  ASP   3           HB2      ASP   3   8.322   0.421   1.434
   16    HB3  ASP   3           HB1      ASP   3   8.368   1.861   2.445
   17    H    PHE   4           HN       PHE   4   6.617   0.109   1.952
   18    HA   PHE   4           HA       PHE   4   4.680  -0.284   4.133
   19    HD1  PHE   4           HD2      PHE   4   3.272   2.025   5.296
   20    HD2  PHE   4           HD1      PHE   4   6.298   3.078   2.494
   21    HE1  PHE   4           HE2      PHE   4   4.086   3.766   6.834
   22    HE2  PHE   4           HE1      PHE   4   7.118   4.818   4.025
   23    HZ   PHE   4           HZ       PHE   4   6.009   5.168   6.198
   24    HB2  PHE   4           HB2      PHE   4   4.460   1.683   1.842
   25    HB3  PHE   4           HB1      PHE   4   3.156   1.305   2.963
   26    H    CYS   5           HN       CYS   5   4.033  -2.310   3.749
   27    HA   CYS   5           HA       CYS   5   3.612  -3.240   1.029
   28    HG   CYS   5           HG       CYS   5   4.328  -3.902   5.023
   29    HB2  CYS   5           HB2      CYS   5   3.054  -5.404   2.227
   30    HB3  CYS   5           HB1      CYS   5   4.695  -4.808   2.456
   31    H    CYS   6           HN       CYS   6   1.620  -3.928   0.200
   32    HA   CYS   6           HA       CYS   6  -0.744  -2.816   1.476
   33    HB2  CYS   6           HB2      CYS   6  -0.493  -2.677  -1.000
   34    HB3  CYS   6           HB1      CYS   6  -0.505  -4.435  -1.082
   35    HA   PRO   7           HA       PRO   7  -1.121  -6.649   3.831
   36    HB2  PRO   7           HB2      PRO   7  -3.750  -5.387   4.430
   37    HB3  PRO   7           HB1      PRO   7  -2.546  -6.059   5.535
   38    HG2  PRO   7           HG2      PRO   7  -2.828  -3.426   5.292
   39    HG3  PRO   7           HG1      PRO   7  -1.219  -4.154   5.458
   40    HD2  PRO   7           HD2      PRO   7  -2.570  -3.081   3.018
   41    HD3  PRO   7           HD1      PRO   7  -0.863  -2.986   3.500
   42    H    LYS   8           HN       LYS   8  -3.569  -5.289   1.720
   43    HA   LYS   8           HA       LYS   8  -5.123  -7.686   1.532
   44    HB2  LYS   8           HB2      LYS   8  -5.142  -5.292  -0.314
   45    HB3  LYS   8           HB1      LYS   8  -6.410  -6.495  -0.135
   46    HG2  LYS   8           HG2      LYS   8  -5.536  -4.543   1.986
   47    HG3  LYS   8           HG1      LYS   8  -6.973  -4.395   0.972
   48    HD2  LYS   8           HD2      LYS   8  -7.809  -6.521   1.918
   49    HD3  LYS   8           HD1      LYS   8  -6.402  -6.570   2.982
   50    HE2  LYS   8           HE2      LYS   8  -7.087  -4.465   4.003
   51    HE3  LYS   8           HE1      LYS   8  -8.477  -4.383   2.919
   52    HZ1  LYS   8           HZ1      LYS   8  -9.212  -5.235   5.000
   53    HZ2  LYS   8           HZ2      LYS   8  -7.979  -6.395   5.045
   54    HZ3  LYS   8           HZ3      LYS   8  -9.226  -6.523   3.898
   55    H    CYS   9           HN       CYS   9  -2.161  -6.809   0.198
   56    HA   CYS   9           HA       CYS   9  -2.490  -8.685  -2.039
   57    HB2  CYS   9           HB2      CYS   9  -1.207  -5.954  -2.281
   58    HB3  CYS   9           HB1      CYS   9  -1.323  -7.158  -3.558
   59    H    GLN  10           HN       GLN  10  -0.042  -8.551  -3.168
   60    HA   GLN  10           HA       GLN  10   1.819  -9.205  -0.983
   61    HB2  GLN  10           HB2      GLN  10   2.042  -9.788  -3.948
   62    HB3  GLN  10           HB1      GLN  10   3.132 -10.359  -2.695
   63    HG2  GLN  10           HG2      GLN  10   0.219 -11.083  -2.907
   64    HG3  GLN  10           HG1      GLN  10   1.560 -12.082  -3.464
   65   HE21  GLN  10          HE21      GLN  10   2.910 -13.052  -1.948
   66   HE22  GLN  10          HE22      GLN  10   2.427 -13.261  -0.302
   67    H    TYR  11           HN       TYR  11   1.086  -7.017  -3.470
   68    HA   TYR  11           HA       TYR  11   3.446  -5.811  -4.186
   69    HD1  TYR  11           HD2      TYR  11   1.791  -2.256  -3.288
   70    HD2  TYR  11           HD1      TYR  11   2.630  -4.462  -6.829
   71    HE1  TYR  11           HE2      TYR  11   2.721  -0.232  -4.323
   72    HE2  TYR  11           HE1      TYR  11   3.576  -2.446  -7.868
   73    HH   TYR  11           HH       TYR  11   3.335   0.083  -7.587
   74    HB2  TYR  11           HB2      TYR  11   1.174  -5.367  -5.109
   75    HB3  TYR  11           HB1      TYR  11   0.801  -4.445  -3.658
   76    H    GLN  12           HN       GLN  12   4.895  -4.523  -3.241
   77    HA   GLN  12           HA       GLN  12   4.168  -3.191  -0.712
   78    HB2  GLN  12           HB2      GLN  12   6.886  -4.230  -1.541
   79    HB3  GLN  12           HB1      GLN  12   6.537  -3.353  -0.057
   80    HG2  GLN  12           HG2      GLN  12   5.021  -5.177   0.621
   81    HG3  GLN  12           HG1      GLN  12   5.488  -6.064  -0.831
   82   HE21  GLN  12          HE21      GLN  12   7.532  -6.964  -0.959
   83   HE22  GLN  12          HE22      GLN  12   8.558  -7.133   0.424
   84    H    ALA  13           HN       ALA  13   4.559  -1.039  -0.577
   85    HA   ALA  13           HA       ALA  13   5.737   0.246  -2.953
   86    HB1  ALA  13           HB1      ALA  13   4.302   2.156  -2.500
   87    HB2  ALA  13           HB2      ALA  13   3.669   1.362  -1.059
   88    HB3  ALA  13           HB3      ALA  13   3.335   0.690  -2.655
   89    HA   PRO  14           HA       PRO  14   8.811   1.944  -0.271
   90    HB2  PRO  14           HB2      PRO  14   9.647   4.043  -1.721
   91    HB3  PRO  14           HB1      PRO  14   9.947   2.376  -2.229
   92    HG2  PRO  14           HG2      PRO  14   7.841   4.289  -3.163
   93    HG3  PRO  14           HG1      PRO  14   8.854   3.188  -4.116
   94    HD2  PRO  14           HD2      PRO  14   6.274   2.631  -3.414
   95    HD3  PRO  14           HD1      PRO  14   7.504   1.382  -3.692
   96    H    ASP  15           HN       ASP  15   5.938   3.614  -0.960
   97    HA   ASP  15           HA       ASP  15   6.464   5.541   1.177
   98    HB2  ASP  15           HB2      ASP  15   6.969   6.860  -0.725
   99    HB3  ASP  15           HB1      ASP  15   5.616   6.206  -1.637
  100    H    MET  16           HN       MET  16   4.585   6.353   2.192
  101    HA   MET  16           HA       MET  16   2.539   4.387   2.425
  102    HB2  MET  16           HB2      MET  16   3.279   5.701   4.354
  103    HB3  MET  16           HB1      MET  16   2.682   7.171   3.594
  104    HG2  MET  16           HG2      MET  16   0.399   6.114   3.604
  105    HG3  MET  16           HG1      MET  16   1.083   4.840   4.610
  106    HE1  MET  16           HE1      MET  16   1.886   8.702   4.606
  107    HE2  MET  16           HE2      MET  16   0.789   9.273   5.863
  108    HE3  MET  16           HE3      MET  16   0.142   8.633   4.353
  109    H    ASP  17           HN       ASP  17   2.690   7.604   0.947
  110    HA   ASP  17           HA       ASP  17  -0.121   7.702   0.405
  111    HB2  ASP  17           HB2      ASP  17   2.199   9.305  -0.671
  112    HB3  ASP  17           HB1      ASP  17   0.533   9.578  -1.171
  113    H    THR  18           HN       THR  18   2.758   6.808  -1.392
  114    HA   THR  18           HA       THR  18   1.574   6.198  -3.850
  115    HB   THR  18           HB       THR  18   3.860   4.725  -2.524
  116    HG1  THR  18           HG1      THR  18   4.013   7.124  -2.751
  117   HG21  THR  18          HG21      THR  18   3.136   5.078  -5.437
  118   HG22  THR  18          HG22      THR  18   3.002   3.585  -4.508
  119   HG23  THR  18          HG23      THR  18   4.590   4.282  -4.830
  120    H    LEU  19           HN       LEU  19   2.010   4.229  -0.932
  121    HA   LEU  19           HA       LEU  19   0.738   1.903  -1.896
  122    HG   LEU  19           HG       LEU  19  -0.666   1.035   0.679
  123    HB2  LEU  19           HB2      LEU  19   2.153   1.957   0.122
  124    HB3  LEU  19           HB1      LEU  19   0.943   2.928   0.938
  125   HD11  LEU  19          HD11      LEU  19   0.381  -0.060  -1.224
  126   HD12  LEU  19          HD12      LEU  19   0.216  -1.173   0.134
  127   HD13  LEU  19          HD13      LEU  19   1.786  -0.459  -0.235
  128   HD21  LEU  19          HD21      LEU  19   1.882   0.424   2.172
  129   HD22  LEU  19          HD22      LEU  19   0.308  -0.316   2.465
  130   HD23  LEU  19          HD23      LEU  19   0.542   1.407   2.764
  131    H    GLN  20           HN       GLN  20  -0.450   4.745  -0.176
  132    HA   GLN  20           HA       GLN  20  -3.087   3.988   0.252
  133    HB2  GLN  20           HB2      GLN  20  -2.064   5.988   1.215
  134    HB3  GLN  20           HB1      GLN  20  -1.970   6.727  -0.378
  135    HG2  GLN  20           HG2      GLN  20  -4.416   6.733  -0.503
  136    HG3  GLN  20           HG1      GLN  20  -4.493   6.015   1.105
  137   HE21  GLN  20          HE21      GLN  20  -2.100   8.383   0.227
  138   HE22  GLN  20          HE22      GLN  20  -2.720   9.665   1.204
  139    H    ILE  21           HN       ILE  21  -1.615   5.523  -2.590
  140    HA   ILE  21           HA       ILE  21  -3.988   5.713  -4.119
  141    HB   ILE  21           HB       ILE  21  -1.136   5.448  -5.098
  142   HG12  ILE  21          HG12      ILE  21  -2.813   7.927  -4.637
  143   HG13  ILE  21          HG11      ILE  21  -1.531   7.371  -3.568
  144   HG21  ILE  21          HG21      ILE  21  -2.769   4.946  -6.842
  145   HG22  ILE  21          HG22      ILE  21  -1.958   6.479  -7.159
  146   HG23  ILE  21          HG23      ILE  21  -3.600   6.466  -6.514
  147   HD11  ILE  21          HD11      ILE  21   0.095   7.676  -5.360
  148   HD12  ILE  21          HD12      ILE  21  -0.763   9.174  -4.994
  149   HD13  ILE  21          HD13      ILE  21  -1.189   8.239  -6.429
  150    H    HIS  22           HN       HIS  22  -1.542   3.191  -3.781
  151    HA   HIS  22           HA       HIS  22  -2.580   1.428  -5.716
  152    HD1  HIS  22           HD1      HIS  22  -0.917  -1.116  -6.404
  153    HD2  HIS  22           HD2      HIS  22  -1.802  -1.476  -2.358
  154    HE1  HIS  22           HE1      HIS  22  -1.259  -3.581  -5.974
  155    HB2  HIS  22           HB2      HIS  22  -0.372   1.029  -4.903
  156    HB3  HIS  22           HB1      HIS  22  -0.924   0.963  -3.234
  157    H    VAL  23           HN       VAL  23  -3.149   1.627  -2.199
  158    HA   VAL  23           HA       VAL  23  -4.999  -0.554  -2.234
  159    HB   VAL  23           HB       VAL  23  -4.749   1.528  -0.054
  160   HG11  VAL  23          HG11      VAL  23  -6.688   0.064   0.150
  161   HG12  VAL  23          HG12      VAL  23  -5.496  -0.312   1.394
  162   HG13  VAL  23          HG13      VAL  23  -5.650  -1.352  -0.023
  163   HG21  VAL  23          HG21      VAL  23  -3.162  -1.010  -0.437
  164   HG22  VAL  23          HG22      VAL  23  -3.125   0.013   1.000
  165   HG23  VAL  23          HG23      VAL  23  -2.538   0.636  -0.543
  166    H    MET  24           HN       MET  24  -5.250   2.604  -3.285
  167    HA   MET  24           HA       MET  24  -7.968   3.137  -2.632
  168    HB2  MET  24           HB2      MET  24  -6.331   4.883  -3.308
  169    HB3  MET  24           HB1      MET  24  -6.334   4.221  -4.936
  170    HG2  MET  24           HG2      MET  24  -8.656   4.796  -5.212
  171    HG3  MET  24           HG1      MET  24  -8.753   5.340  -3.539
  172    HE1  MET  24           HE1      MET  24  -6.139   7.463  -6.703
  173    HE2  MET  24           HE2      MET  24  -7.130   6.051  -7.079
  174    HE3  MET  24           HE3      MET  24  -5.747   5.895  -5.996
  175    H    GLU  25           HN       GLU  25  -6.500   0.959  -4.775
  176    HA   GLU  25           HA       GLU  25  -8.462   0.669  -6.759
  177    HB2  GLU  25           HB2      GLU  25  -6.734  -1.444  -5.468
  178    HB3  GLU  25           HB1      GLU  25  -7.646  -1.657  -6.955
  179    HG2  GLU  25           HG2      GLU  25  -6.289  -0.056  -8.097
  180    HG3  GLU  25           HG1      GLU  25  -5.478   0.402  -6.599
  181    H    PHE  26           HN       PHE  26  -8.387  -0.200  -3.420
  182    HA   PHE  26           HA       PHE  26 -11.065  -1.390  -3.666
  183    HD1  PHE  26           HD1      PHE  26  -7.236  -2.484  -3.516
  184    HD2  PHE  26           HD2      PHE  26 -10.906  -4.626  -3.519
  185    HE1  PHE  26           HE1      PHE  26  -6.299  -4.082  -5.135
  186    HE2  PHE  26           HE2      PHE  26  -9.984  -6.230  -5.123
  187    HZ   PHE  26           HZ       PHE  26  -7.647  -5.875  -6.010
  188    HB2  PHE  26           HB2      PHE  26  -8.938  -2.257  -1.688
  189    HB3  PHE  26           HB1      PHE  26 -10.531  -2.977  -1.907
  190    H    ILE  27           HN       ILE  27 -11.908  -1.506  -1.167
  191    HA   ILE  27           HA       ILE  27 -11.276   1.069   0.076
  192    HB   ILE  27           HB       ILE  27 -13.636   1.445   0.644
  193   HG12  ILE  27          HG12      ILE  27 -14.352  -0.970   0.395
  194   HG13  ILE  27          HG11      ILE  27 -15.446   0.215  -0.301
  195   HG21  ILE  27          HG21      ILE  27 -13.048   1.251  -2.298
  196   HG22  ILE  27          HG22      ILE  27 -12.722   2.615  -1.230
  197   HG23  ILE  27          HG23      ILE  27 -14.386   2.161  -1.596
  198   HD11  ILE  27          HD11      ILE  27 -13.473  -1.481  -1.817
  199   HD12  ILE  27          HD12      ILE  27 -14.549  -0.276  -2.527
  200   HD13  ILE  27          HD13      ILE  27 -15.221  -1.709  -1.748
  201    H    GLU  28           HN       GLU  28 -11.153   1.073   2.239
  202    HA   GLU  28           HA       GLU  28 -12.365  -1.094   3.742
  203    HB2  GLU  28           HB2      GLU  28 -10.287  -1.464   5.067
  204    HB3  GLU  28           HB1      GLU  28 -10.163  -1.994   3.398
  205    HG2  GLU  28           HG2      GLU  28  -8.899   0.013   2.848
  206    HG3  GLU  28           HG1      GLU  28  -9.044   0.567   4.516
  Start of MODEL    9
    1    HA   SER   1           HA       SER   1  11.799  -5.640   5.809
    2    HG   SER   1           HG       SER   1  12.926  -5.672   2.458
    3    H1   SER   1           HT1      SER   1  10.108  -4.580   3.624
    4    H2   SER   1           HT2      SER   1   9.530  -5.372   5.009
    5    H3   SER   1           HT3      SER   1  10.508  -6.207   3.907
    6    HB2  SER   1           HB2      SER   1  12.474  -3.871   3.446
    7    HB3  SER   1           HB1      SER   1  13.597  -4.402   4.696
    8    H    SER   2           HN       SER   2  10.994  -2.552   4.198
    9    HA   SER   2           HA       SER   2  10.086  -1.483   6.757
   10    HG   SER   2           HG       SER   2  12.366  -1.784   7.198
   11    HB2  SER   2           HB2      SER   2  12.179  -0.086   5.058
   12    HB3  SER   2           HB1      SER   2  11.433   0.562   6.518
   13    H    ASP   3           HN       ASP   3   8.874  -2.367   4.325
   14    HA   ASP   3           HA       ASP   3   8.326   0.013   2.728
   15    HB2  ASP   3           HB2      ASP   3   7.315  -2.737   2.082
   16    HB3  ASP   3           HB1      ASP   3   7.766  -1.436   0.986
   17    H    PHE   4           HN       PHE   4   6.189   0.575   2.137
   18    HA   PHE   4           HA       PHE   4   4.149  -0.156   4.084
   19    HD1  PHE   4           HD2      PHE   4   3.111   2.298   5.326
   20    HD2  PHE   4           HD1      PHE   4   6.057   3.092   2.359
   21    HE1  PHE   4           HE2      PHE   4   4.167   3.943   6.822
   22    HE2  PHE   4           HE1      PHE   4   7.118   4.738   3.850
   23    HZ   PHE   4           HZ       PHE   4   6.133   5.196   6.080
   24    HB2  PHE   4           HB2      PHE   4   4.097   1.852   1.815
   25    HB3  PHE   4           HB1      PHE   4   2.805   1.611   2.986
   26    H    CYS   5           HN       CYS   5   3.476  -2.180   3.565
   27    HA   CYS   5           HA       CYS   5   2.964  -2.793   0.746
   28    HG   CYS   5           HG       CYS   5   2.312  -4.366   4.372
   29    HB2  CYS   5           HB2      CYS   5   2.933  -5.174   1.573
   30    HB3  CYS   5           HB1      CYS   5   4.473  -4.340   1.758
   31    H    CYS   6           HN       CYS   6   1.026  -3.619   0.028
   32    HA   CYS   6           HA       CYS   6  -1.328  -3.004   1.566
   33    HB2  CYS   6           HB2      CYS   6  -1.256  -2.755  -0.905
   34    HB3  CYS   6           HB1      CYS   6  -1.052  -4.493  -1.062
   35    HA   PRO   7           HA       PRO   7  -1.191  -6.792   3.837
   36    HB2  PRO   7           HB2      PRO   7  -4.073  -6.373   4.337
   37    HB3  PRO   7           HB1      PRO   7  -2.733  -6.458   5.485
   38    HG2  PRO   7           HG2      PRO   7  -3.947  -4.137   4.937
   39    HG3  PRO   7           HG1      PRO   7  -2.201  -4.225   5.234
   40    HD2  PRO   7           HD2      PRO   7  -3.670  -4.001   2.630
   41    HD3  PRO   7           HD1      PRO   7  -2.185  -3.178   3.162
   42    H    LYS   8           HN       LYS   8  -3.902  -6.257   1.624
   43    HA   LYS   8           HA       LYS   8  -4.537  -9.062   1.467
   44    HB2  LYS   8           HB2      LYS   8  -5.491  -6.778  -0.267
   45    HB3  LYS   8           HB1      LYS   8  -6.181  -8.394  -0.220
   46    HG2  LYS   8           HG2      LYS   8  -6.751  -8.020   2.164
   47    HG3  LYS   8           HG1      LYS   8  -6.190  -6.353   1.990
   48    HD2  LYS   8           HD2      LYS   8  -7.852  -5.964   0.250
   49    HD3  LYS   8           HD1      LYS   8  -8.396  -7.637   0.376
   50    HE2  LYS   8           HE2      LYS   8  -9.007  -7.208   2.739
   51    HE3  LYS   8           HE1      LYS   8  -8.564  -5.517   2.512
   52    HZ1  LYS   8           HZ1      LYS   8 -10.277  -5.348   0.795
   53    HZ2  LYS   8           HZ2      LYS   8 -10.944  -5.837   2.277
   54    HZ3  LYS   8           HZ3      LYS   8 -10.701  -6.970   1.042
   55    H    CYS   9           HN       CYS   9  -2.148  -7.178   0.126
   56    HA   CYS   9           HA       CYS   9  -1.938  -8.925  -2.241
   57    HB2  CYS   9           HB2      CYS   9  -1.084  -6.028  -2.040
   58    HB3  CYS   9           HB1      CYS   9  -0.905  -7.061  -3.451
   59    H    GLN  10           HN       GLN  10   0.408  -8.763  -3.142
   60    HA   GLN  10           HA       GLN  10   2.303  -8.834  -0.893
   61    HB2  GLN  10           HB2      GLN  10   2.662  -9.938  -3.689
   62    HB3  GLN  10           HB1      GLN  10   3.728 -10.198  -2.312
   63    HG2  GLN  10           HG2      GLN  10   1.799 -11.315  -1.162
   64    HG3  GLN  10           HG1      GLN  10   0.927 -11.219  -2.687
   65   HE21  GLN  10          HE21      GLN  10   1.680 -13.524  -1.160
   66   HE22  GLN  10          HE22      GLN  10   2.674 -14.506  -2.189
   67    H    TYR  11           HN       TYR  11   1.090  -6.690  -2.774
   68    HA   TYR  11           HA       TYR  11   3.308  -5.469  -4.086
   69    HD1  TYR  11           HD1      TYR  11   2.309  -4.070  -6.552
   70    HD2  TYR  11           HD2      TYR  11   1.346  -2.039  -2.941
   71    HE1  TYR  11           HE1      TYR  11   2.955  -1.934  -7.587
   72    HE2  TYR  11           HE2      TYR  11   1.987   0.099  -3.964
   73    HH   TYR  11           HH       TYR  11   3.455   0.889  -5.818
   74    HB2  TYR  11           HB2      TYR  11   0.969  -5.148  -4.823
   75    HB3  TYR  11           HB1      TYR  11   0.612  -4.321  -3.312
   76    H    GLN  12           HN       GLN  12   4.829  -4.228  -3.230
   77    HA   GLN  12           HA       GLN  12   4.324  -3.009  -0.588
   78    HB2  GLN  12           HB2      GLN  12   6.766  -3.167  -0.198
   79    HB3  GLN  12           HB1      GLN  12   6.016  -4.747  -0.403
   80    HG2  GLN  12           HG2      GLN  12   6.793  -4.784  -2.736
   81    HG3  GLN  12           HG1      GLN  12   7.583  -3.230  -2.477
   82   HE21  GLN  12          HE21      GLN  12   9.411  -3.122  -1.199
   83   HE22  GLN  12          HE22      GLN  12  10.329  -4.525  -0.781
   84    H    ALA  13           HN       ALA  13   4.785  -0.859  -0.346
   85    HA   ALA  13           HA       ALA  13   5.915   0.520  -2.692
   86    HB1  ALA  13           HB1      ALA  13   4.507   2.451  -2.124
   87    HB2  ALA  13           HB2      ALA  13   3.797   1.539  -0.791
   88    HB3  ALA  13           HB3      ALA  13   3.533   1.019  -2.455
   89    HA   PRO  14           HA       PRO  14   9.080   1.778   0.188
   90    HB2  PRO  14           HB2      PRO  14  10.135   3.793  -1.329
   91    HB3  PRO  14           HB1      PRO  14  10.481   2.081  -1.596
   92    HG2  PRO  14           HG2      PRO  14   8.552   3.870  -3.021
   93    HG3  PRO  14           HG1      PRO  14   9.642   2.638  -3.684
   94    HD2  PRO  14           HD2      PRO  14   7.003   2.187  -3.318
   95    HD3  PRO  14           HD1      PRO  14   8.215   0.904  -3.140
   96    H    ASP  15           HN       ASP  15   6.745   3.953  -1.229
   97    HA   ASP  15           HA       ASP  15   6.971   5.687   1.139
   98    HB2  ASP  15           HB2      ASP  15   6.160   7.554  -0.260
   99    HB3  ASP  15           HB1      ASP  15   7.692   6.913  -0.842
  100    H    MET  16           HN       MET  16   5.019   6.521   1.988
  101    HA   MET  16           HA       MET  16   2.941   4.565   1.957
  102    HB2  MET  16           HB2      MET  16   1.813   6.051   3.592
  103    HB3  MET  16           HB1      MET  16   3.469   5.660   4.028
  104    HG2  MET  16           HG2      MET  16   4.220   7.828   3.301
  105    HG3  MET  16           HG1      MET  16   2.602   8.234   2.727
  106    HE1  MET  16           HE1      MET  16   0.547   8.763   4.317
  107    HE2  MET  16           HE2      MET  16   0.565   8.443   6.050
  108    HE3  MET  16           HE3      MET  16   0.714   7.110   4.906
  109    H    ASP  17           HN       ASP  17   3.415   7.588   0.325
  110    HA   ASP  17           HA       ASP  17   0.734   8.222  -0.242
  111    HB2  ASP  17           HB2      ASP  17   3.299   8.842  -1.708
  112    HB3  ASP  17           HB1      ASP  17   1.734   9.439  -2.251
  113    H    THR  18           HN       THR  18   3.128   6.344  -2.081
  114    HA   THR  18           HA       THR  18   1.480   5.675  -4.238
  115    HB   THR  18           HB       THR  18   3.756   4.092  -3.030
  116    HG1  THR  18           HG1      THR  18   4.554   6.024  -3.720
  117   HG21  THR  18          HG21      THR  18   2.444   3.874  -5.747
  118   HG22  THR  18          HG22      THR  18   2.417   2.656  -4.471
  119   HG23  THR  18          HG23      THR  18   3.934   3.062  -5.274
  120    H    LEU  19           HN       LEU  19   1.960   4.001  -1.129
  121    HA   LEU  19           HA       LEU  19   0.312   1.783  -1.717
  122    HG   LEU  19           HG       LEU  19  -1.014   1.509   1.053
  123    HB2  LEU  19           HB2      LEU  19   1.861   1.750   0.165
  124    HB3  LEU  19           HB1      LEU  19   0.965   3.040   0.950
  125   HD11  LEU  19          HD11      LEU  19  -0.441  -0.002  -0.737
  126   HD12  LEU  19          HD12      LEU  19  -0.602  -0.899   0.773
  127   HD13  LEU  19          HD13      LEU  19   1.000  -0.534   0.134
  128   HD21  LEU  19          HD21      LEU  19   0.403   1.848   2.994
  129   HD22  LEU  19          HD22      LEU  19   1.495   0.580   2.440
  130   HD23  LEU  19          HD23      LEU  19  -0.155   0.175   2.919
  131    H    GLN  20           HN       GLN  20  -0.339   4.947  -0.319
  132    HA   GLN  20           HA       GLN  20  -3.009   4.464   0.442
  133    HB2  GLN  20           HB2      GLN  20  -1.558   6.366   1.199
  134    HB3  GLN  20           HB1      GLN  20  -1.802   7.108  -0.377
  135    HG2  GLN  20           HG2      GLN  20  -4.172   7.282   0.032
  136    HG3  GLN  20           HG1      GLN  20  -3.996   6.425   1.562
  137   HE21  GLN  20          HE21      GLN  20  -5.042   9.094   1.020
  138   HE22  GLN  20          HE22      GLN  20  -4.077  10.186   1.966
  139    H    ILE  21           HN       ILE  21  -1.562   5.581  -2.576
  140    HA   ILE  21           HA       ILE  21  -4.073   6.022  -3.880
  141    HB   ILE  21           HB       ILE  21  -1.324   5.611  -5.076
  142   HG12  ILE  21          HG12      ILE  21  -2.865   8.149  -4.486
  143   HG13  ILE  21          HG11      ILE  21  -1.505   7.546  -3.546
  144   HG21  ILE  21          HG21      ILE  21  -2.248   6.679  -7.082
  145   HG22  ILE  21          HG22      ILE  21  -3.841   6.718  -6.323
  146   HG23  ILE  21          HG23      ILE  21  -3.084   5.171  -6.705
  147   HD11  ILE  21          HD11      ILE  21  -1.400   8.386  -6.431
  148   HD12  ILE  21          HD12      ILE  21  -0.039   7.828  -5.458
  149   HD13  ILE  21          HD13      ILE  21  -0.848   9.342  -5.056
  150    H    HIS  22           HN       HIS  22  -1.910   3.311  -3.468
  151    HA   HIS  22           HA       HIS  22  -3.047   1.576  -5.386
  152    HD1  HIS  22           HD1      HIS  22  -1.400  -1.008  -6.023
  153    HD2  HIS  22           HD2      HIS  22  -2.659  -1.391  -2.071
  154    HE1  HIS  22           HE1      HIS  22  -1.925  -3.459  -5.673
  155    HB2  HIS  22           HB2      HIS  22  -0.881   1.065  -4.450
  156    HB3  HIS  22           HB1      HIS  22  -1.539   1.010  -2.820
  157    H    VAL  23           HN       VAL  23  -3.592   1.803  -1.859
  158    HA   VAL  23           HA       VAL  23  -5.775  -0.072  -2.003
  159    HB   VAL  23           HB       VAL  23  -6.081   0.337   0.397
  160   HG11  VAL  23          HG11      VAL  23  -3.205  -0.076  -0.398
  161   HG12  VAL  23          HG12      VAL  23  -4.459  -1.312  -0.336
  162   HG13  VAL  23          HG13      VAL  23  -3.923  -0.526   1.147
  163   HG21  VAL  23          HG21      VAL  23  -5.567   2.696   0.518
  164   HG22  VAL  23          HG22      VAL  23  -3.896   2.390   0.048
  165   HG23  VAL  23          HG23      VAL  23  -4.495   1.806   1.600
  166    H    MET  24           HN       MET  24  -5.423   3.360  -2.090
  167    HA   MET  24           HA       MET  24  -6.855   5.070  -2.415
  168    HB2  MET  24           HB2      MET  24  -7.854   3.473  -4.113
  169    HB3  MET  24           HB1      MET  24  -9.053   3.063  -2.894
  170    HG2  MET  24           HG2      MET  24  -9.822   5.361  -2.839
  171    HG3  MET  24           HG1      MET  24  -8.574   5.824  -3.997
  172    HE1  MET  24           HE1      MET  24 -11.715   6.162  -6.238
  173    HE2  MET  24           HE2      MET  24 -10.211   6.907  -5.697
  174    HE3  MET  24           HE3      MET  24 -11.521   6.635  -4.549
  175    H    GLU  25           HN       GLU  25  -9.527   3.085  -1.232
  176    HA   GLU  25           HA       GLU  25  -9.265   4.138   1.437
  177    HB2  GLU  25           HB2      GLU  25 -11.369   5.134  -0.448
  178    HB3  GLU  25           HB1      GLU  25 -11.711   5.032   1.272
  179    HG2  GLU  25           HG2      GLU  25  -9.793   6.498   1.722
  180    HG3  GLU  25           HG1      GLU  25  -9.508   6.630  -0.013
  181    H    PHE  26           HN       PHE  26  -9.369   2.136   2.336
  182    HA   PHE  26           HA       PHE  26 -12.025   0.909   2.296
  183    HD1  PHE  26           HD1      PHE  26  -9.221   0.609  -0.201
  184    HD2  PHE  26           HD2      PHE  26 -12.491  -1.918   0.777
  185    HE1  PHE  26           HE1      PHE  26  -9.755   0.381  -2.591
  186    HE2  PHE  26           HE2      PHE  26 -13.029  -2.165  -1.592
  187    HZ   PHE  26           HZ       PHE  26 -11.695  -0.816  -3.303
  188    HB2  PHE  26           HB2      PHE  26  -9.418  -0.606   2.009
  189    HB3  PHE  26           HB1      PHE  26 -10.954  -1.367   2.415
  190    H    ILE  27           HN       ILE  27 -12.507   1.790   4.252
  191    HA   ILE  27           HA       ILE  27 -10.843   0.915   6.510
  192    HB   ILE  27           HB       ILE  27 -10.594   3.260   6.407
  193   HG12  ILE  27          HG12      ILE  27 -12.772   2.628   8.391
  194   HG13  ILE  27          HG11      ILE  27 -11.044   2.431   8.651
  195   HG21  ILE  27          HG21      ILE  27 -12.423   4.852   6.205
  196   HG22  ILE  27          HG22      ILE  27 -13.582   3.528   6.127
  197   HG23  ILE  27          HG23      ILE  27 -12.405   3.744   4.834
  198   HD11  ILE  27          HD11      ILE  27 -11.928   4.422   9.761
  199   HD12  ILE  27          HD12      ILE  27 -12.446   5.058   8.197
  200   HD13  ILE  27          HD13      ILE  27 -10.730   4.830   8.534
  201    H    GLU  28           HN       GLU  28 -11.875  -0.818   7.232
  202    HA   GLU  28           HA       GLU  28 -14.506  -0.503   8.383
  203    HB2  GLU  28           HB2      GLU  28 -14.941  -1.200   6.006
  204    HB3  GLU  28           HB1      GLU  28 -14.034  -2.673   6.324
  205    HG2  GLU  28           HG2      GLU  28 -15.662  -3.275   8.063
  206    HG3  GLU  28           HG1      GLU  28 -16.577  -1.816   7.689
  Start of MODEL   10
    1    HA   SER   1           HA       SER   1   8.869  -4.642   6.011
    2    HG   SER   1           HG       SER   1   9.607  -6.676   6.686
    3    H1   SER   1           HT1      SER   1  10.777  -5.572   4.875
    4    H2   SER   1           HT2      SER   1  11.660  -4.157   5.177
    5    H3   SER   1           HT3      SER   1  10.275  -4.103   4.193
    6    HB2  SER   1           HB2      SER   1  11.430  -4.726   7.626
    7    HB3  SER   1           HB1      SER   1   9.800  -4.851   8.292
    8    H    SER   2           HN       SER   2  11.540  -2.419   5.620
    9    HA   SER   2           HA       SER   2  10.289  -0.323   7.150
   10    HG   SER   2           HG       SER   2  13.546  -0.851   5.072
   11    HB2  SER   2           HB2      SER   2  12.037   1.123   6.087
   12    HB3  SER   2           HB1      SER   2  12.705  -0.290   6.904
   13    H    ASP   3           HN       ASP   3   9.836  -1.732   4.158
   14    HA   ASP   3           HA       ASP   3   8.715   0.514   2.757
   15    HB2  ASP   3           HB2      ASP   3   7.970  -1.247   1.148
   16    HB3  ASP   3           HB1      ASP   3   9.697  -1.312   1.492
   17    H    PHE   4           HN       PHE   4   6.404   0.290   1.926
   18    HA   PHE   4           HA       PHE   4   4.659  -0.595   4.130
   19    HD1  PHE   4           HD2      PHE   4   4.180   1.288   5.870
   20    HD2  PHE   4           HD1      PHE   4   5.745   3.306   2.466
   21    HE1  PHE   4           HE2      PHE   4   5.389   2.838   7.349
   22    HE2  PHE   4           HE1      PHE   4   6.959   4.860   3.938
   23    HZ   PHE   4           HZ       PHE   4   6.785   4.627   6.384
   24    HB2  PHE   4           HB2      PHE   4   4.159   1.658   2.169
   25    HB3  PHE   4           HB1      PHE   4   3.115   1.194   3.507
   26    H    CYS   5           HN       CYS   5   3.803  -2.481   3.512
   27    HA   CYS   5           HA       CYS   5   3.245  -2.918   0.678
   28    HG   CYS   5           HG       CYS   5   2.356  -5.189   4.107
   29    HB2  CYS   5           HB2      CYS   5   3.031  -5.327   1.419
   30    HB3  CYS   5           HB1      CYS   5   4.628  -4.610   1.606
   31    H    CYS   6           HN       CYS   6   1.256  -3.573  -0.089
   32    HA   CYS   6           HA       CYS   6  -1.064  -2.816   1.403
   33    HB2  CYS   6           HB2      CYS   6  -1.021  -2.683  -1.062
   34    HB3  CYS   6           HB1      CYS   6  -0.850  -4.431  -1.156
   35    HA   PRO   7           HA       PRO   7  -1.082  -6.638   3.694
   36    HB2  PRO   7           HB2      PRO   7  -3.322  -6.154   5.145
   37    HB3  PRO   7           HB1      PRO   7  -1.768  -5.391   5.494
   38    HG2  PRO   7           HG2      PRO   7  -4.129  -4.288   4.021
   39    HG3  PRO   7           HG1      PRO   7  -3.084  -3.498   5.217
   40    HD2  PRO   7           HD2      PRO   7  -2.821  -3.103   2.546
   41    HD3  PRO   7           HD1      PRO   7  -1.446  -3.041   3.669
   42    H    LYS   8           HN       LYS   8  -3.175  -5.699   1.309
   43    HA   LYS   8           HA       LYS   8  -4.862  -8.095   1.527
   44    HB2  LYS   8           HB2      LYS   8  -5.231  -5.636  -0.202
   45    HB3  LYS   8           HB1      LYS   8  -6.367  -6.965  -0.034
   46    HG2  LYS   8           HG2      LYS   8  -6.902  -6.366   2.180
   47    HG3  LYS   8           HG1      LYS   8  -5.526  -5.263   2.287
   48    HD2  LYS   8           HD2      LYS   8  -6.532  -3.769   0.692
   49    HD3  LYS   8           HD1      LYS   8  -7.846  -4.905   0.392
   50    HE2  LYS   8           HE2      LYS   8  -7.310  -3.715   3.101
   51    HE3  LYS   8           HE1      LYS   8  -8.370  -2.951   1.918
   52    HZ1  LYS   8           HZ1      LYS   8  -9.608  -4.307   3.491
   53    HZ2  LYS   8           HZ2      LYS   8  -8.726  -5.685   3.041
   54    HZ3  LYS   8           HZ3      LYS   8  -9.750  -4.931   1.919
   55    H    CYS   9           HN       CYS   9  -2.050  -7.130   0.118
   56    HA   CYS   9           HA       CYS   9  -2.411  -8.869  -2.211
   57    HB2  CYS   9           HB2      CYS   9  -1.315  -6.053  -2.380
   58    HB3  CYS   9           HB1      CYS   9  -1.372  -7.208  -3.705
   59    H    GLN  10           HN       GLN  10  -0.195  -8.968  -3.417
   60    HA   GLN  10           HA       GLN  10   1.953  -9.179  -1.420
   61    HB2  GLN  10           HB2      GLN  10   1.714 -10.374  -4.195
   62    HB3  GLN  10           HB1      GLN  10   3.093 -10.586  -3.122
   63    HG2  GLN  10           HG2      GLN  10   0.275 -11.519  -2.630
   64    HG3  GLN  10           HG1      GLN  10   1.665 -12.526  -3.041
   65   HE21  GLN  10          HE21      GLN  10   3.504 -11.038  -1.333
   66   HE22  GLN  10          HE22      GLN  10   3.100 -11.479   0.293
   67    H    TYR  11           HN       TYR  11   1.547  -6.684  -1.856
   68    HA   TYR  11           HA       TYR  11   3.465  -5.816  -3.909
   69    HD1  TYR  11           HD1      TYR  11   2.794  -4.280  -6.321
   70    HD2  TYR  11           HD2      TYR  11   1.395  -2.299  -2.828
   71    HE1  TYR  11           HE1      TYR  11   3.524  -2.131  -7.256
   72    HE2  TYR  11           HE2      TYR  11   2.124  -0.136  -3.752
   73    HH   TYR  11           HH       TYR  11   2.930   0.285  -6.995
   74    HB2  TYR  11           HB2      TYR  11   1.224  -5.372  -4.757
   75    HB3  TYR  11           HB1      TYR  11   0.780  -4.575  -3.252
   76    H    GLN  12           HN       GLN  12   5.067  -4.690  -3.044
   77    HA   GLN  12           HA       GLN  12   4.570  -3.266  -0.518
   78    HB2  GLN  12           HB2      GLN  12   6.997  -3.311  -0.173
   79    HB3  GLN  12           HB1      GLN  12   6.349  -4.931  -0.367
   80    HG2  GLN  12           HG2      GLN  12   7.166  -5.016  -2.646
   81    HG3  GLN  12           HG1      GLN  12   7.737  -3.354  -2.520
   82   HE21  GLN  12          HE21      GLN  12   7.991  -5.638   0.102
   83   HE22  GLN  12          HE22      GLN  12   9.710  -5.809   0.045
   84    H    ALA  13           HN       ALA  13   4.814  -1.110  -0.406
   85    HA   ALA  13           HA       ALA  13   5.730   0.276  -2.841
   86    HB1  ALA  13           HB1      ALA  13   3.349   0.617  -2.400
   87    HB2  ALA  13           HB2      ALA  13   4.251   2.122  -2.206
   88    HB3  ALA  13           HB3      ALA  13   3.730   1.218  -0.784
   89    HA   PRO  14           HA       PRO  14   8.918   1.906  -0.238
   90    HB2  PRO  14           HB2      PRO  14   9.916   3.768  -1.887
   91    HB3  PRO  14           HB1      PRO  14  10.092   2.040  -2.223
   92    HG2  PRO  14           HG2      PRO  14   8.141   4.004  -3.366
   93    HG3  PRO  14           HG1      PRO  14   9.070   2.739  -4.193
   94    HD2  PRO  14           HD2      PRO  14   6.446   2.469  -3.450
   95    HD3  PRO  14           HD1      PRO  14   7.566   1.103  -3.627
   96    H    ASP  15           HN       ASP  15   6.069   3.469  -0.858
   97    HA   ASP  15           HA       ASP  15   6.675   5.579   1.041
   98    HB2  ASP  15           HB2      ASP  15   7.187   6.576  -1.169
   99    HB3  ASP  15           HB1      ASP  15   5.547   6.207  -1.691
  100    H    MET  16           HN       MET  16   4.857   6.407   2.066
  101    HA   MET  16           HA       MET  16   2.721   4.517   2.250
  102    HB2  MET  16           HB2      MET  16   1.822   6.004   4.004
  103    HB3  MET  16           HB1      MET  16   3.507   5.584   4.261
  104    HG2  MET  16           HG2      MET  16   4.178   7.766   3.379
  105    HG3  MET  16           HG1      MET  16   2.481   8.184   3.148
  106    HE1  MET  16           HE1      MET  16   3.659  10.408   6.185
  107    HE2  MET  16           HE2      MET  16   2.998  10.420   4.549
  108    HE3  MET  16           HE3      MET  16   4.661   9.900   4.826
  109    H    ASP  17           HN       ASP  17   3.055   7.679   0.721
  110    HA   ASP  17           HA       ASP  17   0.229   8.047   0.373
  111    HB2  ASP  17           HB2      ASP  17   1.850   9.945   0.336
  112    HB3  ASP  17           HB1      ASP  17   2.472   9.338  -1.197
  113    H    THR  18           HN       THR  18   2.874   6.785  -1.560
  114    HA   THR  18           HA       THR  18   1.446   6.162  -3.895
  115    HB   THR  18           HB       THR  18   3.708   4.524  -2.728
  116    HG1  THR  18           HG1      THR  18   3.681   7.070  -3.959
  117   HG21  THR  18          HG21      THR  18   2.632   3.526  -4.674
  118   HG22  THR  18          HG22      THR  18   4.246   4.104  -5.096
  119   HG23  THR  18          HG23      THR  18   2.825   5.032  -5.573
  120    H    LEU  19           HN       LEU  19   1.883   4.418  -0.853
  121    HA   LEU  19           HA       LEU  19   0.590   2.031  -1.592
  122    HG   LEU  19           HG       LEU  19  -0.874   1.475   1.074
  123    HB2  LEU  19           HB2      LEU  19   1.973   2.233   0.423
  124    HB3  LEU  19           HB1      LEU  19   0.794   3.321   1.133
  125   HD11  LEU  19          HD11      LEU  19  -0.094  -0.811   0.724
  126   HD12  LEU  19          HD12      LEU  19   1.498  -0.201   0.266
  127   HD13  LEU  19          HD13      LEU  19   0.090   0.165  -0.734
  128   HD21  LEU  19          HD21      LEU  19   0.365   1.968   3.105
  129   HD22  LEU  19          HD22      LEU  19   1.671   0.902   2.584
  130   HD23  LEU  19          HD23      LEU  19   0.079   0.235   2.952
  131    H    GLN  20           HN       GLN  20  -0.646   5.016  -0.111
  132    HA   GLN  20           HA       GLN  20  -3.291   4.172   0.264
  133    HB2  GLN  20           HB2      GLN  20  -2.228   6.943  -0.301
  134    HB3  GLN  20           HB1      GLN  20  -3.865   6.595   0.234
  135    HG2  GLN  20           HG2      GLN  20  -1.325   6.061   1.759
  136    HG3  GLN  20           HG1      GLN  20  -2.515   7.316   2.097
  137   HE21  GLN  20          HE21      GLN  20  -1.560   5.183   3.815
  138   HE22  GLN  20          HE22      GLN  20  -2.950   4.260   4.268
  139    H    ILE  21           HN       ILE  21  -1.656   5.439  -2.571
  140    HA   ILE  21           HA       ILE  21  -3.973   5.715  -4.191
  141    HB   ILE  21           HB       ILE  21  -1.111   5.221  -5.041
  142   HG12  ILE  21          HG12      ILE  21  -2.658   7.807  -4.769
  143   HG13  ILE  21          HG11      ILE  21  -1.433   7.239  -3.639
  144   HG21  ILE  21          HG21      ILE  21  -1.796   6.181  -7.188
  145   HG22  ILE  21          HG22      ILE  21  -3.456   6.298  -6.608
  146   HG23  ILE  21          HG23      ILE  21  -2.707   4.717  -6.820
  147   HD11  ILE  21          HD11      ILE  21  -0.536   8.925  -5.139
  148   HD12  ILE  21          HD12      ILE  21  -0.973   7.935  -6.532
  149   HD13  ILE  21          HD13      ILE  21   0.253   7.369  -5.398
  150    H    HIS  22           HN       HIS  22  -1.629   3.101  -3.709
  151    HA   HIS  22           HA       HIS  22  -2.667   1.289  -5.573
  152    HD1  HIS  22           HD1      HIS  22  -0.710  -1.283  -6.029
  153    HD2  HIS  22           HD2      HIS  22  -2.524  -1.541  -2.290
  154    HE1  HIS  22           HE1      HIS  22  -1.264  -3.730  -5.670
  155    HB2  HIS  22           HB2      HIS  22  -0.512   0.867  -4.595
  156    HB3  HIS  22           HB1      HIS  22  -1.194   0.825  -2.973
  157    H    VAL  23           HN       VAL  23  -3.432   1.742  -2.127
  158    HA   VAL  23           HA       VAL  23  -5.345  -0.352  -2.045
  159    HB   VAL  23           HB       VAL  23  -5.342   2.051  -0.225
  160   HG11  VAL  23          HG11      VAL  23  -6.297   0.465   1.379
  161   HG12  VAL  23          HG12      VAL  23  -6.225  -0.805   0.156
  162   HG13  VAL  23          HG13      VAL  23  -7.287   0.584  -0.076
  163   HG21  VAL  23          HG21      VAL  23  -3.737  -0.493   0.076
  164   HG22  VAL  23          HG22      VAL  23  -3.828   0.829   1.241
  165   HG23  VAL  23          HG23      VAL  23  -3.074   1.089  -0.332
  166    H    MET  24           HN       MET  24  -5.667   3.166  -2.335
  167    HA   MET  24           HA       MET  24  -7.153   4.482  -3.413
  168    HB2  MET  24           HB2      MET  24  -6.942   2.888  -5.279
  169    HB3  MET  24           HB1      MET  24  -8.244   1.924  -4.599
  170    HG2  MET  24           HG2      MET  24  -9.096   3.266  -6.395
  171    HG3  MET  24           HG1      MET  24  -9.768   3.834  -4.867
  172    HE1  MET  24           HE1      MET  24 -10.545   6.106  -5.939
  173    HE2  MET  24           HE2      MET  24  -9.944   5.556  -7.503
  174    HE3  MET  24           HE3      MET  24  -9.496   7.151  -6.899
  175    H    GLU  25           HN       GLU  25  -8.764   1.546  -2.214
  176    HA   GLU  25           HA       GLU  25 -10.947   3.258  -1.219
  177    HB2  GLU  25           HB2      GLU  25 -11.040   0.355  -2.029
  178    HB3  GLU  25           HB1      GLU  25 -12.382   1.302  -1.408
  179    HG2  GLU  25           HG2      GLU  25 -12.493   2.625  -3.344
  180    HG3  GLU  25           HG1      GLU  25 -10.913   2.073  -3.902
  181    H    PHE  26           HN       PHE  26 -10.995   3.442   0.908
  182    HA   PHE  26           HA       PHE  26  -9.840   1.263   2.522
  183    HD1  PHE  26           HD1      PHE  26  -7.538   2.262   1.496
  184    HD2  PHE  26           HD2      PHE  26  -9.443   5.912   2.593
  185    HE1  PHE  26           HE1      PHE  26  -6.209   3.459  -0.173
  186    HE2  PHE  26           HE2      PHE  26  -8.091   7.113   0.932
  187    HZ   PHE  26           HZ       PHE  26  -6.467   5.892  -0.454
  188    HB2  PHE  26           HB2      PHE  26 -10.050   3.997   3.674
  189    HB3  PHE  26           HB1      PHE  26  -8.783   2.787   3.869
  190    H    ILE  27           HN       ILE  27 -12.547   3.212   1.854
  191    HA   ILE  27           HA       ILE  27 -14.728   3.031   2.423
  192    HB   ILE  27           HB       ILE  27 -13.984   0.803   4.328
  193   HG12  ILE  27          HG12      ILE  27 -13.158   0.290   2.074
  194   HG13  ILE  27          HG11      ILE  27 -14.528  -0.736   2.483
  195   HG21  ILE  27          HG21      ILE  27 -16.578   1.519   2.964
  196   HG22  ILE  27          HG22      ILE  27 -16.219   1.668   4.684
  197   HG23  ILE  27          HG23      ILE  27 -16.307   0.074   3.937
  198   HD11  ILE  27          HD11      ILE  27 -14.638   0.053   0.175
  199   HD12  ILE  27          HD12      ILE  27 -14.642   1.722   0.747
  200   HD13  ILE  27          HD13      ILE  27 -15.992   0.657   1.132
  201    H    GLU  28           HN       GLU  28 -12.271   3.843   4.477
  202    HA   GLU  28           HA       GLU  28 -14.113   5.510   5.998
  203    HB2  GLU  28           HB2      GLU  28 -11.915   3.851   7.257
  204    HB3  GLU  28           HB1      GLU  28 -12.737   5.170   8.073
  205    HG2  GLU  28           HG2      GLU  28 -14.879   3.923   7.744
  206    HG3  GLU  28           HG1      GLU  28 -13.919   2.569   7.148