*HEADER    CYTOKINE                                16-MAR-01   1I8Y              
*TITLE     SEMI-AUTOMATIC STRUCTURE DETERMINATION OF THE CG1 3-30                
*TITLE    2 PEPTIDE BASED ON ARIA                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GRANULIN-1;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINUS (RESIDUES 3-30);                                
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED BY             
*SOURCE   4 SOLID PHASE SYNTHESIS. THE SEQUENCE OF THE PEPTIDE IS                
*SOURCE   5 NATURALLY FOUND IN CYPRINUS CARPIO (CARP).                           
*KEYWDS    BETA-HAIRPIN STACK                                                    
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    W.F.VRANKEN, S.JAMES, H.P.J.BENNETT, F.NI                             
*REVDAT   1   17-APR-02 1I8Y    0                                                
 ASSI {    1}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak     1 weight  0.10000E+01 volume  0.31838E-02 ppm1      7.478 ppm2      4.893 CV     1
 OR {    1}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {    8}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 17   and name HB1 ))
      3.800     1.800     1.800 peak     8 weight  0.10000E+01 volume  0.84606E-03 ppm1      7.085 ppm2      4.263 CV     1
 OR {    8}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
 ASSI {   35}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      4.000     2.000     2.000 peak    35 weight  0.10000E+01 volume  0.11203E-02 ppm1      4.922 ppm2      2.854 CV     1
 OR {   35}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {   37}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 16   and name HD1%)
      3.500     1.600     1.600 peak    37 weight  0.10000E+01 volume  0.83924E-03 ppm1      4.306 ppm2     -0.241 CV     1
 OR {   37}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 16   and name HD1%)
 OR {   37}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {   37}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {   41}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HD1 ))
      2.100     0.600     0.600 peak    41 weight  0.10000E+01 volume  0.70132E-02 ppm1      4.862 ppm2      3.800 CV     1
 OR {   41}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {   42}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HD1 ))
      2.200     0.600     0.600 peak    42 weight  0.10000E+01 volume  0.12784E-01 ppm1      4.859 ppm2      3.907 CV     1
 OR {   42}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
 OR {   42}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HG1 ))
 OR {   42}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HG2 ))
 ASSI {   43}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.000     1.100     1.100 peak    43 weight  0.10000E+01 volume  0.15261E-02 ppm1      4.542 ppm2      3.667 CV     1
 OR {   43}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI {   44}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HD2 ))
      2.700     0.900     0.900 peak    44 weight  0.10000E+01 volume  0.67416E-02 ppm1      4.262 ppm2      3.623 CV     1
 OR {   44}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HD2 ))
 ASSI {   50}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 23   and name HD% )
      3.900     1.900     1.900 peak    50 weight  0.10000E+01 volume  0.88071E-03 ppm1      4.854 ppm2      7.162 CV     1
 OR {   50}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 23   and name HD% )
 ASSI {   54}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HD% )
      3.400     1.400     1.400 peak    54 weight  0.10000E+01 volume  0.20275E-02 ppm1      4.917 ppm2      7.173 CV     1
 OR {   54}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 27   and name HD% )
 ASSI {   58}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 22   and name HE3 ))
      3.400     1.400     1.400 peak    58 weight  0.10000E+01 volume  0.61016E-03 ppm1      2.979 ppm2      7.470 CV     1
 OR {   58}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 22   and name HE3 ))
 ASSI {   62}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 23   and name HD% )
      2.600     0.800     0.800 peak    62 weight  0.10000E+01 volume  0.44009E-02 ppm1      2.992 ppm2      7.165 CV     1
 OR {   62}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HD% )
 ASSI {   63}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 23   and name HD% )
      3.200     1.200     1.200 peak    63 weight  0.10000E+01 volume  0.13310E-02 ppm1      3.100 ppm2      7.171 CV     1
 OR {   63}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 27   and name HD% )
 ASSI {   70}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 25   and name HA  ))
      2.500     0.800     0.800 peak    70 weight  0.10000E+01 volume  0.30297E-02 ppm1      3.804 ppm2      4.860 CV     1
 OR {   70}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
 OR {   70}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {   71}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak    71 weight  0.10000E+01 volume  0.44526E-02 ppm1      3.617 ppm2      4.847 CV     1
 OR {   71}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
 OR {   71}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {   74}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 9    and name HD2 ))
      3.100     1.200     1.200 peak    74 weight  0.10000E+01 volume  0.26005E-02 ppm1      2.851 ppm2      3.669 CV     1
 OR {   74}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {   75}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.600     0.900     0.900 peak    75 weight  0.10000E+01 volume  0.44249E-02 ppm1      3.087 ppm2      3.678 CV     1
 OR {   75}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {   75}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {   75}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {   77}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 12   and name HB  ))
      2.900     1.000     1.000 peak    77 weight  0.10000E+01 volume  0.17217E-02 ppm1      3.087 ppm2      3.581 CV     1
 OR {   77}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {   78}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 24   and name HB1 ))
      2.900     1.100     1.100 peak    78 weight  0.10000E+01 volume  0.14911E-02 ppm1      2.433 ppm2      3.074 CV     1
 OR {   78}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {   80}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 24   and name HB1 ))
      2.500     0.800     0.800 peak    80 weight  0.10000E+01 volume  0.57064E-02 ppm1      3.694 ppm2      3.085 CV     1
 OR {   80}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 24   and name HB1 ))
 OR {   80}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {   81}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.000     2.000     2.000 peak    81 weight  0.10000E+01 volume  0.91591E-03 ppm1      3.838 ppm2      3.085 CV     1
 OR {   81}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 24   and name HB1 ))
 OR {   81}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR {   81}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {   81}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {   81}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {   92}
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 12   and name HG2%)
      4.000     2.000     2.000 peak    92 weight  0.10000E+01 volume  0.10152E-02 ppm1      3.681 ppm2      0.826 CV     1
 OR {   92}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 12   and name HG2%)
 OR {   92}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 12   and name HG2%)
 ASSI {   93}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 16   and name HG  ))
      3.700     1.800     1.800 peak    93 weight  0.10000E+01 volume  0.54898E-03 ppm1      3.441 ppm2      0.906 CV     1
 OR {   93}
   (( segid "    " and resid 20   and name HA2 ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  112}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak   112 weight  0.10000E+01 volume  0.11019E-02 ppm1     -0.227 ppm2      4.288 CV     1
 OR {  112}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 17   and name HB1 ))
 OR {  112}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
 OR {  112}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  112}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  112}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {    2}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak     2 weight  0.10000E+01 volume  0.18260E-02 ppm1      9.642 ppm2      8.823 CV     1
 OR {    2}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {    4}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      5.400     3.600     0.600 peak     4 weight  0.10000E+01 volume  0.64706E-04 ppm1      8.813 ppm2      9.385 CV     1
 OR {    4}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {   22}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG1%)
      4.000     2.000     2.000 peak    22 weight  0.10000E+01 volume  0.95378E-03 ppm1      8.808 ppm2      0.818 CV     1
 OR {   22}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
 OR {   22}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
 ASSI {   32}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.900     1.900     1.900 peak    32 weight  0.10000E+01 volume  0.60722E-03 ppm1      9.107 ppm2      1.930 CV     1
 OR {   32}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {   34}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.800     1.800     1.800 peak    34 weight  0.10000E+01 volume  0.14844E-02 ppm1      9.391 ppm2      2.972 CV     1
 OR {   34}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {   35}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.500     1.500     1.500 peak    35 weight  0.10000E+01 volume  0.10242E-02 ppm1      9.376 ppm2      3.057 CV     1
 OR {   35}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 OR {   35}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {   37}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.500     1.500     1.500 peak    37 weight  0.10000E+01 volume  0.86409E-03 ppm1      8.738 ppm2      3.012 CV     1
 OR {   37}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
 OR {   37}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {   40}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.800     1.800     1.800 peak    40 weight  0.10000E+01 volume  0.84478E-03 ppm1      8.808 ppm2      3.818 CV     1
 OR {   40}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {   41}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
      4.200     2.200     1.800 peak    41 weight  0.10000E+01 volume  0.88528E-03 ppm1      8.810 ppm2      3.915 CV     1
 OR {   41}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {   41}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HG1 ))
 OR {   41}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
 ASSI {   52}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak    52 weight  0.10000E+01 volume  0.13279E-02 ppm1      9.636 ppm2      4.814 CV     1
 OR {   52}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {   61}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 23   and name HD% )
      3.400     1.400     1.400 peak    61 weight  0.10000E+01 volume  0.16189E-02 ppm1      9.107 ppm2      7.167 CV     1
 OR {   61}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 22   and name HH2 ))
 ASSI {   80}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.500     1.500 peak    80 weight  0.10000E+01 volume  0.11876E-02 ppm1      8.631 ppm2      4.799 CV     1
 OR {   80}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {   86}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak    86 weight  0.10000E+01 volume  0.46556E-02 ppm1      7.903 ppm2      4.907 CV     1
 OR {   86}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 OR {   86}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {   88}
   (( segid "    " and resid 1    and name HE1 ))
   (( segid "    " and resid 14   and name HA  ))
      5.500     3.800     0.500 peak    88 weight  0.10000E+01 volume  0.64706E-04 ppm1      7.791 ppm2      4.803 CV     1
 OR {   88}
   (( segid "    " and resid 1    and name HE1 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {   91}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.600     1.700     1.700 peak    91 weight  0.10000E+01 volume  0.10864E-02 ppm1      8.263 ppm2      3.990 CV     1
 OR {   91}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {   93}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.300     0.700     0.700 peak    93 weight  0.10000E+01 volume  0.10082E-01 ppm1      8.317 ppm2      4.119 CV     1
 OR {   93}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {   94}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.500     1.500 peak    94 weight  0.10000E+01 volume  0.11175E-02 ppm1      8.092 ppm2      4.014 CV     1
 OR {   94}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI {   97}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.600     1.600 peak    97 weight  0.10000E+01 volume  0.10434E-02 ppm1      7.893 ppm2      4.297 CV     1
 OR {   97}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 OR {   97}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  101}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.900     1.900     1.900 peak   101 weight  0.10000E+01 volume  0.65132E-03 ppm1      7.909 ppm2      3.805 CV     1
 OR {  101}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  101}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  102}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.600     1.700     1.700 peak   102 weight  0.10000E+01 volume  0.11479E-02 ppm1      8.636 ppm2      3.675 CV     1
 OR {  102}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR {  102}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI {  105}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA1 ))
      4.000     2.000     2.000 peak   105 weight  0.10000E+01 volume  0.59719E-03 ppm1      7.955 ppm2      3.652 CV     1
 OR {  105}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  107}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.600     1.600     1.600 peak   107 weight  0.10000E+01 volume  0.84588E-03 ppm1      8.633 ppm2      3.097 CV     1
 OR {  107}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 OR {  107}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  118}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.200     1.300     1.300 peak   118 weight  0.10000E+01 volume  0.18378E-02 ppm1      7.908 ppm2      1.925 CV     1
 OR {  118}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
 ASSI {  124}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.000     2.000     2.000 peak   124 weight  0.10000E+01 volume  0.79436E-03 ppm1      7.891 ppm2      0.909 CV     1
 OR {  124}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HG  ))
 ASSI {  125}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      2.700     0.900     0.900 peak   125 weight  0.10000E+01 volume  0.44638E-02 ppm1      7.947 ppm2      0.819 CV     1
 OR {  125}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
 ASSI {  129}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 16   and name HD1%)
      3.300     1.300     1.300 peak   129 weight  0.10000E+01 volume  0.19350E-02 ppm1      7.338 ppm2     -0.243 CV     1
 OR {  129}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
 OR {  129}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  133}
   (( segid "    " and resid 22   and name HH2 ))
   (  segid "    " and resid 16   and name HD2%)
      2.700     0.900     0.900 peak   133 weight  0.10000E+01 volume  0.15167E-02 ppm1      7.173 ppm2      0.362 CV     1
 OR {  133}
   (  segid "    " and resid 23   and name HD% )
   (  segid "    " and resid 16   and name HD2%)
 ASSI {  135}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
      4.100     2.100     1.900 peak   135 weight  0.10000E+01 volume  0.55390E-03 ppm1      7.341 ppm2      0.361 CV     1
 OR {  135}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 16   and name HD2%)
 ASSI {  144}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak   144 weight  0.10000E+01 volume  0.67446E-03 ppm1      7.343 ppm2      0.940 CV     1
 OR {  144}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 21   and name HG2%)
 OR {  144}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HG  ))
 ASSI {  146}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 21   and name HB  ))
      3.500     1.600     1.600 peak   146 weight  0.10000E+01 volume  0.70649E-03 ppm1      7.186 ppm2      1.916 CV     1
 OR {  146}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  147}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 18   and name HG2 ))
      3.300     1.300     1.300 peak   147 weight  0.10000E+01 volume  0.79595E-03 ppm1      7.096 ppm2      1.911 CV     1
 OR {  147}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 21   and name HB  ))
 ASSI {  163}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   163 weight  0.10000E+01 volume  0.84076E-03 ppm1      7.189 ppm2      3.581 CV     1
 OR {  163}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  167}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 13   and name HB  ))
      2.800     0.900     0.900 peak   167 weight  0.10000E+01 volume  0.14061E-02 ppm1      7.290 ppm2      3.824 CV     1
 OR {  167}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 26   and name HD2 ))
 OR {  167}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 28   and name HB2 ))
 OR {  167}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  169}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 26   and name HD2 ))
      3.600     1.600     1.600 peak   169 weight  0.10000E+01 volume  0.64048E-03 ppm1      7.222 ppm2      3.819 CV     1
 OR {  169}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 28   and name HB2 ))
 OR {  169}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 13   and name HB  ))
 OR {  169}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  170}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 26   and name HD2 ))
      3.600     1.600     1.600 peak   170 weight  0.10000E+01 volume  0.72622E-03 ppm1      7.188 ppm2      3.832 CV     1
 OR {  170}
   (( segid "    " and resid 22   and name HH2 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  170}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 28   and name HB2 ))
 OR {  170}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 16   and name HA  ))
 OR {  170}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  171}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 17   and name HB2 ))
      3.500     1.500     1.500 peak   171 weight  0.10000E+01 volume  0.15681E-02 ppm1      7.087 ppm2      4.281 CV     1
 OR {  171}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  173}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak   173 weight  0.10000E+01 volume  0.20312E-02 ppm1      7.213 ppm2      4.663 CV     1
 OR {  173}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  175}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.000     1.000 peak   175 weight  0.10000E+01 volume  0.34833E-02 ppm1      7.479 ppm2      4.891 CV     1
 OR {  175}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  177}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 24   and name HA  ))
      2.900     1.000     1.000 peak   177 weight  0.10000E+01 volume  0.29891E-02 ppm1      7.183 ppm2      4.851 CV     1
 OR {  177}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
 OR {  177}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 25   and name HA  ))
 OR {  177}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 17   and name HA  ))
 OR {  177}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  189}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 22   and name HN  ))
      4.500     2.500     1.500 peak   189 weight  0.10000E+01 volume  0.59188E-03 ppm1      7.470 ppm2      8.812 CV     1
 OR {  189}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 24   and name HN  ))
 OR {  189}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  201}
   (  segid "    " and resid 23   and name HE% )
   (  segid "    " and resid 21   and name HG2%)
      3.200     1.300     1.300 peak   201 weight  0.10000E+01 volume  0.57280E-03 ppm1      6.631 ppm2      0.938 CV     1
 OR {  201}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 16   and name HG  ))
 ASSI {  215}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.400     1.400 peak   215 weight  0.10000E+01 volume  0.13814E-02 ppm1      3.690 ppm2      8.810 CV     1
 OR {  215}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
 OR {  215}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  216}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak   216 weight  0.10000E+01 volume  0.11561E-02 ppm1      3.663 ppm2      8.719 CV     1
 OR {  216}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  221}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.100     1.100 peak   221 weight  0.10000E+01 volume  0.17857E-02 ppm1      3.580 ppm2      8.811 CV     1
 OR {  221}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  222}
   (( segid "    " and resid 11   and name HA1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   222 weight  0.10000E+01 volume  0.13878E-02 ppm1      3.607 ppm2      8.816 CV     1
 OR {  222}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  236}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HD1 ))
      1.700     0.400     0.500 peak   236 weight  0.10000E+01 volume  0.16885E-01 ppm1      3.674 ppm2      3.843 CV     1
 OR {  236}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HD2 ))
 ASSI {  243}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HD2 ))
      1.900     0.400     0.400 peak   243 weight  0.10000E+01 volume  0.10065E-01 ppm1      3.917 ppm2      3.610 CV     1
 OR {  243}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  244}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HD2 ))
      2.000     0.500     0.500 peak   244 weight  0.10000E+01 volume  0.86415E-02 ppm1      3.850 ppm2      3.671 CV     1
 OR {  244}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR {  244}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  244}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  246}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 24   and name HB1 ))
      3.200     1.300     1.300 peak   246 weight  0.10000E+01 volume  0.16211E-02 ppm1      3.693 ppm2      3.078 CV     1
 OR {  246}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  247}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 24   and name HB1 ))
      2.700     0.900     0.900 peak   247 weight  0.10000E+01 volume  0.28173E-02 ppm1      3.664 ppm2      3.077 CV     1
 OR {  247}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  257}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HB1 ))
      3.300     1.400     1.400 peak   257 weight  0.10000E+01 volume  0.96962E-03 ppm1      3.910 ppm2      2.222 CV     1
 OR {  257}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HB1 ))
 OR {  257}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HB1 ))
 OR {  257}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  261}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak   261 weight  0.10000E+01 volume  0.58166E-02 ppm1      3.914 ppm2      1.933 CV     1
 OR {  261}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HB2 ))
 OR {  261}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  261}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  282}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 8    and name HB1 ))
      2.300     0.700     0.700 peak   282 weight  0.10000E+01 volume  0.59607E-02 ppm1      3.106 ppm2      3.672 CV     1
 OR {  282}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  282}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  283}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 8    and name HB1 ))
      2.200     0.600     0.600 peak   283 weight  0.10000E+01 volume  0.90793E-02 ppm1      3.077 ppm2      3.671 CV     1
 OR {  283}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  283}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  283}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  285}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 8    and name HB1 ))
      2.600     0.800     0.800 peak   285 weight  0.10000E+01 volume  0.43044E-02 ppm1      2.855 ppm2      3.670 CV     1
 OR {  285}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI {  287}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 9    and name HD1 ))
      3.100     1.200     1.200 peak   287 weight  0.10000E+01 volume  0.10448E-02 ppm1      3.078 ppm2      3.840 CV     1
 OR {  287}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 13   and name HB  ))
 OR {  287}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 13   and name HB  ))
 OR {  287}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
 OR {  287}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  296}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 23   and name HD% )
      2.600     0.900     0.900 peak   296 weight  0.10000E+01 volume  0.39897E-02 ppm1      3.078 ppm2      7.170 CV     1
 OR {  296}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 27   and name HD% )
 ASSI {  297}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 23   and name HD% )
      2.500     0.800     0.800 peak   297 weight  0.10000E+01 volume  0.53741E-02 ppm1      3.005 ppm2      7.172 CV     1
 OR {  297}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 27   and name HD% )
 ASSI {  310}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.700     1.700     1.700 peak   310 weight  0.10000E+01 volume  0.92943E-03 ppm1      3.001 ppm2      7.891 CV     1
 OR {  310}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  316}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.100     1.100 peak   316 weight  0.10000E+01 volume  0.24315E-02 ppm1      2.857 ppm2      8.777 CV     1
 OR {  316}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  318}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   318 weight  0.10000E+01 volume  0.39331E-02 ppm1      3.104 ppm2      8.802 CV     1
 OR {  318}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
 OR {  318}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
 OR {  318}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  322}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.400     1.400 peak   322 weight  0.10000E+01 volume  0.98831E-03 ppm1      3.075 ppm2      9.634 CV     1
 OR {  322}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  323}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   323 weight  0.10000E+01 volume  0.90677E-03 ppm1      2.975 ppm2      9.641 CV     1
 OR {  323}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  334}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      4.000     2.000     2.000 peak   334 weight  0.10000E+01 volume  0.73645E-03 ppm1      2.241 ppm2      7.894 CV     1
 OR {  334}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  350}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 21   and name HB  ))
      2.400     0.700     0.700 peak   350 weight  0.10000E+01 volume  0.79205E-02 ppm1      0.833 ppm2      1.909 CV     1
 OR {  350}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
 OR {  350}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
 ASSI {  353}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 2    and name HB1 ))
      2.800     1.000     1.000 peak   353 weight  0.10000E+01 volume  0.45500E-02 ppm1      1.104 ppm2      2.995 CV     1
 OR {  353}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 2    and name HB2 ))
 OR {  353}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  354}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.400     1.400 peak   354 weight  0.10000E+01 volume  0.21012E-02 ppm1      0.951 ppm2      3.087 CV     1
 OR {  354}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  355}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 23   and name HB1 ))
      3.400     1.500     1.500 peak   355 weight  0.10000E+01 volume  0.23070E-02 ppm1      0.827 ppm2      3.082 CV     1
 OR {  355}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 24   and name HB1 ))
 OR {  355}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  357}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 22   and name HB1 ))
      3.600     1.600     1.600 peak   357 weight  0.10000E+01 volume  0.12332E-02 ppm1      0.822 ppm2      3.334 CV     1
 OR {  357}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 19   and name HB1 ))
 ASSI {  361}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak   361 weight  0.10000E+01 volume  0.17332E-02 ppm1      1.042 ppm2      4.896 CV     1
 OR {  361}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  370}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   370 weight  0.10000E+01 volume  0.51051E-02 ppm1      0.825 ppm2      7.945 CV     1
 OR {  370}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
 OR {  370}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  383}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 22   and name HN  ))
      3.900     1.900     1.900 peak   383 weight  0.10000E+01 volume  0.11240E-02 ppm1      0.826 ppm2      8.804 CV     1
 OR {  383}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI {    4}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.300     1.300 peak     4 weight  0.10000E+01 volume  0.22799E-02 ppm1      6.623 ppm2      4.847 CV     1
 ASSI {    6}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 17   and name HB2 ))
      3.000     1.100     1.100 peak     6 weight  0.10000E+01 volume  0.20765E-02 ppm1      6.612 ppm2      3.956 CV     1
 ASSI {    7}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.600     1.600 peak     7 weight  0.10000E+01 volume  0.20834E-02 ppm1      7.176 ppm2      3.957 CV     1
 ASSI {   13}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.600     1.600     1.600 peak    13 weight  0.10000E+01 volume  0.21918E-02 ppm1      7.333 ppm2      3.302 CV     1
 ASSI {   14}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 22   and name HB1 ))
      2.400     0.700     0.700 peak    14 weight  0.10000E+01 volume  0.49707E-02 ppm1      7.484 ppm2      3.303 CV     1
 ASSI {   16}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak    16 weight  0.10000E+01 volume  0.96377E-03 ppm1      7.486 ppm2      2.956 CV     1
 ASSI {   18}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 23   and name HB1 ))
      2.500     0.800     0.800 peak    18 weight  0.10000E+01 volume  0.49250E-02 ppm1      7.165 ppm2      3.082 CV     1
 ASSI {   19}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak    19 weight  0.10000E+01 volume  0.69517E-02 ppm1      7.164 ppm2      2.976 CV     1
 ASSI {   22}
   (( segid "    " and resid 1    and name HD2 ))
   (( segid "    " and resid 1    and name HB1 ))
      2.900     1.100     1.100 peak    22 weight  0.10000E+01 volume  0.25536E-02 ppm1      6.810 ppm2      2.850 CV     1
 OR {   22}
   (( segid "    " and resid 1    and name HD2 ))
   (( segid "    " and resid 1    and name HB2 ))
 ASSI {   26}
   (( segid "    " and resid 22   and name HZ2 ))
   (  segid "    " and resid 16   and name HD2%)
      3.100     1.200     1.200 peak    26 weight  0.10000E+01 volume  0.20576E-02 ppm1      7.445 ppm2      0.355 CV     1
 ASSI {   28}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 16   and name HD1%)
      3.500     1.500     1.500 peak    28 weight  0.10000E+01 volume  0.13323E-02 ppm1      7.333 ppm2     -0.237 CV     1
 OR {   28}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {   31}
   (  segid "    " and resid 27   and name HD% )
   (  segid "    " and resid 13   and name HG2%)
      4.600     2.600     1.400 peak    31 weight  0.10000E+01 volume  0.18999E-03 ppm1      7.213 ppm2      1.040 CV     1
 ASSI {   34}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 16   and name HD1%)
      3.500     1.500     1.500 peak    34 weight  0.10000E+01 volume  0.14370E-02 ppm1      5.250 ppm2     -0.241 CV     1
 OR {   34}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {   36}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.400     1.400     1.400 peak    36 weight  0.10000E+01 volume  0.13344E-02 ppm1      4.542 ppm2      2.427 CV     1
 ASSI {   39}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak    39 weight  0.10000E+01 volume  0.47385E-02 ppm1      5.261 ppm2      3.835 CV     1
 ASSI {   40}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HD1 ))
      2.100     0.600     0.600 peak    40 weight  0.10000E+01 volume  0.10214E-01 ppm1      4.991 ppm2      3.843 CV     1
 ASSI {   45}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 6    and name HB  ))
      2.800     1.000     1.000 peak    45 weight  0.10000E+01 volume  0.21722E-02 ppm1      4.479 ppm2      3.973 CV     1
 ASSI {   46}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak    46 weight  0.10000E+01 volume  0.18673E-02 ppm1      4.672 ppm2      4.910 CV     1
 ASSI {   49}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 22   and name HE3 ))
      3.200     1.300     1.300 peak    49 weight  0.10000E+01 volume  0.14730E-02 ppm1      4.897 ppm2      7.471 CV     1
 OR {   49}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 22   and name HZ2 ))
 ASSI {   55}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 22   and name HE3 ))
      3.400     1.400     1.400 peak    55 weight  0.10000E+01 volume  0.99069E-03 ppm1      3.842 ppm2      7.470 CV     1
 OR {   55}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 22   and name HZ2 ))
 ASSI {   79}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.400     0.700     0.700 peak    79 weight  0.10000E+01 volume  0.47946E-02 ppm1      3.590 ppm2      3.083 CV     1
 ASSI {   85}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 8    and name HB1 ))
      4.100     2.100     1.900 peak    85 weight  0.10000E+01 volume  0.82974E-03 ppm1      3.846 ppm2      2.434 CV     1
 ASSI {   87}
   (( segid "    " and resid 2    and name HB1 ))
   (  segid "    " and resid 6    and name HG2%)
      3.000     1.100     1.100 peak    87 weight  0.10000E+01 volume  0.31378E-02 ppm1      2.989 ppm2      1.097 CV     1
 OR {   87}
   (( segid "    " and resid 2    and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {   88}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 21   and name HG2%)
      3.300     1.400     1.400 peak    88 weight  0.10000E+01 volume  0.10049E-02 ppm1      3.094 ppm2      0.940 CV     1
 ASSI {   90}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 13   and name HG2%)
      4.500     2.500     1.500 peak    90 weight  0.10000E+01 volume  0.30398E-03 ppm1      3.694 ppm2      1.022 CV     1
 ASSI {   91}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 13   and name HG2%)
      4.200     2.200     1.800 peak    91 weight  0.10000E+01 volume  0.56290E-03 ppm1      3.603 ppm2      1.022 CV     1
 ASSI {   94}
   (( segid "    " and resid 20   and name HA2 ))
   (  segid "    " and resid 16   and name HD2%)
      3.300     1.400     1.400 peak    94 weight  0.10000E+01 volume  0.77518E-03 ppm1      3.451 ppm2      0.358 CV     1
 ASSI {   96}
   (( segid "    " and resid 20   and name HA2 ))
   (  segid "    " and resid 16   and name HD1%)
      2.700     0.900     0.900 peak    96 weight  0.10000E+01 volume  0.27522E-02 ppm1      3.455 ppm2     -0.238 CV     1
 ASSI {   97}
   (( segid "    " and resid 20   and name HA1 ))
   (  segid "    " and resid 16   and name HD1%)
      4.000     2.000     2.000 peak    97 weight  0.10000E+01 volume  0.15597E-02 ppm1      4.085 ppm2     -0.241 CV     1
 ASSI {   98}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak    98 weight  0.10000E+01 volume  0.15382E-02 ppm1      0.825 ppm2      2.248 CV     1
 ASSI {  100}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 24   and name HB1 ))
      3.600     1.700     1.700 peak   100 weight  0.10000E+01 volume  0.15003E-02 ppm1      0.831 ppm2      3.079 CV     1
 ASSI {  103}
   (  segid "    " and resid 4    and name HB% )
   (( segid "    " and resid 5    and name HA  ))
      3.300     1.400     1.400 peak   103 weight  0.10000E+01 volume  0.21295E-02 ppm1      1.303 ppm2      4.343 CV     1
 ASSI {  105}
   (  segid "    " and resid 16   and name HD2%)
   (( segid "    " and resid 20   and name HA1 ))
      4.600     2.700     1.400 peak   105 weight  0.10000E+01 volume  0.61436E-03 ppm1      0.368 ppm2      4.061 CV     1
 ASSI {  108}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 22   and name HZ2 ))
      3.100     1.200     1.200 peak   108 weight  0.10000E+01 volume  0.15116E-02 ppm1     -0.230 ppm2      7.449 CV     1
 OR {  108}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 22   and name HE3 ))
 ASSI {  109}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 22   and name HD1 ))
      3.500     1.600     1.600 peak   109 weight  0.10000E+01 volume  0.11440E-02 ppm1     -0.232 ppm2      7.326 CV     1
 ASSI {  111}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   111 weight  0.10000E+01 volume  0.18827E-02 ppm1     -0.233 ppm2      5.247 CV     1
 ASSI {  114}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 20   and name HA2 ))
      2.500     0.800     0.800 peak   114 weight  0.10000E+01 volume  0.38760E-02 ppm1     -0.233 ppm2      3.446 CV     1
 OR {  114}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 20   and name HA2 ))
 ASSI {  115}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      4.000     2.000     2.000 peak   115 weight  0.10000E+01 volume  0.74607E-03 ppm1     -0.228 ppm2      3.139 CV     1
 OR {  115}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  116}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 24   and name HB2 ))
      3.600     1.600     1.600 peak   116 weight  0.10000E+01 volume  0.12660E-02 ppm1      0.836 ppm2      2.857 CV     1
 ASSI {    1}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak     1 weight  0.10000E+01 volume  0.71618E-02 ppm1      9.640 ppm2      9.377 CV     1
 ASSI {    3}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.300     1.300 peak     3 weight  0.10000E+01 volume  0.25679E-02 ppm1      8.811 ppm2      9.659 CV     1
 ASSI {    5}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.400     0.000 peak     5 weight  0.10000E+01 volume  0.64706E-04 ppm1      9.640 ppm2      9.102 CV     1
 ASSI {   11}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HD% )
      2.400     0.700     0.700 peak    11 weight  0.10000E+01 volume  0.64858E-02 ppm1      9.643 ppm2      7.168 CV     1
 ASSI {   12}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HE% )
      3.500     1.600     1.600 peak    12 weight  0.10000E+01 volume  0.12757E-02 ppm1      9.643 ppm2      6.653 CV     1
 ASSI {   13}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      1.900     0.400     0.400 peak    13 weight  0.10000E+01 volume  0.21583E-01 ppm1      9.642 ppm2      5.250 CV     1
 ASSI {   15}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.600     1.600     1.600 peak    15 weight  0.10000E+01 volume  0.14765E-02 ppm1      9.637 ppm2      3.839 CV     1
 ASSI {   16}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.000     1.100     1.100 peak    16 weight  0.10000E+01 volume  0.24056E-02 ppm1      9.644 ppm2      3.307 CV     1
 ASSI {   17}
   (( segid "    " and resid 22   and name HE1 ))
   (  segid "    " and resid 16   and name HD2%)
      3.500     1.600     1.600 peak    17 weight  0.10000E+01 volume  0.11817E-02 ppm1     10.119 ppm2      0.363 CV     1
 ASSI {   18}
   (( segid "    " and resid 22   and name HE1 ))
   (  segid "    " and resid 16   and name HD1%)
      2.700     0.900     0.900 peak    18 weight  0.10000E+01 volume  0.37866E-02 ppm1     10.120 ppm2     -0.241 CV     1
 OR {   18}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {   19}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      2.800     0.900     0.900 peak    19 weight  0.10000E+01 volume  0.48495E-02 ppm1      9.110 ppm2     -0.241 CV     1
 OR {   19}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {   20}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      3.700     1.700     1.700 peak    20 weight  0.10000E+01 volume  0.92175E-03 ppm1      8.806 ppm2     -0.246 CV     1
 OR {   20}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {   21}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HD2%)
      3.700     1.700     1.700 peak    21 weight  0.10000E+01 volume  0.78322E-03 ppm1      9.109 ppm2      0.362 CV     1
 ASSI {   23}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak    23 weight  0.10000E+01 volume  0.22586E-02 ppm1      8.728 ppm2      0.835 CV     1
 ASSI {   24}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      2.500     0.800     0.800 peak    24 weight  0.10000E+01 volume  0.40284E-02 ppm1      8.812 ppm2      0.944 CV     1
 ASSI {   25}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG  ))
      3.300     1.400     1.400 peak    25 weight  0.10000E+01 volume  0.11011E-02 ppm1      9.109 ppm2      0.913 CV     1
 ASSI {   26}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.300     2.300     1.700 peak    26 weight  0.10000E+01 volume  0.74632E-03 ppm1      9.105 ppm2      1.140 CV     1
 ASSI {   27}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.800     1.800     1.800 peak    27 weight  0.10000E+01 volume  0.52208E-03 ppm1      8.730 ppm2      1.102 CV     1
 ASSI {   28}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      4.300     2.300     1.700 peak    28 weight  0.10000E+01 volume  0.32351E-03 ppm1      8.814 ppm2      1.033 CV     1
 ASSI {   29}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      3.900     1.900     1.900 peak    29 weight  0.10000E+01 volume  0.58781E-03 ppm1      8.724 ppm2      1.421 CV     1
 ASSI {   30}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      3.300     1.400     1.400 peak    30 weight  0.10000E+01 volume  0.16518E-02 ppm1      8.728 ppm2      1.833 CV     1
 ASSI {   31}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.400     1.400     1.400 peak    31 weight  0.10000E+01 volume  0.20374E-02 ppm1      8.811 ppm2      1.907 CV     1
 ASSI {   33}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.900     1.100     1.100 peak    33 weight  0.10000E+01 volume  0.23096E-02 ppm1      8.778 ppm2      2.988 CV     1
 ASSI {   36}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.900     1.900     1.900 peak    36 weight  0.10000E+01 volume  0.10067E-02 ppm1      8.816 ppm2      2.856 CV     1
 ASSI {   38}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HD2 ))
      4.200     2.200     1.800 peak    38 weight  0.10000E+01 volume  0.58056E-03 ppm1      9.103 ppm2      3.608 CV     1
 ASSI {   39}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      1.800     0.400     0.400 peak    39 weight  0.10000E+01 volume  0.22760E-01 ppm1      9.109 ppm2      3.843 CV     1
 ASSI {   45}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.100     0.600     0.600 peak    45 weight  0.10000E+01 volume  0.11983E-01 ppm1      8.728 ppm2      4.196 CV     1
 ASSI {   46}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      1.900     0.500     0.500 peak    46 weight  0.10000E+01 volume  0.22939E-01 ppm1      8.882 ppm2      4.548 CV     1
 ASSI {   47}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      1.900     0.400     0.400 peak    47 weight  0.10000E+01 volume  0.22939E-01 ppm1      8.811 ppm2      4.303 CV     1
 ASSI {   48}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.900     1.100     1.100 peak    48 weight  0.10000E+01 volume  0.20278E-02 ppm1      8.830 ppm2      4.409 CV     1
 ASSI {   49}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak    49 weight  0.10000E+01 volume  0.42455E-02 ppm1      8.776 ppm2      4.916 CV     1
 ASSI {   50}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      1.900     0.400     0.400 peak    50 weight  0.10000E+01 volume  0.21985E-01 ppm1      8.810 ppm2      4.807 CV     1
 ASSI {   51}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      1.800     0.400     0.400 peak    51 weight  0.10000E+01 volume  0.28257E-01 ppm1      9.390 ppm2      4.811 CV     1
 ASSI {   54}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.800     1.800     1.800 peak    54 weight  0.10000E+01 volume  0.77269E-03 ppm1      9.389 ppm2      5.259 CV     1
 ASSI {   55}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.100     1.100 peak    55 weight  0.10000E+01 volume  0.25280E-02 ppm1      9.108 ppm2      5.249 CV     1
 ASSI {   59}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 23   and name HE% )
      3.600     1.600     1.600 peak    59 weight  0.10000E+01 volume  0.10271E-02 ppm1      9.107 ppm2      6.624 CV     1
 ASSI {   60}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak    60 weight  0.10000E+01 volume  0.39827E-02 ppm1      9.109 ppm2      7.012 CV     1
 ASSI {   64}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HE3 ))
      4.500     2.500     1.500 peak    64 weight  0.10000E+01 volume  0.56872E-03 ppm1      8.823 ppm2      7.465 CV     1
 OR {   64}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HZ2 ))
 ASSI {   65}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.800     1.800 peak    65 weight  0.10000E+01 volume  0.92730E-03 ppm1      9.108 ppm2      7.891 CV     1
 ASSI {   66}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.200     2.200     1.800 peak    66 weight  0.10000E+01 volume  0.75557E-03 ppm1      9.113 ppm2      8.069 CV     1
 ASSI {   67}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak    67 weight  0.10000E+01 volume  0.10628E-02 ppm1      9.376 ppm2      8.063 CV     1
 ASSI {   68}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.400     1.400 peak    68 weight  0.10000E+01 volume  0.11264E-02 ppm1      8.834 ppm2      7.946 CV     1
 ASSI {   69}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak    69 weight  0.10000E+01 volume  0.48526E-02 ppm1      8.813 ppm2      8.622 CV     1
 ASSI {   76}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.200     0.600     0.600 peak    76 weight  0.10000E+01 volume  0.82043E-02 ppm1      7.891 ppm2      7.011 CV     1
 ASSI {   77}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 22   and name HZ3 ))
      3.100     1.200     1.200 peak    77 weight  0.10000E+01 volume  0.16240E-02 ppm1      8.073 ppm2      6.970 CV     1
 ASSI {   79}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.300     0.700     0.700 peak    79 weight  0.10000E+01 volume  0.64706E-02 ppm1      8.630 ppm2      4.903 CV     1
 ASSI {   81}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.000     0.500     0.500 peak    81 weight  0.10000E+01 volume  0.14836E-01 ppm1      8.070 ppm2      4.888 CV     1
 ASSI {   82}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.600     0.900     0.900 peak    82 weight  0.10000E+01 volume  0.38565E-02 ppm1      8.267 ppm2      4.483 CV     1
 ASSI {   83}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak    83 weight  0.10000E+01 volume  0.14619E-02 ppm1      7.962 ppm2      4.413 CV     1
 ASSI {   84}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak    84 weight  0.10000E+01 volume  0.15089E-02 ppm1      7.751 ppm2      4.355 CV     1
 ASSI {   85}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak    85 weight  0.10000E+01 volume  0.77378E-02 ppm1      7.851 ppm2      4.669 CV     1
 ASSI {   92}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.100     1.200     1.200 peak    92 weight  0.10000E+01 volume  0.12379E-02 ppm1      8.311 ppm2      3.985 CV     1
 ASSI {   96}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA2 ))
      3.000     1.100     1.100 peak    96 weight  0.10000E+01 volume  0.16274E-02 ppm1      7.963 ppm2      4.205 CV     1
 ASSI {   99}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.500     1.500     1.500 peak    99 weight  0.10000E+01 volume  0.91786E-03 ppm1      8.307 ppm2      4.480 CV     1
 ASSI {  100}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      4.000     2.000     2.000 peak   100 weight  0.10000E+01 volume  0.52939E-03 ppm1      7.762 ppm2      4.463 CV     1
 ASSI {  103}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      2.300     0.700     0.700 peak   103 weight  0.10000E+01 volume  0.77640E-02 ppm1      8.630 ppm2      3.586 CV     1
 ASSI {  104}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.800     1.000     1.000 peak   104 weight  0.10000E+01 volume  0.39609E-02 ppm1      8.073 ppm2      3.603 CV     1
 ASSI {  106}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      3.600     1.600     1.600 peak   106 weight  0.10000E+01 volume  0.15643E-02 ppm1      8.069 ppm2      3.341 CV     1
 ASSI {  108}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.000     1.100     1.100 peak   108 weight  0.10000E+01 volume  0.25811E-02 ppm1      8.267 ppm2      2.994 CV     1
 OR {  108}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {  109}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.800     1.800     1.800 peak   109 weight  0.10000E+01 volume  0.71904E-03 ppm1      7.856 ppm2      3.115 CV     1
 ASSI {  110}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.200     2.200     1.800 peak   110 weight  0.10000E+01 volume  0.65686E-03 ppm1      7.851 ppm2      3.010 CV     1
 ASSI {  112}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.400     1.400     1.400 peak   112 weight  0.10000E+01 volume  0.68116E-03 ppm1      7.896 ppm2      2.573 CV     1
 ASSI {  113}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak   113 weight  0.10000E+01 volume  0.97321E-03 ppm1      7.911 ppm2      2.259 CV     1
 ASSI {  114}
   (( segid "    " and resid 1    and name HE1 ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     4.500     0.000 peak   114 weight  0.10000E+01 volume  0.64706E-04 ppm1      7.791 ppm2      2.489 CV     1
 ASSI {  115}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      3.900     1.900     1.900 peak   115 weight  0.10000E+01 volume  0.72555E-03 ppm1      7.988 ppm2      2.710 CV     1
 ASSI {  116}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.800     1.800     1.800 peak   116 weight  0.10000E+01 volume  0.68829E-03 ppm1      7.959 ppm2      2.438 CV     1
 ASSI {  117}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.400     1.500     1.500 peak   117 weight  0.10000E+01 volume  0.79467E-03 ppm1      8.526 ppm2      2.301 CV     1
 ASSI {  121}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.100     1.200     1.200 peak   121 weight  0.10000E+01 volume  0.20456E-02 ppm1      8.320 ppm2      1.098 CV     1
 ASSI {  123}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      4.100     2.100     1.900 peak   123 weight  0.10000E+01 volume  0.86062E-03 ppm1      8.262 ppm2      1.096 CV     1
 ASSI {  127}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      3.500     1.500     1.500 peak   127 weight  0.10000E+01 volume  0.13855E-02 ppm1      7.892 ppm2     -0.240 CV     1
 ASSI {  128}
   (( segid "    " and resid 22   and name HZ2 ))
   (  segid "    " and resid 16   and name HD1%)
      2.800     1.000     1.000 peak   128 weight  0.10000E+01 volume  0.32200E-02 ppm1      7.467 ppm2     -0.239 CV     1
 OR {  128}
   (( segid "    " and resid 22   and name HZ2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  128}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  130}
   (( segid "    " and resid 22   and name HH2 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.500     1.500 peak   130 weight  0.10000E+01 volume  0.21020E-02 ppm1      7.176 ppm2     -0.242 CV     1
 OR {  130}
   (( segid "    " and resid 22   and name HH2 ))
   (  segid "    " and resid 16   and name HD1%)
 ASSI {  131}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      3.200     1.300     1.300 peak   131 weight  0.10000E+01 volume  0.15563E-02 ppm1      7.023 ppm2     -0.242 CV     1
 OR {  131}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  132}
   (( segid "    " and resid 22   and name HZ3 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak   132 weight  0.10000E+01 volume  0.15899E-02 ppm1      6.979 ppm2     -0.239 CV     1
 OR {  132}
   (( segid "    " and resid 22   and name HZ3 ))
   (  segid "    " and resid 16   and name HD1%)
 ASSI {  134}
   (( segid "    " and resid 22   and name HZ2 ))
   (  segid "    " and resid 16   and name HD2%)
      2.900     1.100     1.100 peak   134 weight  0.10000E+01 volume  0.33906E-02 ppm1      7.465 ppm2      0.362 CV     1
 OR {  134}
   (( segid "    " and resid 22   and name HE3 ))
   (  segid "    " and resid 16   and name HD2%)
 ASSI {  138}
   (  segid "    " and resid 19   and name HD% )
   (  segid "    " and resid 21   and name HG1%)
      3.400     1.500     1.500 peak   138 weight  0.10000E+01 volume  0.19088E-02 ppm1      7.088 ppm2      0.812 CV     1
 ASSI {  139}
   (  segid "    " and resid 19   and name HE% )
   (  segid "    " and resid 21   and name HG1%)
      4.600     2.600     1.400 peak   139 weight  0.10000E+01 volume  0.64706E-04 ppm1      6.837 ppm2      0.819 CV     1
 ASSI {  140}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 18   and name HG2 ))
      3.500     1.500     1.500 peak   140 weight  0.10000E+01 volume  0.59836E-03 ppm1      6.837 ppm2      1.916 CV     1
 ASSI {  142}
   (  segid "    " and resid 27   and name HE% )
   (  segid "    " and resid 13   and name HG2%)
      4.800     2.800     1.200 peak   142 weight  0.10000E+01 volume  0.12940E-03 ppm1      7.293 ppm2      1.038 CV     1
 ASSI {  145}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 18   and name HB2 ))
      3.300     1.300     1.300 peak   145 weight  0.10000E+01 volume  0.49665E-03 ppm1      7.077 ppm2      1.279 CV     1
 ASSI {  149}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak   149 weight  0.10000E+01 volume  0.56990E-02 ppm1      7.088 ppm2      2.572 CV     1
 ASSI {  150}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 19   and name HB2 ))
      4.400     2.500     1.600 peak   150 weight  0.10000E+01 volume  0.70144E-03 ppm1      6.827 ppm2      2.597 CV     1
 ASSI {  151}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HB1 ))
      2.700     0.900     0.900 peak   151 weight  0.10000E+01 volume  0.40621E-02 ppm1      7.214 ppm2      2.998 CV     1
 ASSI {  152}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak   152 weight  0.10000E+01 volume  0.34274E-02 ppm1      7.217 ppm2      3.089 CV     1
 ASSI {  155}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.200     0.600     0.600 peak   155 weight  0.10000E+01 volume  0.87724E-02 ppm1      7.338 ppm2      3.126 CV     1
 ASSI {  156}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.800     1.800     1.800 peak   156 weight  0.10000E+01 volume  0.26331E-02 ppm1      7.477 ppm2      3.120 CV     1
 ASSI {  159}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HB1 ))
      2.500     0.800     0.800 peak   159 weight  0.10000E+01 volume  0.50482E-02 ppm1      7.087 ppm2      3.339 CV     1
 ASSI {  160}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      2.900     1.000     1.000 peak   160 weight  0.10000E+01 volume  0.18869E-02 ppm1      7.014 ppm2      3.450 CV     1
 ASSI {  161}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 18   and name HD2 ))
      3.000     1.200     1.200 peak   161 weight  0.10000E+01 volume  0.11806E-02 ppm1      7.092 ppm2      3.611 CV     1
 ASSI {  162}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   162 weight  0.10000E+01 volume  0.93211E-03 ppm1      7.287 ppm2      3.591 CV     1
 ASSI {  166}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     1.200     1.200 peak   166 weight  0.10000E+01 volume  0.14907E-02 ppm1      7.479 ppm2      3.844 CV     1
 ASSI {  168}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 17   and name HB1 ))
      3.400     1.400     1.400 peak   168 weight  0.10000E+01 volume  0.29716E-02 ppm1      7.182 ppm2      3.968 CV     1
 ASSI {  174}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak   174 weight  0.10000E+01 volume  0.42559E-02 ppm1      7.086 ppm2      4.627 CV     1
 ASSI {  176}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 23   and name HA  ))
      3.500     1.500     1.500 peak   176 weight  0.10000E+01 volume  0.18218E-02 ppm1      7.182 ppm2      4.908 CV     1
 ASSI {  178}
   (( segid "    " and resid 22   and name HZ3 ))
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   178 weight  0.10000E+01 volume  0.60559E-02 ppm1      6.976 ppm2      4.889 CV     1
 ASSI {  180}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 22   and name HA  ))
      2.600     0.800     0.800 peak   180 weight  0.10000E+01 volume  0.49947E-02 ppm1      7.479 ppm2      5.251 CV     1
 ASSI {  181}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HA  ))
      3.900     1.900     1.900 peak   181 weight  0.10000E+01 volume  0.64213E-03 ppm1      7.338 ppm2      5.248 CV     1
 ASSI {  182}
   (  segid "    " and resid 23   and name HD% )
   (( segid "    " and resid 22   and name HA  ))
      3.300     1.400     1.400 peak   182 weight  0.10000E+01 volume  0.12547E-02 ppm1      7.186 ppm2      5.250 CV     1
 ASSI {  186}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.500     1.500 peak   186 weight  0.10000E+01 volume  0.89496E-03 ppm1      7.211 ppm2      7.907 CV     1
 ASSI {  187}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak   187 weight  0.10000E+01 volume  0.79375E-03 ppm1      7.479 ppm2      8.062 CV     1
 ASSI {  188}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   188 weight  0.10000E+01 volume  0.71605E-02 ppm1      7.338 ppm2      8.806 CV     1
 ASSI {  190}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.000     2.000     2.000 peak   190 weight  0.10000E+01 volume  0.67191E-03 ppm1      7.024 ppm2      8.804 CV     1
 ASSI {  193}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.100     1.100 peak   193 weight  0.10000E+01 volume  0.19914E-02 ppm1      7.479 ppm2      9.376 CV     1
 ASSI {  195}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak   195 weight  0.10000E+01 volume  0.18907E-02 ppm1      7.480 ppm2      9.638 CV     1
 ASSI {  196}
   (( segid "    " and resid 22   and name HZ2 ))
   (( segid "    " and resid 22   and name HE1 ))
      2.400     0.700     0.700 peak   196 weight  0.10000E+01 volume  0.71812E-02 ppm1      7.463 ppm2     10.113 CV     1
 ASSI {  200}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak   200 weight  0.10000E+01 volume  0.34326E-02 ppm1      6.627 ppm2      3.968 CV     1
 ASSI {  203}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.400     1.400     1.400 peak   203 weight  0.10000E+01 volume  0.64201E-03 ppm1      5.265 ppm2      3.320 CV     1
 ASSI {  204}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.000     1.100     1.100 peak   204 weight  0.10000E+01 volume  0.17241E-02 ppm1      4.477 ppm2      2.999 CV     1
 OR {  204}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {  209}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   209 weight  0.10000E+01 volume  0.59609E-03 ppm1      3.600 ppm2      9.377 CV     1
 ASSI {  211}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak   211 weight  0.10000E+01 volume  0.18710E-02 ppm1      3.983 ppm2      9.104 CV     1
 ASSI {  217}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak   217 weight  0.10000E+01 volume  0.95226E-03 ppm1      3.820 ppm2      8.623 CV     1
 ASSI {  220}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   220 weight  0.10000E+01 volume  0.15669E-02 ppm1      4.118 ppm2      8.301 CV     1
 ASSI {  224}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   224 weight  0.10000E+01 volume  0.97851E-03 ppm1      3.862 ppm2      8.055 CV     1
 ASSI {  226}
   (( segid "    " and resid 11   and name HA1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak   226 weight  0.10000E+01 volume  0.97108E-03 ppm1      3.612 ppm2      7.943 CV     1
 ASSI {  228}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.500     1.500 peak   228 weight  0.10000E+01 volume  0.86409E-03 ppm1      4.186 ppm2      7.844 CV     1
 ASSI {  229}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   229 weight  0.10000E+01 volume  0.10018E-02 ppm1      3.990 ppm2      7.746 CV     1
 ASSI {  230}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     1.700     1.700 peak   230 weight  0.10000E+01 volume  0.54802E-03 ppm1      4.107 ppm2      7.747 CV     1
 ASSI {  235}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HD1 ))
      1.700     0.400     0.500 peak   235 weight  0.10000E+01 volume  0.16857E-01 ppm1      3.611 ppm2      3.910 CV     1
 ASSI {  237}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
      2.300     0.700     0.700 peak   237 weight  0.10000E+01 volume  0.23254E-02 ppm1      4.285 ppm2      3.962 CV     1
 ASSI {  239}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB  ))
      3.000     1.100     1.100 peak   239 weight  0.10000E+01 volume  0.20131E-02 ppm1      4.118 ppm2      3.979 CV     1
 ASSI {  250}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.900     1.000     1.000 peak   250 weight  0.10000E+01 volume  0.23060E-02 ppm1      4.126 ppm2      2.694 CV     1
 ASSI {  252}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak   252 weight  0.10000E+01 volume  0.42819E-02 ppm1      4.418 ppm2      2.603 CV     1
 OR {  252}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  253}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.900     1.000     1.000 peak   253 weight  0.10000E+01 volume  0.35214E-02 ppm1      4.134 ppm2      2.489 CV     1
 ASSI {  254}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.800     1.800     1.800 peak   254 weight  0.10000E+01 volume  0.79241E-03 ppm1      4.448 ppm2      2.302 CV     1
 ASSI {  255}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak   255 weight  0.10000E+01 volume  0.20562E-02 ppm1      4.299 ppm2      2.215 CV     1
 ASSI {  256}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HB2 ))
      1.900     0.400     0.400 peak   256 weight  0.10000E+01 volume  0.93558E-02 ppm1      3.698 ppm2      2.429 CV     1
 ASSI {  258}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HG2 ))
      2.500     0.800     0.800 peak   258 weight  0.10000E+01 volume  0.42005E-02 ppm1      3.674 ppm2      1.971 CV     1
 OR {  258}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HG1 ))
 ASSI {  259}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HG1 ))
      2.900     1.000     1.000 peak   259 weight  0.10000E+01 volume  0.32535E-02 ppm1      3.617 ppm2      1.818 CV     1
 ASSI {  260}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HG1 ))
      2.600     0.900     0.900 peak   260 weight  0.10000E+01 volume  0.33536E-02 ppm1      3.850 ppm2      1.987 CV     1
 OR {  260}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  264}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak   264 weight  0.10000E+01 volume  0.51277E-02 ppm1      3.808 ppm2      1.935 CV     1
 ASSI {  265}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HG2 ))
      2.500     0.800     0.800 peak   265 weight  0.10000E+01 volume  0.25727E-02 ppm1      3.614 ppm2      1.919 CV     1
 ASSI {  268}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 6    and name HG2%)
      2.900     1.000     1.000 peak   268 weight  0.10000E+01 volume  0.21894E-02 ppm1      3.973 ppm2      1.098 CV     1
 ASSI {  269}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 13   and name HG2%)
      2.900     1.000     1.000 peak   269 weight  0.10000E+01 volume  0.22860E-02 ppm1      3.809 ppm2      1.033 CV     1
 ASSI {  270}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HB2 ))
      4.300     2.400     1.700 peak   270 weight  0.10000E+01 volume  0.59623E-03 ppm1      3.610 ppm2      1.280 CV     1
 ASSI {  271}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HG2%)
      2.500     0.800     0.800 peak   271 weight  0.10000E+01 volume  0.40401E-02 ppm1      3.576 ppm2      0.818 CV     1
 ASSI {  272}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.900     1.000     1.000 peak   272 weight  0.10000E+01 volume  0.30451E-02 ppm1      3.847 ppm2     -0.241 CV     1
 OR {  272}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HD1%)
 ASSI {  278}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.800     0.400     0.400 peak   278 weight  0.10000E+01 volume  0.13193E-01 ppm1      3.323 ppm2      2.575 CV     1
 ASSI {  279}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HB2 ))
      1.700     0.400     0.500 peak   279 weight  0.10000E+01 volume  0.26256E-01 ppm1      2.711 ppm2      2.491 CV     1
 ASSI {  280}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HB2 ))
      1.600     0.300     0.600 peak   280 weight  0.10000E+01 volume  0.29787E-01 ppm1      3.294 ppm2      3.127 CV     1
 ASSI {  284}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 12   and name HB  ))
      3.000     1.100     1.100 peak   284 weight  0.10000E+01 volume  0.19104E-02 ppm1      2.856 ppm2      3.585 CV     1
 ASSI {  286}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
      1.800     0.400     0.400 peak   286 weight  0.10000E+01 volume  0.16599E-01 ppm1      3.332 ppm2      3.600 CV     1
 ASSI {  288}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 6    and name HB  ))
      2.800     1.000     1.000 peak   288 weight  0.10000E+01 volume  0.41991E-02 ppm1      2.998 ppm2      3.979 CV     1
 OR {  288}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI {  301}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.300     1.300     1.300 peak   301 weight  0.10000E+01 volume  0.66740E-03 ppm1      2.578 ppm2      7.322 CV     1
 ASSI {  303}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 22   and name HE3 ))
      3.300     1.400     1.400 peak   303 weight  0.10000E+01 volume  0.68640E-03 ppm1      3.066 ppm2      7.463 CV     1
 ASSI {  308}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     0.700     0.700 peak   308 weight  0.10000E+01 volume  0.56310E-02 ppm1      3.470 ppm2      7.884 CV     1
 ASSI {  312}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak   312 weight  0.10000E+01 volume  0.22200E-02 ppm1      2.608 ppm2      8.520 CV     1
 OR {  312}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  314}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     0.700     0.700 peak   314 weight  0.10000E+01 volume  0.57471E-02 ppm1      3.126 ppm2      8.805 CV     1
 ASSI {  315}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak   315 weight  0.10000E+01 volume  0.18315E-02 ppm1      3.294 ppm2      8.804 CV     1
 ASSI {  319}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak   319 weight  0.10000E+01 volume  0.56368E-03 ppm1      2.612 ppm2      8.836 CV     1
 OR {  319}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  320}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   320 weight  0.10000E+01 volume  0.12485E-02 ppm1      3.341 ppm2      9.376 CV     1
 ASSI {  324}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.500     1.500 peak   324 weight  0.10000E+01 volume  0.10568E-02 ppm1      3.004 ppm2      9.638 CV     1
 ASSI {  326}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak   326 weight  0.10000E+01 volume  0.43989E-02 ppm1      2.437 ppm2      8.719 CV     1
 ASSI {  330}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      3.700     1.800     1.800 peak   330 weight  0.10000E+01 volume  0.92882E-03 ppm1      1.862 ppm2      8.510 CV     1
 ASSI {  332}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.900     1.000     1.000 peak   332 weight  0.10000E+01 volume  0.31294E-02 ppm1      1.848 ppm2      8.308 CV     1
 ASSI {  333}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak   333 weight  0.10000E+01 volume  0.99738E-03 ppm1      1.943 ppm2      7.907 CV     1
 ASSI {  335}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   335 weight  0.10000E+01 volume  0.52427E-02 ppm1      1.915 ppm2      7.011 CV     1
 ASSI {  336}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.200     1.300     1.300 peak   336 weight  0.10000E+01 volume  0.97053E-03 ppm1      2.438 ppm2      4.542 CV     1
 ASSI {  337}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HB2 ))
      2.200     0.600     0.600 peak   337 weight  0.10000E+01 volume  0.61004E-02 ppm1      1.836 ppm2      1.287 CV     1
 ASSI {  339}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     1.100     1.100 peak   339 weight  0.10000E+01 volume  0.36091E-02 ppm1      1.940 ppm2      1.288 CV     1
 ASSI {  341}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 16   and name HD2%)
      2.600     0.900     0.900 peak   341 weight  0.10000E+01 volume  0.74102E-02 ppm1      1.144 ppm2      0.361 CV     1
 ASSI {  342}
   (( segid "    " and resid 16   and name HG  ))
   (  segid "    " and resid 16   and name HD2%)
      2.400     0.700     0.700 peak   342 weight  0.10000E+01 volume  0.61966E-02 ppm1      0.927 ppm2      0.365 CV     1
 ASSI {  343}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 7    and name HG12))
      1.700     0.400     0.500 peak   343 weight  0.10000E+01 volume  0.17908E-01 ppm1      1.435 ppm2      1.161 CV     1
 ASSI {  344}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 7    and name HB  ))
      2.800     1.000     1.000 peak   344 weight  0.10000E+01 volume  0.24881E-02 ppm1      1.429 ppm2      1.838 CV     1
 ASSI {  347}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 7    and name HB  ))
      2.900     1.100     1.100 peak   347 weight  0.10000E+01 volume  0.23436E-02 ppm1      1.142 ppm2      1.838 CV     1
 ASSI {  348}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HB1 ))
      1.700     0.400     0.500 peak   348 weight  0.10000E+01 volume  0.17907E-01 ppm1      1.281 ppm2      2.214 CV     1
 ASSI {  349}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 26   and name HB1 ))
      3.000     1.100     1.100 peak   349 weight  0.10000E+01 volume  0.18850E-02 ppm1      0.824 ppm2      2.259 CV     1
 ASSI {  351}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 19   and name HB2 ))
      2.700     0.900     0.900 peak   351 weight  0.10000E+01 volume  0.29840E-02 ppm1      0.823 ppm2      2.579 CV     1
 ASSI {  356}
   (( segid "    " and resid 16   and name HG  ))
   (( segid "    " and resid 20   and name HA2 ))
      3.400     1.500     1.500 peak   356 weight  0.10000E+01 volume  0.86634E-03 ppm1      0.910 ppm2      3.450 CV     1
 ASSI {  358}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
      3.200     1.300     1.300 peak   358 weight  0.10000E+01 volume  0.29152E-02 ppm1      1.103 ppm2      4.482 CV     1
 ASSI {  360}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   360 weight  0.10000E+01 volume  0.15597E-02 ppm1      1.105 ppm2      4.985 CV     1
 ASSI {  364}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   364 weight  0.10000E+01 volume  0.61795E-02 ppm1      0.823 ppm2      7.011 CV     1
 ASSI {  366}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      4.000     2.000     2.000 peak   366 weight  0.10000E+01 volume  0.83577E-03 ppm1      0.953 ppm2      7.006 CV     1
 ASSI {  367}
   (  segid "    " and resid 21   and name HG2%)
   (  segid "    " and resid 23   and name HD% )
      3.200     1.300     1.300 peak   367 weight  0.10000E+01 volume  0.11957E-02 ppm1      0.951 ppm2      7.167 CV     1
 ASSI {  368}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak   368 weight  0.10000E+01 volume  0.79540E-03 ppm1      1.109 ppm2      7.753 CV     1
 ASSI {  369}
   (  segid "    " and resid 5    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   369 weight  0.10000E+01 volume  0.19098E-02 ppm1      1.383 ppm2      7.750 CV     1
 ASSI {  371}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   371 weight  0.10000E+01 volume  0.36039E-02 ppm1      1.144 ppm2      8.062 CV     1
 ASSI {  372}
   (  segid "    " and resid 5    and name HB% )
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak   372 weight  0.10000E+01 volume  0.41413E-02 ppm1      1.380 ppm2      8.081 CV     1
 ASSI {  373}
   (  segid "    " and resid 4    and name HB% )
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.500     1.500 peak   373 weight  0.10000E+01 volume  0.97924E-03 ppm1      1.322 ppm2      8.072 CV     1
 ASSI {  374}
   (  segid "    " and resid 4    and name HB% )
   (( segid "    " and resid 4    and name HN  ))
      3.500     1.500     1.500 peak   374 weight  0.10000E+01 volume  0.10451E-02 ppm1      1.318 ppm2      7.985 CV     1
 ASSI {  375}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.500     1.500 peak   375 weight  0.10000E+01 volume  0.79552E-03 ppm1      1.435 ppm2      8.312 CV     1
 ASSI {  377}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.300     1.300 peak   377 weight  0.10000E+01 volume  0.13240E-02 ppm1      1.159 ppm2      8.311 CV     1
 ASSI {  378}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      3.600     1.600     1.600 peak   378 weight  0.10000E+01 volume  0.11477E-02 ppm1      0.838 ppm2      8.314 CV     1
 ASSI {  379}
   (( segid "    " and resid 16   and name HG  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   379 weight  0.10000E+01 volume  0.77616E-03 ppm1      0.912 ppm2      8.065 CV     1
 ASSI {  380}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      3.600     1.700     1.700 peak   380 weight  0.10000E+01 volume  0.21085E-02 ppm1      0.833 ppm2      8.620 CV     1
 ASSI {  381}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   381 weight  0.10000E+01 volume  0.29379E-02 ppm1      1.037 ppm2      8.619 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    HIS   1          HT1       HIS   1  -1.150   7.444   7.349
    2   2H    HIS   1          HT2       HIS   1  -1.706   8.563   6.209
    3   3H    HIS   1          HT3       HIS   1  -0.216   7.795   5.982
    4    HA   HIS   1           HA       HIS   1  -1.294   5.668   5.722
    5   1HB   HIS   1          HB2       HIS   1  -3.257   6.696   7.212
    6   2HB   HIS   1          HB1       HIS   1  -3.965   6.988   5.627
    7    HD1  HIS   1           HD1      HIS   1  -2.285   4.088   4.888
    8    HD2  HIS   1           HD2      HIS   1  -5.539   4.850   7.356
    9    HE1  HIS   1           HE1      HIS   1  -3.474   1.885   5.132
   10    HE2  HIS   1           HE2      HIS   1  -5.485   2.389   6.563
   11    H    CYS   2           HN       CYS   2  -2.365   4.981   3.689
   12    HA   CYS   2           HA       CYS   2  -1.908   6.989   1.597
   13   1HB   CYS   2          HB2       CYS   2  -1.853   4.950   0.082
   14   2HB   CYS   2          HB1       CYS   2  -0.536   5.085   1.242
   15    H    ASP   3           HN       ASP   3  -4.191   7.590   2.644
   16    HA   ASP   3           HA       ASP   3  -6.194   6.494   0.792
   17   1HB   ASP   3          HB2       ASP   3  -6.214   6.023   3.519
   18   2HB   ASP   3          HB1       ASP   3  -7.319   7.382   3.338
   19    H    ALA   4           HN       ALA   4  -4.468   8.980   0.987
   20    HA   ALA   4           HA       ALA   4  -6.647  10.879   0.499
   21   1HB   ALA   4          HB1       ALA   4  -4.269  11.385   2.278
   22   2HB   ALA   4          HB2       ALA   4  -5.973  11.407   2.729
   23   3HB   ALA   4          HB3       ALA   4  -5.328  12.654   1.662
   24    H    ALA   5           HN       ALA   5  -3.754   9.464  -0.440
   25    HA   ALA   5           HA       ALA   5  -3.546  11.276  -2.708
   26   1HB   ALA   5          HB1       ALA   5  -0.938  10.625  -1.485
   27   2HB   ALA   5          HB2       ALA   5  -1.926  11.819  -0.642
   28   3HB   ALA   5          HB3       ALA   5  -1.468  12.082  -2.325
   29    H    THR   6           HN       THR   6  -4.036   8.318  -1.812
   30    HA   THR   6           HA       THR   6  -2.649   7.173  -4.115
   31    HB   THR   6           HB       THR   6  -2.585   5.857  -1.392
   32    HG1  THR   6           HG1      THR   6  -1.106   7.596  -1.527
   33   1HG2  THR   6          HG21      THR   6  -2.535   4.641  -3.834
   34   2HG2  THR   6          HG22      THR   6  -1.788   3.994  -2.373
   35   3HG2  THR   6          HG23      THR   6  -0.817   4.903  -3.531
   36    H    ILE   7           HN       ILE   7  -4.873   6.474  -1.427
   37    HA   ILE   7           HA       ILE   7  -6.822   5.307  -1.309
   38    HB   ILE   7           HB       ILE   7  -7.313   5.883  -4.210
   39   1HG1  ILE   7          HG12      ILE   7  -8.162   8.002  -2.384
   40   2HG1  ILE   7          HG11      ILE   7  -6.410   7.847  -2.478
   41   1HG2  ILE   7          HG21      ILE   7  -8.983   5.613  -1.735
   42   2HG2  ILE   7          HG22      ILE   7  -9.083   4.707  -3.245
   43   3HG2  ILE   7          HG23      ILE   7  -9.608   6.390  -3.190
   44   1HD1  ILE   7          HD11      ILE   7  -7.138   9.453  -4.089
   45   2HD1  ILE   7          HD12      ILE   7  -8.314   8.322  -4.756
   46   3HD1  ILE   7          HD13      ILE   7  -6.588   8.013  -4.945
   47    H    CYS   8           HN       CYS   8  -5.631   3.303  -1.102
   48    HA   CYS   8           HA       CYS   8  -5.082   1.654  -3.358
   49   1HB   CYS   8          HB2       CYS   8  -5.271   1.083  -0.397
   50   2HB   CYS   8          HB1       CYS   8  -4.880  -0.161  -1.580
   51    HA   PRO   9           HA       PRO   9  -8.875  -0.310  -4.441
   52   1HB   PRO   9          HB2       PRO   9  -7.612  -2.904  -3.671
   53   2HB   PRO   9          HB1       PRO   9  -8.456  -2.462  -5.160
   54   1HG   PRO   9          HG2       PRO   9  -5.799  -2.616  -5.100
   55   2HG   PRO   9          HG1       PRO   9  -6.619  -1.348  -6.028
   56   1HD   PRO   9          HD2       PRO   9  -5.167  -1.161  -3.437
   57   2HD   PRO   9          HD1       PRO   9  -5.325   0.039  -4.734
   58    H    ASP  10           HN       ASP  10 -10.683  -1.525  -3.578
   59    HA   ASP  10           HA       ASP  10 -11.158  -1.010  -0.853
   60   1HB   ASP  10          HB2       ASP  10 -13.267  -2.185  -1.172
   61   2HB   ASP  10          HB1       ASP  10 -12.944  -1.142  -2.554
   62    H    GLY  11           HN       GLY  11 -10.748  -2.139   0.931
   63   1HA   GLY  11          HA2       GLY  11 -10.276  -3.911   2.325
   64   2HA   GLY  11          HA1       GLY  11 -10.693  -4.992   1.005
   65    H    THR  12           HN       THR  12  -8.199  -2.507   0.868
   66    HA   THR  12           HA       THR  12  -6.145  -4.609   0.968
   67    HB   THR  12           HB       THR  12  -4.976  -3.741  -0.924
   68    HG1  THR  12           HG1      THR  12  -5.760  -1.483  -0.425
   69   1HG2  THR  12          HG21      THR  12  -6.582  -5.258  -1.692
   70   2HG2  THR  12          HG22      THR  12  -6.818  -3.846  -2.721
   71   3HG2  THR  12          HG23      THR  12  -7.916  -4.149  -1.375
   72    H    THR  13           HN       THR  13  -4.031  -3.881   1.548
   73    HA   THR  13           HA       THR  13  -3.972  -1.224   2.822
   74    HB   THR  13           HB       THR  13  -4.160  -2.777   4.629
   75    HG1  THR  13           HG1      THR  13  -2.612  -1.701   5.574
   76   1HG2  THR  13          HG21      THR  13  -2.304  -4.570   4.839
   77   2HG2  THR  13          HG22      THR  13  -2.114  -4.350   3.099
   78   3HG2  THR  13          HG23      THR  13  -3.662  -4.881   3.757
   79    H    CYS  14           HN       CYS  14  -1.975  -0.148   2.833
   80    HA   CYS  14           HA       CYS  14   0.008  -1.259   0.959
   81   1HB   CYS  14          HB2       CYS  14   0.389   0.851   0.070
   82   2HB   CYS  14          HB1       CYS  14  -1.344   0.889   0.376
   83    H    SER  15           HN       SER  15   2.171  -1.105   1.427
   84    HA   SER  15           HA       SER  15   2.943   0.020   4.022
   85   1HB   SER  15          HB2       SER  15   3.044  -2.074   4.866
   86   2HB   SER  15          HB1       SER  15   2.957  -2.817   3.270
   87    HG   SER  15           HG       SER  15   5.148  -2.561   3.041
   88    H    LEU  16           HN       LEU  16   5.078   0.736   4.148
   89    HA   LEU  16           HA       LEU  16   6.270   1.400   1.618
   90   1HB   LEU  16          HB2       LEU  16   6.281   3.039   3.391
   91   2HB   LEU  16          HB1       LEU  16   7.129   1.939   4.460
   92    HG   LEU  16           HG       LEU  16   9.106   2.050   2.980
   93   1HD1  LEU  16          HD11      LEU  16   8.532   4.399   1.522
   94   2HD1  LEU  16          HD12      LEU  16   7.238   3.247   1.194
   95   3HD1  LEU  16          HD13      LEU  16   8.917   2.794   0.902
   96   1HD2  LEU  16          HD21      LEU  16   7.960   4.370   4.399
   97   2HD2  LEU  16          HD22      LEU  16   9.333   4.700   3.342
   98   3HD2  LEU  16          HD23      LEU  16   9.487   3.525   4.649
   99    H    SER  17           HN       SER  17   8.070   0.587   0.693
  100    HA   SER  17           HA       SER  17   9.125  -1.894   1.815
  101   1HB   SER  17          HB2       SER  17   8.426  -1.149  -0.762
  102   2HB   SER  17          HB1       SER  17  10.188  -1.080  -0.783
  103    HG   SER  17           HG       SER  17   9.249  -3.296   0.491
  104    HA   PRO  18           HA       PRO  18  13.003  -0.246   3.109
  105   1HB   PRO  18          HB2       PRO  18  14.774  -2.133   2.193
  106   2HB   PRO  18          HB1       PRO  18  13.777  -2.329   3.639
  107   1HG   PRO  18          HG2       PRO  18  13.336  -3.382   0.875
  108   2HG   PRO  18          HG1       PRO  18  13.078  -4.184   2.435
  109   1HD   PRO  18          HD2       PRO  18  11.040  -3.155   1.011
  110   2HD   PRO  18          HD1       PRO  18  11.051  -3.127   2.786
  111    H    TYR  19           HN       TYR  19  12.254  -0.645  -0.165
  112    HA   TYR  19           HA       TYR  19  14.725   0.633  -1.082
  113   1HB   TYR  19          HB2       TYR  19  12.545  -0.916  -2.407
  114   2HB   TYR  19          HB1       TYR  19  13.418   0.272  -3.367
  115    HD1  TYR  19           HD1      TYR  19  15.585  -0.189  -4.194
  116    HD2  TYR  19           HD2      TYR  19  13.830  -2.783  -1.314
  117    HE1  TYR  19           HE1      TYR  19  17.389  -1.817  -4.570
  118    HE2  TYR  19           HE2      TYR  19  15.629  -4.418  -1.681
  119    HH   TYR  19           HH       TYR  19  17.969  -4.427  -2.511
  120    H    GLY  20           HN       GLY  20  11.412   1.278  -0.413
  121   1HA   GLY  20          HA2       GLY  20  10.720   3.562  -0.070
  122   2HA   GLY  20          HA1       GLY  20  11.787   4.035  -1.383
  123    H    VAL  21           HN       VAL  21   9.395   1.417  -1.253
  124    HA   VAL  21           HA       VAL  21   7.894   2.793  -3.384
  125    HB   VAL  21           HB       VAL  21   8.091  -0.201  -3.269
  126   1HG1  VAL  21          HG11      VAL  21   7.893   0.729  -5.891
  127   2HG1  VAL  21          HG12      VAL  21   6.819   1.764  -4.950
  128   3HG1  VAL  21          HG13      VAL  21   6.612   0.013  -4.914
  129   1HG2  VAL  21          HG21      VAL  21   9.775   1.011  -5.297
  130   2HG2  VAL  21          HG22      VAL  21  10.139  -0.278  -4.149
  131   3HG2  VAL  21          HG23      VAL  21  10.309   1.409  -3.664
  132    H    TRP  22           HN       TRP  22   5.653   2.474  -3.422
  133    HA   TRP  22           HA       TRP  22   4.533   1.307  -0.958
  134   1HB   TRP  22          HB2       TRP  22   3.582   3.688  -2.562
  135   2HB   TRP  22          HB1       TRP  22   2.661   2.953  -1.254
  136    HD1  TRP  22           HD1      TRP  22   5.737   5.123  -1.901
  137    HE1  TRP  22           HE1      TRP  22   6.478   6.189   0.321
  138    HE3  TRP  22           HE3      TRP  22   2.639   2.595   1.285
  139    HZ2  TRP  22           HZ2      TRP  22   5.835   5.985   3.063
  140    HZ3  TRP  22           HZ3      TRP  22   2.765   3.089   3.692
  141    HH2  TRP  22           HH2      TRP  22   4.331   4.749   4.561
  142    H    TYR  23           HN       TYR  23   3.170  -0.336  -1.214
  143    HA   TYR  23           HA       TYR  23   1.604  -0.563  -3.669
  144   1HB   TYR  23          HB2       TYR  23   2.214  -3.018  -3.797
  145   2HB   TYR  23          HB1       TYR  23   3.489  -1.895  -4.253
  146    HD1  TYR  23           HD1      TYR  23   5.281  -1.358  -2.510
  147    HD2  TYR  23           HD2      TYR  23   2.574  -4.618  -2.123
  148    HE1  TYR  23           HE1      TYR  23   6.797  -2.417  -0.890
  149    HE2  TYR  23           HE2      TYR  23   4.082  -5.685  -0.501
  150    HH   TYR  23           HH       TYR  23   7.281  -4.658  -0.012
  151    H    CYS  24           HN       CYS  24  -0.288  -1.800  -3.460
  152    HA   CYS  24           HA       CYS  24  -1.004  -2.436  -0.673
  153   1HB   CYS  24          HB2       CYS  24  -3.222  -2.039  -2.559
  154   2HB   CYS  24          HB1       CYS  24  -3.002  -1.412  -0.929
  155    H    SER  25           HN       SER  25  -2.245  -4.283  -0.254
  156    HA   SER  25           HA       SER  25  -2.592  -6.175  -2.467
  157   1HB   SER  25          HB2       SER  25  -1.664  -8.004  -1.103
  158   2HB   SER  25          HB1       SER  25  -0.461  -6.747  -1.391
  159    HG   SER  25           HG       SER  25  -0.544  -7.469   0.807
  160    HA   PRO  26           HA       PRO  26  -6.494  -6.720  -0.425
  161   1HB   PRO  26          HB2       PRO  26  -7.032  -9.027  -2.070
  162   2HB   PRO  26          HB1       PRO  26  -7.679  -7.393  -2.225
  163   1HG   PRO  26          HG2       PRO  26  -5.963  -8.537  -4.031
  164   2HG   PRO  26          HG1       PRO  26  -6.122  -6.790  -3.781
  165   1HD   PRO  26          HD2       PRO  26  -4.043  -8.675  -2.736
  166   2HD   PRO  26          HD1       PRO  26  -3.856  -7.020  -3.357
  167    H    PHE  27           HN       PHE  27  -3.961  -8.329   0.418
  168    HA   PHE  27           HA       PHE  27  -5.457 -10.265   2.022
  169   1HB   PHE  27          HB2       PHE  27  -3.483 -11.880   1.665
  170   2HB   PHE  27          HB1       PHE  27  -4.666 -11.729   0.370
  171    HD1  PHE  27           HD1      PHE  27  -4.038 -10.997  -1.772
  172    HD2  PHE  27           HD2      PHE  27  -1.295 -10.682   1.466
  173    HE1  PHE  27           HE1      PHE  27  -2.237 -10.447  -3.356
  174    HE2  PHE  27           HE2      PHE  27   0.510 -10.130  -0.111
  175    HZ   PHE  27           HZ       PHE  27   0.040 -10.013  -2.526
  176    H    SER  28           HN       SER  28  -4.398  -7.710   2.697
  177    HA   SER  28           HA       SER  28  -3.185  -6.661   4.306
  178   1HB   SER  28          HB2       SER  28  -2.775  -9.357   5.591
  179   2HB   SER  28          HB1       SER  28  -2.925  -7.783   6.372
  180    HG   SER  28           HG       SER  28  -5.134  -7.896   5.229
  Start of MODEL    2
    1   1H    HIS   1          HT1       HIS   1   2.539   8.909   2.380
    2   2H    HIS   1          HT2       HIS   1   3.313   7.664   1.537
    3   3H    HIS   1          HT3       HIS   1   3.666   7.925   3.170
    4    HA   HIS   1           HA       HIS   1   2.169   5.993   2.683
    5   1HB   HIS   1          HB2       HIS   1   2.436   7.279   4.874
    6   2HB   HIS   1          HB1       HIS   1   0.952   8.123   4.446
    7    HD1  HIS   1           HD1      HIS   1   1.039   4.561   3.515
    8    HD2  HIS   1           HD2      HIS   1  -0.189   6.852   6.756
    9    HE1  HIS   1           HE1      HIS   1  -0.421   3.047   4.893
   10    HE2  HIS   1           HE2      HIS   1  -1.215   4.479   6.808
   11    H    CYS   2           HN       CYS   2  -0.116   5.417   2.455
   12    HA   CYS   2           HA       CYS   2  -1.375   7.030   0.378
   13   1HB   CYS   2          HB2       CYS   2  -2.612   4.483   1.270
   14   2HB   CYS   2          HB1       CYS   2  -2.380   5.114  -0.357
   15    H    ASP   3           HN       ASP   3  -2.247   8.745   1.548
   16    HA   ASP   3           HA       ASP   3  -4.800   8.214   2.752
   17   1HB   ASP   3          HB2       ASP   3  -3.050   7.905   4.608
   18   2HB   ASP   3          HB1       ASP   3  -2.809   9.646   4.502
   19    H    ALA   4           HN       ALA   4  -6.027   9.682   1.792
   20    HA   ALA   4           HA       ALA   4  -6.775  11.629   0.885
   21   1HB   ALA   4          HB1       ALA   4  -6.678  12.433   3.146
   22   2HB   ALA   4          HB2       ALA   4  -6.123  13.714   2.067
   23   3HB   ALA   4          HB3       ALA   4  -4.954  12.775   2.996
   24    H    ALA   5           HN       ALA   5  -4.759  10.410  -0.569
   25    HA   ALA   5           HA       ALA   5  -3.820  12.607  -2.138
   26   1HB   ALA   5          HB1       ALA   5  -1.918  11.160  -0.351
   27   2HB   ALA   5          HB2       ALA   5  -2.006  12.876  -0.749
   28   3HB   ALA   5          HB3       ALA   5  -1.369  11.729  -1.927
   29    H    THR   6           HN       THR   6  -3.233   9.169  -1.416
   30    HA   THR   6           HA       THR   6  -3.299   8.638  -4.314
   31    HB   THR   6           HB       THR   6  -2.093   6.817  -2.235
   32    HG1  THR   6           HG1      THR   6  -1.124   9.073  -2.579
   33   1HG2  THR   6          HG21      THR   6  -2.764   6.005  -4.574
   34   2HG2  THR   6          HG22      THR   6  -1.117   5.673  -4.036
   35   3HG2  THR   6          HG23      THR   6  -1.428   6.997  -5.160
   36    H    ILE   7           HN       ILE   7  -3.955   6.917  -1.258
   37    HA   ILE   7           HA       ILE   7  -5.649   5.552  -0.600
   38    HB   ILE   7           HB       ILE   7  -7.253   6.673  -2.896
   39   1HG1  ILE   7          HG12      ILE   7  -7.150   7.728  -0.066
   40   2HG1  ILE   7          HG11      ILE   7  -6.221   8.426  -1.389
   41   1HG2  ILE   7          HG21      ILE   7  -9.094   6.240  -1.114
   42   2HG2  ILE   7          HG22      ILE   7  -7.903   5.148  -0.409
   43   3HG2  ILE   7          HG23      ILE   7  -8.466   4.892  -2.061
   44   1HD1  ILE   7          HD11      ILE   7  -8.789   8.330  -2.384
   45   2HD1  ILE   7          HD12      ILE   7  -7.970   9.747  -1.727
   46   3HD1  ILE   7          HD13      ILE   7  -9.009   8.769  -0.690
   47    H    CYS   8           HN       CYS   8  -5.096   3.497  -0.918
   48    HA   CYS   8           HA       CYS   8  -4.813   2.367  -3.554
   49   1HB   CYS   8          HB2       CYS   8  -4.376   1.423  -0.755
   50   2HB   CYS   8          HB1       CYS   8  -4.580   0.214  -2.018
   51    HA   PRO   9           HA       PRO   9  -8.703   0.503  -4.468
   52   1HB   PRO   9          HB2       PRO   9  -7.420  -2.158  -3.981
   53   2HB   PRO   9          HB1       PRO   9  -8.433  -1.631  -5.331
   54   1HG   PRO   9          HG2       PRO   9  -5.794  -1.790  -5.610
   55   2HG   PRO   9          HG1       PRO   9  -6.705  -0.456  -6.342
   56   1HD   PRO   9          HD2       PRO   9  -4.929  -0.454  -3.958
   57   2HD   PRO   9          HD1       PRO   9  -5.263   0.844  -5.120
   58    H    ASP  10           HN       ASP  10 -10.523  -0.295  -3.441
   59    HA   ASP  10           HA       ASP  10 -10.571  -0.207  -0.633
   60   1HB   ASP  10          HB2       ASP  10 -12.905  -0.868  -0.819
   61   2HB   ASP  10          HB1       ASP  10 -12.518   0.310  -2.069
   62    H    GLY  11           HN       GLY  11 -10.468  -1.734   0.923
   63   1HA   GLY  11          HA2       GLY  11 -10.425  -3.845   1.888
   64   2HA   GLY  11          HA1       GLY  11 -10.731  -4.544   0.306
   65    H    THR  12           HN       THR  12  -8.180  -2.352   0.192
   66    HA   THR  12           HA       THR  12  -6.202  -4.501   0.587
   67    HB   THR  12           HB       THR  12  -5.071  -4.023  -1.375
   68    HG1  THR  12           HG1      THR  12  -4.846  -1.795  -1.160
   69   1HG2  THR  12          HG21      THR  12  -7.959  -3.407  -2.008
   70   2HG2  THR  12          HG22      THR  12  -7.208  -5.002  -1.969
   71   3HG2  THR  12          HG23      THR  12  -6.731  -3.832  -3.200
   72    H    THR  13           HN       THR  13  -4.131  -3.866   1.292
   73    HA   THR  13           HA       THR  13  -3.999  -1.135   2.397
   74    HB   THR  13           HB       THR  13  -4.243  -2.684   4.228
   75    HG1  THR  13           HG1      THR  13  -2.590  -1.876   5.352
   76   1HG2  THR  13          HG21      THR  13  -3.586  -4.762   3.272
   77   2HG2  THR  13          HG22      THR  13  -2.465  -4.439   4.595
   78   3HG2  THR  13          HG23      THR  13  -1.963  -4.165   2.926
   79    H    CYS  14           HN       CYS  14  -1.925  -0.142   2.485
   80    HA   CYS  14           HA       CYS  14  -0.004  -1.294   0.572
   81   1HB   CYS  14          HB2       CYS  14   0.721   1.109   0.225
   82   2HB   CYS  14          HB1       CYS  14  -0.878   0.696  -0.383
   83    H    SER  15           HN       SER  15   1.953  -1.783   1.295
   84    HA   SER  15           HA       SER  15   2.825  -0.631   3.865
   85   1HB   SER  15          HB2       SER  15   4.021  -3.193   2.972
   86   2HB   SER  15          HB1       SER  15   3.549  -2.671   4.589
   87    HG   SER  15           HG       SER  15   2.172  -4.155   2.793
   88    H    LEU  16           HN       LEU  16   4.999  -0.053   4.096
   89    HA   LEU  16           HA       LEU  16   6.281   0.736   1.632
   90   1HB   LEU  16          HB2       LEU  16   6.166   1.845   4.114
   91   2HB   LEU  16          HB1       LEU  16   7.740   1.076   4.173
   92    HG   LEU  16           HG       LEU  16   6.859   3.088   2.100
   93   1HD1  LEU  16          HD11      LEU  16   7.280   3.814   4.549
   94   2HD1  LEU  16          HD12      LEU  16   8.046   4.711   3.238
   95   3HD1  LEU  16          HD13      LEU  16   8.977   3.531   4.160
   96   1HD2  LEU  16          HD21      LEU  16   9.479   1.674   2.557
   97   2HD2  LEU  16          HD22      LEU  16   9.295   3.102   1.538
   98   3HD2  LEU  16          HD23      LEU  16   8.456   1.607   1.122
   99    H    SER  17           HN       SER  17   7.578  -0.572   0.547
  100    HA   SER  17           HA       SER  17   8.678  -2.949   1.698
  101   1HB   SER  17          HB2       SER  17   8.955  -3.595  -0.447
  102   2HB   SER  17          HB1       SER  17   8.044  -2.144  -0.861
  103    HG   SER  17           HG       SER  17   9.998  -2.206  -2.001
  104    HA   PRO  18           HA       PRO  18  12.635  -1.633   3.129
  105   1HB   PRO  18          HB2       PRO  18  14.306  -3.509   1.975
  106   2HB   PRO  18          HB1       PRO  18  13.374  -3.763   3.454
  107   1HG   PRO  18          HG2       PRO  18  12.752  -4.602   0.653
  108   2HG   PRO  18          HG1       PRO  18  12.517  -5.490   2.170
  109   1HD   PRO  18          HD2       PRO  18  10.471  -4.292   0.923
  110   2HD   PRO  18          HD1       PRO  18  10.579  -4.327   2.696
  111    H    TYR  19           HN       TYR  19  11.906  -1.786  -0.194
  112    HA   TYR  19           HA       TYR  19  14.410  -0.591  -1.062
  113   1HB   TYR  19          HB2       TYR  19  11.979  -1.671  -2.418
  114   2HB   TYR  19          HB1       TYR  19  12.958  -0.489  -3.281
  115    HD1  TYR  19           HD1      TYR  19  13.025  -3.822  -1.677
  116    HD2  TYR  19           HD2      TYR  19  15.025  -1.102  -4.266
  117    HE1  TYR  19           HE1      TYR  19  14.565  -5.612  -2.357
  118    HE2  TYR  19           HE2      TYR  19  16.571  -2.885  -4.955
  119    HH   TYR  19           HH       TYR  19  17.168  -5.007  -4.702
  120    H    GLY  20           HN       GLY  20  11.001   0.283  -0.711
  121   1HA   GLY  20          HA2       GLY  20  10.687   2.615   0.148
  122   2HA   GLY  20          HA1       GLY  20  11.763   3.104  -1.152
  123    H    VAL  21           HN       VAL  21   9.166   0.712  -1.296
  124    HA   VAL  21           HA       VAL  21   7.677   2.515  -3.083
  125    HB   VAL  21           HB       VAL  21   8.918   0.807  -4.391
  126   1HG1  VAL  21          HG11      VAL  21   9.089  -1.123  -3.173
  127   2HG1  VAL  21          HG12      VAL  21   7.744  -1.541  -4.234
  128   3HG1  VAL  21          HG13      VAL  21   7.433  -1.025  -2.576
  129   1HG2  VAL  21          HG21      VAL  21   6.451  -0.226  -5.171
  130   2HG2  VAL  21          HG22      VAL  21   7.248   1.215  -5.802
  131   3HG2  VAL  21          HG23      VAL  21   6.087   1.356  -4.483
  132    H    TRP  22           HN       TRP  22   5.406   2.183  -3.169
  133    HA   TRP  22           HA       TRP  22   4.337   0.732  -0.834
  134   1HB   TRP  22          HB2       TRP  22   3.336   3.229  -2.219
  135   2HB   TRP  22          HB1       TRP  22   2.404   2.348  -1.015
  136    HD1  TRP  22           HD1      TRP  22   5.553   4.525  -1.347
  137    HE1  TRP  22           HE1      TRP  22   6.142   5.453   0.981
  138    HE3  TRP  22           HE3      TRP  22   2.155   1.923   1.448
  139    HZ2  TRP  22           HZ2      TRP  22   5.279   5.123   3.650
  140    HZ3  TRP  22           HZ3      TRP  22   2.101   2.286   3.881
  141    HH2  TRP  22           HH2      TRP  22   3.633   3.854   4.958
  142    H    TYR  23           HN       TYR  23   3.193  -1.031  -1.339
  143    HA   TYR  23           HA       TYR  23   1.683  -1.036  -3.867
  144   1HB   TYR  23          HB2       TYR  23   2.140  -3.583  -3.829
  145   2HB   TYR  23          HB1       TYR  23   3.420  -2.508  -4.376
  146    HD1  TYR  23           HD1      TYR  23   2.210  -4.264  -1.312
  147    HD2  TYR  23           HD2      TYR  23   5.538  -2.685  -3.442
  148    HE1  TYR  23           HE1      TYR  23   3.731  -5.237   0.356
  149    HE2  TYR  23           HE2      TYR  23   7.068  -3.653  -1.779
  150    HH   TYR  23           HH       TYR  23   6.759  -5.834  -0.043
  151    H    CYS  24           HN       CYS  24  -0.312  -2.057  -3.860
  152    HA   CYS  24           HA       CYS  24  -1.318  -2.828  -1.200
  153   1HB   CYS  24          HB2       CYS  24  -3.504  -2.079  -2.825
  154   2HB   CYS  24          HB1       CYS  24  -2.875  -1.240  -1.411
  155    H    SER  25           HN       SER  25  -2.375  -4.725  -1.007
  156    HA   SER  25           HA       SER  25  -3.312  -6.122  -3.385
  157   1HB   SER  25          HB2       SER  25  -0.805  -6.721  -2.263
  158   2HB   SER  25          HB1       SER  25  -1.884  -8.009  -1.727
  159    HG   SER  25           HG       SER  25  -0.884  -8.412  -3.781
  160    HA   PRO  26           HA       PRO  26  -6.423  -7.142  -0.369
  161   1HB   PRO  26          HB2       PRO  26  -8.058  -8.566  -1.946
  162   2HB   PRO  26          HB1       PRO  26  -7.871  -6.819  -2.142
  163   1HG   PRO  26          HG2       PRO  26  -6.650  -9.045  -3.722
  164   2HG   PRO  26          HG1       PRO  26  -7.329  -7.511  -4.291
  165   1HD   PRO  26          HD2       PRO  26  -4.639  -7.986  -3.945
  166   2HD   PRO  26          HD1       PRO  26  -5.383  -6.376  -3.909
  167    H    PHE  27           HN       PHE  27  -5.373  -8.500   1.080
  168    HA   PHE  27           HA       PHE  27  -5.704 -11.366   0.547
  169   1HB   PHE  27          HB2       PHE  27  -3.509 -11.653   1.900
  170   2HB   PHE  27          HB1       PHE  27  -3.402 -11.213   0.200
  171    HD1  PHE  27           HD1      PHE  27  -3.653  -9.544   3.532
  172    HD2  PHE  27           HD2      PHE  27  -1.941  -9.542  -0.364
  173    HE1  PHE  27           HE1      PHE  27  -2.298  -7.582   4.134
  174    HE2  PHE  27           HE2      PHE  27  -0.581  -7.579   0.232
  175    HZ   PHE  27           HZ       PHE  27  -0.759  -6.597   2.483
  176    H    SER  28           HN       SER  28  -5.110 -12.553   2.774
  177    HA   SER  28           HA       SER  28  -5.898 -13.058   4.848
  178   1HB   SER  28          HB2       SER  28  -4.289 -11.108   5.304
  179   2HB   SER  28          HB1       SER  28  -5.735 -10.114   5.478
  180    HG   SER  28           HG       SER  28  -4.913 -12.322   7.038
  Start of MODEL    3
    1   1H    HIS   1          HT1       HIS   1  -1.584  -9.682   1.309
    2   2H    HIS   1          HT2       HIS   1  -2.973  -8.918   1.897
    3   3H    HIS   1          HT3       HIS   1  -2.082  -9.942   2.906
    4    HA   HIS   1           HA       HIS   1  -1.715  -7.171   2.338
    5   1HB   HIS   1          HB2       HIS   1  -1.791  -8.793   4.518
    6   2HB   HIS   1          HB1       HIS   1  -0.052  -8.589   4.331
    7    HD1  HIS   1           HD1      HIS   1  -0.774  -5.529   3.163
    8    HD2  HIS   1           HD2      HIS   1  -1.490  -7.204   6.897
    9    HE1  HIS   1           HE1      HIS   1  -1.000  -3.584   4.739
   10    HE2  HIS   1           HE2      HIS   1  -1.339  -4.625   7.008
   11    H    CYS   2           HN       CYS   2   0.462  -6.172   2.437
   12    HA   CYS   2           HA       CYS   2   2.410  -7.728   0.866
   13   1HB   CYS   2          HB2       CYS   2   3.098  -5.643  -0.196
   14   2HB   CYS   2          HB1       CYS   2   1.372  -5.892  -0.416
   15    H    ASP   3           HN       ASP   3   4.501  -5.832   1.019
   16    HA   ASP   3           HA       ASP   3   6.292  -5.278   2.298
   17   1HB   ASP   3          HB2       ASP   3   4.027  -4.338   3.709
   18   2HB   ASP   3          HB1       ASP   3   5.099  -5.062   4.904
   19    H    ALA   4           HN       ALA   4   5.535  -8.038   1.986
   20    HA   ALA   4           HA       ALA   4   7.252  -9.183   3.981
   21   1HB   ALA   4          HB1       ALA   4   5.752 -10.620   5.067
   22   2HB   ALA   4          HB2       ALA   4   4.474 -10.318   3.889
   23   3HB   ALA   4          HB3       ALA   4   4.927  -9.061   5.040
   24    H    ALA   5           HN       ALA   5   5.438  -9.279   1.086
   25    HA   ALA   5           HA       ALA   5   7.117 -11.402   0.049
   26   1HB   ALA   5          HB1       ALA   5   5.441 -12.914  -0.550
   27   2HB   ALA   5          HB2       ALA   5   4.154 -11.741  -0.270
   28   3HB   ALA   5          HB3       ALA   5   5.018 -12.443   1.097
   29    H    THR   6           HN       THR   6   4.531  -9.068  -0.469
   30    HA   THR   6           HA       THR   6   5.119  -8.949  -3.329
   31    HB   THR   6           HB       THR   6   3.022  -7.430  -1.765
   32    HG1  THR   6           HG1      THR   6   2.518  -9.637  -3.460
   33   1HG2  THR   6          HG21      THR   6   2.022  -7.427  -4.185
   34   2HG2  THR   6          HG22      THR   6   3.703  -7.660  -4.666
   35   3HG2  THR   6          HG23      THR   6   3.242  -6.237  -3.731
   36    H    ILE   7           HN       ILE   7   4.593  -6.538  -0.754
   37    HA   ILE   7           HA       ILE   7   5.606  -4.566  -0.262
   38    HB   ILE   7           HB       ILE   7   7.898  -5.673  -1.890
   39   1HG1  ILE   7          HG12      ILE   7   7.868  -5.510   1.095
   40   2HG1  ILE   7          HG11      ILE   7   6.983  -6.816   0.314
   41   1HG2  ILE   7          HG21      ILE   7   7.989  -3.464   0.152
   42   2HG2  ILE   7          HG22      ILE   7   7.869  -3.180  -1.584
   43   3HG2  ILE   7          HG23      ILE   7   9.281  -4.002  -0.921
   44   1HD1  ILE   7          HD11      ILE   7   9.711  -6.709   0.929
   45   2HD1  ILE   7          HD12      ILE   7   9.596  -6.607  -0.828
   46   3HD1  ILE   7          HD13      ILE   7   8.852  -7.958   0.028
   47    H    CYS   8           HN       CYS   8   5.055  -2.657  -1.054
   48    HA   CYS   8           HA       CYS   8   4.475  -2.314  -3.839
   49   1HB   CYS   8          HB2       CYS   8   4.020  -0.839  -1.353
   50   2HB   CYS   8          HB1       CYS   8   4.384   0.211  -2.718
   51    HA   PRO   9           HA       PRO   9   8.216  -0.780  -5.580
   52   1HB   PRO   9          HB2       PRO   9   6.633   1.641  -6.334
   53   2HB   PRO   9          HB1       PRO   9   7.687   0.631  -7.332
   54   1HG   PRO   9          HG2       PRO   9   5.040   0.407  -7.501
   55   2HG   PRO   9          HG1       PRO   9   6.083  -1.025  -7.584
   56   1HD   PRO   9          HD2       PRO   9   4.353  -0.068  -5.359
   57   2HD   PRO   9          HD1       PRO   9   4.784  -1.725  -5.825
   58    H    ASP  10           HN       ASP  10   9.918   0.311  -4.783
   59    HA   ASP  10           HA       ASP  10  11.179   1.692  -3.494
   60   1HB   ASP  10          HB2       ASP  10   8.861   3.624  -3.503
   61   2HB   ASP  10          HB1       ASP  10  10.577   3.990  -3.343
   62    H    GLY  11           HN       GLY  11  10.696   3.364  -1.405
   63   1HA   GLY  11          HA2       GLY  11   9.953   1.495   0.656
   64   2HA   GLY  11          HA1       GLY  11  10.529   3.139   0.894
   65    H    THR  12           HN       THR  12   7.683   1.395  -0.332
   66    HA   THR  12           HA       THR  12   5.991   3.321   1.115
   67    HB   THR  12           HB       THR  12   4.361   3.294  -0.696
   68    HG1  THR  12           HG1      THR  12   6.167   1.420  -1.778
   69   1HG2  THR  12          HG21      THR  12   6.136   4.148  -2.559
   70   2HG2  THR  12          HG22      THR  12   7.122   4.237  -1.099
   71   3HG2  THR  12          HG23      THR  12   5.598   5.119  -1.189
   72    H    THR  13           HN       THR  13   3.904   2.518   1.737
   73    HA   THR  13           HA       THR  13   3.834  -0.419   1.967
   74    HB   THR  13           HB       THR  13   4.109   0.922   4.115
   75    HG1  THR  13           HG1      THR  13   3.107  -1.284   3.817
   76   1HG2  THR  13          HG21      THR  13   2.218   2.552   3.212
   77   2HG2  THR  13          HG22      THR  13   2.447   2.261   4.937
   78   3HG2  THR  13          HG23      THR  13   1.176   1.410   4.060
   79    H    CYS  14           HN       CYS  14   1.771  -1.454   1.836
   80    HA   CYS  14           HA       CYS  14  -0.209   0.136   0.341
   81   1HB   CYS  14          HB2       CYS  14  -0.707  -1.717  -0.993
   82   2HB   CYS  14          HB1       CYS  14   1.042  -1.802  -0.815
   83    H    SER  15           HN       SER  15  -2.377  -0.130   0.747
   84    HA   SER  15           HA       SER  15  -3.244  -1.893   2.887
   85   1HB   SER  15          HB2       SER  15  -2.667   0.845   3.388
   86   2HB   SER  15          HB1       SER  15  -4.420   0.664   3.420
   87    HG   SER  15           HG       SER  15  -4.133  -0.126   5.336
   88    H    LEU  16           HN       LEU  16  -5.483  -2.287   2.871
   89    HA   LEU  16           HA       LEU  16  -6.744  -1.637   0.324
   90   1HB   LEU  16          HB2       LEU  16  -6.685  -3.978   1.062
   91   2HB   LEU  16          HB1       LEU  16  -7.592  -3.551   2.500
   92    HG   LEU  16           HG       LEU  16  -9.528  -2.954   1.134
   93   1HD1  LEU  16          HD11      LEU  16  -7.594  -3.385  -1.078
   94   2HD1  LEU  16          HD12      LEU  16  -8.865  -2.176  -0.902
   95   3HD1  LEU  16          HD13      LEU  16  -9.279  -3.832  -1.346
   96   1HD2  LEU  16          HD21      LEU  16  -8.294  -5.645   1.000
   97   2HD2  LEU  16          HD22      LEU  16  -9.706  -5.347  -0.014
   98   3HD2  LEU  16          HD23      LEU  16  -9.812  -5.127   1.733
   99    H    SER  17           HN       SER  17  -7.846   0.201   0.272
  100    HA   SER  17           HA       SER  17  -9.004   1.422   2.573
  101   1HB   SER  17          HB2       SER  17  -8.355   2.220  -0.038
  102   2HB   SER  17          HB1       SER  17 -10.106   2.391   0.073
  103    HG   SER  17           HG       SER  17  -8.820   3.315   2.291
  104    HA   PRO  18           HA       PRO  18 -13.050  -0.319   2.759
  105   1HB   PRO  18          HB2       PRO  18 -14.699   1.881   2.804
  106   2HB   PRO  18          HB1       PRO  18 -13.799   1.285   4.202
  107   1HG   PRO  18          HG2       PRO  18 -13.123   3.512   2.321
  108   2HG   PRO  18          HG1       PRO  18 -12.962   3.449   4.087
  109   1HD   PRO  18          HD2       PRO  18 -10.845   3.109   2.478
  110   2HD   PRO  18          HD1       PRO  18 -11.015   2.190   3.989
  111    H    TYR  19           HN       TYR  19 -12.147   1.656   0.136
  112    HA   TYR  19           HA       TYR  19 -14.595   1.157  -1.369
  113   1HB   TYR  19          HB2       TYR  19 -12.090   2.616  -2.232
  114   2HB   TYR  19          HB1       TYR  19 -13.639   2.610  -3.067
  115    HD1  TYR  19           HD1      TYR  19 -11.607   4.295  -0.698
  116    HD2  TYR  19           HD2      TYR  19 -15.663   3.557  -1.751
  117    HE1  TYR  19           HE1      TYR  19 -12.294   6.279   0.582
  118    HE2  TYR  19           HE2      TYR  19 -16.361   5.539  -0.475
  119    HH   TYR  19           HH       TYR  19 -14.372   7.103   1.725
  120    H    GLY  20           HN       GLY  20 -12.082  -0.687  -0.619
  121   1HA   GLY  20          HA2       GLY  20 -11.255  -2.633  -1.524
  122   2HA   GLY  20          HA1       GLY  20 -12.451  -2.468  -2.801
  123    H    VAL  21           HN       VAL  21  -9.663  -0.476  -1.828
  124    HA   VAL  21           HA       VAL  21  -8.497  -0.934  -4.486
  125    HB   VAL  21           HB       VAL  21  -9.706   1.261  -4.411
  126   1HG1  VAL  21          HG11      VAL  21  -9.453   2.653  -2.702
  127   2HG1  VAL  21          HG12      VAL  21  -7.719   2.755  -3.012
  128   3HG1  VAL  21          HG13      VAL  21  -8.352   1.501  -1.945
  129   1HG2  VAL  21          HG21      VAL  21  -7.096   0.664  -5.353
  130   2HG2  VAL  21          HG22      VAL  21  -7.111   2.342  -4.812
  131   3HG2  VAL  21          HG23      VAL  21  -8.273   1.794  -6.020
  132    H    TRP  22           HN       TRP  22  -6.230  -0.724  -4.615
  133    HA   TRP  22           HA       TRP  22  -4.854  -0.757  -2.007
  134   1HB   TRP  22          HB2       TRP  22  -4.143  -2.265  -4.535
  135   2HB   TRP  22          HB1       TRP  22  -3.184  -2.257  -3.060
  136    HD1  TRP  22           HD1      TRP  22  -6.388  -3.709  -4.543
  137    HE1  TRP  22           HE1      TRP  22  -7.220  -5.605  -3.013
  138    HE3  TRP  22           HE3      TRP  22  -3.171  -3.062  -0.622
  139    HZ2  TRP  22           HZ2      TRP  22  -6.596  -6.683  -0.479
  140    HZ3  TRP  22           HZ3      TRP  22  -3.354  -4.567   1.316
  141    HH2  TRP  22           HH2      TRP  22  -5.032  -6.340   1.385
  142    H    TYR  23           HN       TYR  23  -3.457   0.863  -1.708
  143    HA   TYR  23           HA       TYR  23  -1.976   1.921  -3.992
  144   1HB   TYR  23          HB2       TYR  23  -2.457   4.257  -3.313
  145   2HB   TYR  23          HB1       TYR  23  -3.892   3.397  -3.857
  146    HD1  TYR  23           HD1      TYR  23  -5.699   2.909  -2.337
  147    HD2  TYR  23           HD2      TYR  23  -2.166   4.827  -0.943
  148    HE1  TYR  23           HE1      TYR  23  -6.854   3.507  -0.250
  149    HE2  TYR  23           HE2      TYR  23  -3.311   5.428   1.148
  150    HH   TYR  23           HH       TYR  23  -6.583   4.301   1.844
  151    H    CYS  24           HN       CYS  24  -0.031   2.975  -3.454
  152    HA   CYS  24           HA       CYS  24   0.840   2.564  -0.669
  153   1HB   CYS  24          HB2       CYS  24   3.065   2.666  -2.488
  154   2HB   CYS  24          HB1       CYS  24   2.591   1.374  -1.390
  155    H    SER  25           HN       SER  25   2.070   4.157   0.305
  156    HA   SER  25           HA       SER  25   2.392   6.654  -1.225
  157   1HB   SER  25          HB2       SER  25   0.827   6.179   1.134
  158   2HB   SER  25          HB1       SER  25   2.127   7.307   1.517
  159    HG   SER  25           HG       SER  25   1.415   8.648  -0.123
  160    HA   PRO  26           HA       PRO  26   6.638   6.340   0.022
  161   1HB   PRO  26          HB2       PRO  26   6.907   9.180  -0.610
  162   2HB   PRO  26          HB1       PRO  26   7.604   7.784  -1.434
  163   1HG   PRO  26          HG2       PRO  26   5.655   9.293  -2.542
  164   2HG   PRO  26          HG1       PRO  26   5.807   7.553  -2.850
  165   1HD   PRO  26          HD2       PRO  26   3.952   8.992  -0.984
  166   2HD   PRO  26          HD1       PRO  26   3.617   7.629  -2.075
  167    H    PHE  27           HN       PHE  27   4.403   8.619   1.339
  168    HA   PHE  27           HA       PHE  27   4.284   9.741   3.310
  169   1HB   PHE  27          HB2       PHE  27   6.107   7.458   4.008
  170   2HB   PHE  27          HB1       PHE  27   5.724   8.693   5.203
  171    HD1  PHE  27           HD1      PHE  27   3.085   9.236   5.296
  172    HD2  PHE  27           HD2      PHE  27   4.833   5.560   4.052
  173    HE1  PHE  27           HE1      PHE  27   0.992   8.062   5.837
  174    HE2  PHE  27           HE2      PHE  27   2.743   4.380   4.589
  175    HZ   PHE  27           HZ       PHE  27   0.818   5.631   5.482
  176    H    SER  28           HN       SER  28   5.910  10.932   1.441
  177    HA   SER  28           HA       SER  28   7.643  12.490   3.151
  178   1HB   SER  28          HB2       SER  28   9.425  11.153   2.620
  179   2HB   SER  28          HB1       SER  28   8.699  10.602   1.111
  180    HG   SER  28           HG       SER  28  10.539  12.455   1.421
  Start of MODEL    4
    1   1H    HIS   1          HT1       HIS   1   0.846  -1.906   6.670
    2   2H    HIS   1          HT2       HIS   1  -0.074  -1.896   5.251
    3   3H    HIS   1          HT3       HIS   1   1.565  -2.308   5.192
    4    HA   HIS   1           HA       HIS   1   1.196  -4.308   6.411
    5   1HB   HIS   1          HB2       HIS   1  -1.269  -4.867   6.907
    6   2HB   HIS   1          HB1       HIS   1  -0.475  -3.694   7.952
    7    HD1  HIS   1           HD1      HIS   1  -1.916  -2.899   4.551
    8    HD2  HIS   1           HD2      HIS   1  -2.682  -2.184   8.572
    9    HE1  HIS   1           HE1      HIS   1  -3.775  -1.207   4.589
   10    HE2  HIS   1           HE2      HIS   1  -4.246  -0.812   7.033
   11    H    CYS   2           HN       CYS   2   1.900  -4.439   4.081
   12    HA   CYS   2           HA       CYS   2   0.087  -4.767   1.972
   13   1HB   CYS   2          HB2       CYS   2   2.816  -6.025   2.312
   14   2HB   CYS   2          HB1       CYS   2   1.930  -5.890   0.796
   15    H    ASP   3           HN       ASP   3  -1.610  -6.099   2.251
   16    HA   ASP   3           HA       ASP   3  -1.074  -8.867   3.088
   17   1HB   ASP   3          HB2       ASP   3  -3.003  -7.061   3.970
   18   2HB   ASP   3          HB1       ASP   3  -3.887  -8.146   2.900
   19    H    ALA   4           HN       ALA   4  -2.905 -10.372   2.088
   20    HA   ALA   4           HA       ALA   4  -3.523 -11.531   0.230
   21   1HB   ALA   4          HB1       ALA   4  -4.972  -9.385   0.175
   22   2HB   ALA   4          HB2       ALA   4  -4.909 -10.416  -1.255
   23   3HB   ALA   4          HB3       ALA   4  -3.954  -8.934  -1.193
   24    H    ALA   5           HN       ALA   5  -3.277 -10.548  -2.544
   25    HA   ALA   5           HA       ALA   5  -0.461 -11.221  -2.905
   26   1HB   ALA   5          HB1       ALA   5  -1.956 -12.569  -4.176
   27   2HB   ALA   5          HB2       ALA   5  -1.125 -11.499  -5.305
   28   3HB   ALA   5          HB3       ALA   5  -2.785 -11.151  -4.819
   29    H    THR   6           HN       THR   6   0.186  -9.054  -2.135
   30    HA   THR   6           HA       THR   6   0.163  -7.133  -4.364
   31    HB   THR   6           HB       THR   6   0.213  -6.190  -1.510
   32    HG1  THR   6           HG1      THR   6  -1.741  -7.440  -1.955
   33   1HG2  THR   6          HG21      THR   6  -0.316  -4.091  -2.404
   34   2HG2  THR   6          HG22      THR   6  -0.871  -4.780  -3.929
   35   3HG2  THR   6          HG23      THR   6   0.850  -4.759  -3.547
   36    H    ILE   7           HN       ILE   7   1.714  -7.243  -1.158
   37    HA   ILE   7           HA       ILE   7   3.877  -6.908  -0.526
   38    HB   ILE   7           HB       ILE   7   4.697  -8.510  -2.929
   39   1HG1  ILE   7          HG12      ILE   7   3.797  -9.868  -0.422
   40   2HG1  ILE   7          HG11      ILE   7   2.579  -9.359  -1.587
   41   1HG2  ILE   7          HG21      ILE   7   6.213  -7.504  -1.007
   42   2HG2  ILE   7          HG22      ILE   7   6.538  -9.087  -1.714
   43   3HG2  ILE   7          HG23      ILE   7   5.695  -8.968  -0.170
   44   1HD1  ILE   7          HD11      ILE   7   4.905 -11.174  -2.173
   45   2HD1  ILE   7          HD12      ILE   7   3.642 -10.696  -3.308
   46   3HD1  ILE   7          HD13      ILE   7   3.239 -11.685  -1.904
   47    H    CYS   8           HN       CYS   8   3.596  -4.625  -1.208
   48    HA   CYS   8           HA       CYS   8   4.632  -3.708  -3.692
   49   1HB   CYS   8          HB2       CYS   8   3.746  -2.468  -1.136
   50   2HB   CYS   8          HB1       CYS   8   4.794  -1.508  -2.172
   51    HA   PRO   9           HA       PRO   9   9.016  -3.310  -3.358
   52   1HB   PRO   9          HB2       PRO   9   8.680  -0.369  -2.900
   53   2HB   PRO   9          HB1       PRO   9   9.780  -1.216  -3.995
   54   1HG   PRO   9          HG2       PRO   9   7.569  -0.080  -4.932
   55   2HG   PRO   9          HG1       PRO   9   8.111  -1.652  -5.550
   56   1HD   PRO   9          HD2       PRO   9   5.856  -1.011  -3.721
   57   2HD   PRO   9          HD1       PRO   9   6.011  -2.322  -4.905
   58    H    ASP  10           HN       ASP  10  10.672  -3.179  -1.834
   59    HA   ASP  10           HA       ASP  10   9.959  -3.474   0.849
   60   1HB   ASP  10          HB2       ASP  10  12.305  -3.724  -0.705
   61   2HB   ASP  10          HB1       ASP  10  12.703  -2.650   0.633
   62    H    GLY  11           HN       GLY  11  10.620  -0.618  -0.976
   63   1HA   GLY  11          HA2       GLY  11  10.928   0.962   1.485
   64   2HA   GLY  11          HA1       GLY  11  11.318   1.513  -0.136
   65    H    THR  12           HN       THR  12   8.354  -0.179   0.241
   66    HA   THR  12           HA       THR  12   6.844   2.327   0.472
   67    HB   THR  12           HB       THR  12   5.414   1.816  -1.377
   68    HG1  THR  12           HG1      THR  12   6.947  -0.499  -1.951
   69   1HG2  THR  12          HG21      THR  12   6.827   2.409  -3.062
   70   2HG2  THR  12          HG22      THR  12   8.001   1.154  -2.664
   71   3HG2  THR  12          HG23      THR  12   7.938   2.637  -1.711
   72    H    THR  13           HN       THR  13   4.632   2.052   1.116
   73    HA   THR  13           HA       THR  13   4.156  -0.507   2.497
   74    HB   THR  13           HB       THR  13   4.501   1.492   3.984
   75    HG1  THR  13           HG1      THR  13   2.115   1.005   4.882
   76   1HG2  THR  13          HG21      THR  13   3.520   3.345   3.070
   77   2HG2  THR  13          HG22      THR  13   2.210   2.827   4.130
   78   3HG2  THR  13          HG23      THR  13   2.160   2.437   2.410
   79    H    CYS  14           HN       CYS  14   1.942  -1.211   2.694
   80    HA   CYS  14           HA       CYS  14   0.263  -0.273   0.460
   81   1HB   CYS  14          HB2       CYS  14   0.110  -2.999   1.744
   82   2HB   CYS  14          HB1       CYS  14  -0.595  -2.481   0.217
   83    H    SER  15           HN       SER  15  -1.663   0.562   0.933
   84    HA   SER  15           HA       SER  15  -2.992  -0.167   3.431
   85   1HB   SER  15          HB2       SER  15  -1.973   2.545   2.722
   86   2HB   SER  15          HB1       SER  15  -3.531   2.440   3.541
   87    HG   SER  15           HG       SER  15  -1.990   2.556   5.118
   88    H    LEU  16           HN       LEU  16  -5.204  -0.108   3.338
   89    HA   LEU  16           HA       LEU  16  -6.339   0.325   0.674
   90   1HB   LEU  16          HB2       LEU  16  -6.737  -1.854   1.683
   91   2HB   LEU  16          HB1       LEU  16  -7.440  -1.097   3.099
   92    HG   LEU  16           HG       LEU  16  -9.271  -0.211   1.660
   93   1HD1  LEU  16          HD11      LEU  16  -7.994  -1.968  -0.431
   94   2HD1  LEU  16          HD12      LEU  16  -8.118  -0.209  -0.474
   95   3HD1  LEU  16          HD13      LEU  16  -9.576  -1.198  -0.565
   96   1HD2  LEU  16          HD21      LEU  16 -10.343  -1.997   2.418
   97   2HD2  LEU  16          HD22      LEU  16  -8.821  -2.877   2.554
   98   3HD2  LEU  16          HD23      LEU  16  -9.740  -2.931   1.049
   99    H    SER  17           HN       SER  17  -7.053   2.333   0.366
  100    HA   SER  17           HA       SER  17  -7.821   4.125   2.392
  101   1HB   SER  17          HB2       SER  17  -9.008   5.233   0.269
  102   2HB   SER  17          HB1       SER  17  -7.259   5.272   0.484
  103    HG   SER  17           HG       SER  17  -8.786   3.538  -1.148
  104    HA   PRO  18           HA       PRO  18 -11.987   3.165   3.452
  105   1HB   PRO  18          HB2       PRO  18 -13.216   5.638   3.159
  106   2HB   PRO  18          HB1       PRO  18 -12.334   5.100   4.591
  107   1HG   PRO  18          HG2       PRO  18 -11.420   6.836   2.341
  108   2HG   PRO  18          HG1       PRO  18 -11.067   6.962   4.074
  109   1HD   PRO  18          HD2       PRO  18  -9.266   5.981   2.348
  110   2HD   PRO  18          HD1       PRO  18  -9.431   5.320   3.988
  111    H    TYR  19           HN       TYR  19 -11.248   4.589   0.401
  112    HA   TYR  19           HA       TYR  19 -13.906   4.241  -0.692
  113   1HB   TYR  19          HB2       TYR  19 -11.284   5.229  -1.750
  114   2HB   TYR  19          HB1       TYR  19 -12.537   4.735  -2.883
  115    HD1  TYR  19           HD1      TYR  19 -13.828   6.440  -3.719
  116    HD2  TYR  19           HD2      TYR  19 -12.320   6.789   0.244
  117    HE1  TYR  19           HE1      TYR  19 -14.887   8.649  -3.518
  118    HE2  TYR  19           HE2      TYR  19 -13.376   9.000   0.457
  119    HH   TYR  19           HH       TYR  19 -15.036  10.514  -2.274
  120    H    GLY  20           HN       GLY  20 -10.828   2.565  -0.681
  121   1HA   GLY  20          HA2       GLY  20 -10.931   0.121  -0.855
  122   2HA   GLY  20          HA1       GLY  20 -12.118   0.339  -2.133
  123    H    VAL  21           HN       VAL  21  -9.011   1.967  -1.597
  124    HA   VAL  21           HA       VAL  21  -8.038   0.797  -4.117
  125    HB   VAL  21           HB       VAL  21  -7.497   3.647  -3.289
  126   1HG1  VAL  21          HG11      VAL  21  -7.149   3.547  -5.960
  127   2HG1  VAL  21          HG12      VAL  21  -6.680   1.905  -5.518
  128   3HG1  VAL  21          HG13      VAL  21  -5.856   3.284  -4.791
  129   1HG2  VAL  21          HG21      VAL  21  -9.717   3.886  -3.761
  130   2HG2  VAL  21          HG22      VAL  21  -9.755   2.481  -4.827
  131   3HG2  VAL  21          HG23      VAL  21  -9.066   4.001  -5.396
  132    H    TRP  22           HN       TRP  22  -5.757   0.587  -4.297
  133    HA   TRP  22           HA       TRP  22  -4.358   0.650  -1.703
  134   1HB   TRP  22          HB2       TRP  22  -3.934  -1.214  -4.050
  135   2HB   TRP  22          HB1       TRP  22  -2.965  -1.203  -2.581
  136    HD1  TRP  22           HD1      TRP  22  -6.341  -2.322  -3.935
  137    HE1  TRP  22           HE1      TRP  22  -7.463  -3.863  -2.206
  138    HE3  TRP  22           HE3      TRP  22  -3.105  -1.660  -0.030
  139    HZ2  TRP  22           HZ2      TRP  22  -7.035  -4.690   0.458
  140    HZ3  TRP  22           HZ3      TRP  22  -3.535  -2.863   2.073
  141    HH2  TRP  22           HH2      TRP  22  -5.460  -4.346   2.311
  142    H    TYR  23           HN       TYR  23  -2.592   1.888  -1.553
  143    HA   TYR  23           HA       TYR  23  -1.278   2.752  -4.041
  144   1HB   TYR  23          HB2       TYR  23  -0.867   4.952  -2.702
  145   2HB   TYR  23          HB1       TYR  23  -2.420   4.695  -3.490
  146    HD1  TYR  23           HD1      TYR  23  -4.432   4.489  -2.218
  147    HD2  TYR  23           HD2      TYR  23  -0.667   4.683  -0.244
  148    HE1  TYR  23           HE1      TYR  23  -5.582   4.833  -0.073
  149    HE2  TYR  23           HE2      TYR  23  -1.807   5.028   1.907
  150    HH   TYR  23           HH       TYR  23  -4.847   4.334   2.512
  151    H    CYS  24           HN       CYS  24   0.946   3.209  -3.905
  152    HA   CYS  24           HA       CYS  24   2.319   2.578  -1.407
  153   1HB   CYS  24          HB2       CYS  24   2.763   1.106  -4.009
  154   2HB   CYS  24          HB1       CYS  24   3.892   1.054  -2.659
  155    H    SER  25           HN       SER  25   3.760   4.126  -1.049
  156    HA   SER  25           HA       SER  25   5.171   5.310  -3.343
  157   1HB   SER  25          HB2       SER  25   3.249   6.718  -2.228
  158   2HB   SER  25          HB1       SER  25   4.462   7.013  -0.982
  159    HG   SER  25           HG       SER  25   5.015   8.556  -2.318
  160    HA   PRO  26           HA       PRO  26   8.741   4.509  -0.835
  161   1HB   PRO  26          HB2       PRO  26  10.591   5.877  -2.210
  162   2HB   PRO  26          HB1       PRO  26   9.825   4.432  -2.881
  163   1HG   PRO  26          HG2       PRO  26   9.249   7.314  -3.436
  164   2HG   PRO  26          HG1       PRO  26   9.338   5.953  -4.567
  165   1HD   PRO  26          HD2       PRO  26   6.991   6.988  -3.571
  166   2HD   PRO  26          HD1       PRO  26   7.177   5.326  -4.164
  167    H    PHE  27           HN       PHE  27   9.501   5.362   1.008
  168    HA   PHE  27           HA       PHE  27   9.157   8.242   1.452
  169   1HB   PHE  27          HB2       PHE  27   9.913   6.474   3.709
  170   2HB   PHE  27          HB1       PHE  27   8.759   7.802   3.655
  171    HD1  PHE  27           HD1      PHE  27   9.205   4.256   3.561
  172    HD2  PHE  27           HD2      PHE  27   6.513   7.398   2.566
  173    HE1  PHE  27           HE1      PHE  27   7.360   2.635   3.449
  174    HE2  PHE  27           HE2      PHE  27   4.662   5.781   2.455
  175    HZ   PHE  27           HZ       PHE  27   5.085   3.397   2.896
  176    H    SER  28           HN       SER  28  10.964   9.219   0.695
  177    HA   SER  28           HA       SER  28  13.430   8.725   2.148
  178   1HB   SER  28          HB2       SER  28  14.579   7.759   0.484
  179   2HB   SER  28          HB1       SER  28  13.074   7.640  -0.427
  180    HG   SER  28           HG       SER  28  15.080   9.613  -0.559
  Start of MODEL    5
    1   1H    HIS   1          HT1       HIS   1   4.040  -7.264  -5.490
    2   2H    HIS   1          HT2       HIS   1   2.416  -7.737  -5.500
    3   3H    HIS   1          HT3       HIS   1   3.560  -8.657  -4.659
    4    HA   HIS   1           HA       HIS   1   3.871  -7.012  -3.030
    5   1HB   HIS   1          HB2       HIS   1   3.020  -4.790  -3.223
    6   2HB   HIS   1          HB1       HIS   1   3.768  -5.171  -4.769
    7    HD1  HIS   1           HD1      HIS   1   0.699  -3.930  -3.309
    8    HD2  HIS   1           HD2      HIS   1   1.761  -5.908  -6.805
    9    HE1  HIS   1           HE1      HIS   1  -1.229  -3.590  -4.885
   10    HE2  HIS   1           HE2      HIS   1  -0.534  -4.734  -7.019
   11    H    CYS   2           HN       CYS   2   1.702  -5.612  -1.950
   12    HA   CYS   2           HA       CYS   2   0.207  -7.655  -0.783
   13   1HB   CYS   2          HB2       CYS   2  -1.273  -5.841   0.056
   14   2HB   CYS   2          HB1       CYS   2   0.437  -5.505   0.306
   15    H    ASP   3           HN       ASP   3  -1.079  -8.994  -1.875
   16    HA   ASP   3           HA       ASP   3  -3.330  -7.904  -3.335
   17   1HB   ASP   3          HB2       ASP   3  -1.789  -8.011  -5.154
   18   2HB   ASP   3          HB1       ASP   3  -1.215  -9.600  -4.662
   19    H    ALA   4           HN       ALA   4  -4.915  -8.893  -2.272
   20    HA   ALA   4           HA       ALA   4  -6.224 -10.510  -1.351
   21   1HB   ALA   4          HB1       ALA   4  -4.785 -12.037  -3.491
   22   2HB   ALA   4          HB2       ALA   4  -6.465 -11.500  -3.443
   23   3HB   ALA   4          HB3       ALA   4  -5.936 -12.836  -2.420
   24    H    ALA   5           HN       ALA   5  -3.833  -9.858   0.028
   25    HA   ALA   5           HA       ALA   5  -3.596 -12.227   1.681
   26   1HB   ALA   5          HB1       ALA   5  -1.322 -12.595   1.476
   27   2HB   ALA   5          HB2       ALA   5  -1.020 -10.997   0.793
   28   3HB   ALA   5          HB3       ALA   5  -1.793 -12.243  -0.187
   29    H    THR   6           HN       THR   6  -3.092  -8.846   1.095
   30    HA   THR   6           HA       THR   6  -2.521  -8.414   3.951
   31    HB   THR   6           HB       THR   6  -2.010  -6.584   1.598
   32    HG1  THR   6           HG1      THR   6  -0.464  -8.212   1.722
   33   1HG2  THR   6          HG21      THR   6  -2.230  -4.978   3.174
   34   2HG2  THR   6          HG22      THR   6  -0.623  -5.514   3.664
   35   3HG2  THR   6          HG23      THR   6  -2.049  -6.117   4.508
   36    H    ILE   7           HN       ILE   7  -4.291  -6.943   1.230
   37    HA   ILE   7           HA       ILE   7  -6.250  -5.799   1.116
   38    HB   ILE   7           HB       ILE   7  -6.868  -7.206   3.717
   39   1HG1  ILE   7          HG12      ILE   7  -8.172  -8.087   1.236
   40   2HG1  ILE   7          HG11      ILE   7  -6.430  -8.347   1.261
   41   1HG2  ILE   7          HG21      ILE   7  -9.068  -6.441   1.939
   42   2HG2  ILE   7          HG22      ILE   7  -8.215  -5.085   2.677
   43   3HG2  ILE   7          HG23      ILE   7  -8.934  -6.333   3.695
   44   1HD1  ILE   7          HD11      ILE   7  -8.562  -9.683   2.752
   45   2HD1  ILE   7          HD12      ILE   7  -7.134  -9.278   3.705
   46   3HD1  ILE   7          HD13      ILE   7  -6.976 -10.271   2.256
   47    H    CYS   8           HN       CYS   8  -5.383  -3.751   1.315
   48    HA   CYS   8           HA       CYS   8  -4.975  -2.567   3.924
   49   1HB   CYS   8          HB2       CYS   8  -4.440  -1.822   1.108
   50   2HB   CYS   8          HB1       CYS   8  -4.783  -0.481   2.197
   51    HA   PRO   9           HA       PRO   9  -8.763  -0.481   4.833
   52   1HB   PRO   9          HB2       PRO   9  -7.469   2.074   3.939
   53   2HB   PRO   9          HB1       PRO   9  -8.447   1.756   5.379
   54   1HG   PRO   9          HG2       PRO   9  -5.796   1.884   5.554
   55   2HG   PRO   9          HG1       PRO   9  -6.712   0.686   6.486
   56   1HD   PRO   9          HD2       PRO   9  -4.994   0.309   4.096
   57   2HD   PRO   9          HD1       PRO   9  -5.365  -0.822   5.411
   58    H    ASP  10           HN       ASP  10 -10.585  -0.367   3.685
   59    HA   ASP  10           HA       ASP  10 -10.737  -0.624   0.955
   60   1HB   ASP  10          HB2       ASP  10 -12.585  -1.029   2.612
   61   2HB   ASP  10          HB1       ASP  10 -12.856   0.711   2.646
   62    H    GLY  11           HN       GLY  11 -10.259   0.680  -0.669
   63   1HA   GLY  11          HA2       GLY  11 -10.585   2.668  -1.930
   64   2HA   GLY  11          HA1       GLY  11 -10.859   3.541  -0.431
   65    H    THR  12           HN       THR  12  -8.212   1.464  -0.197
   66    HA   THR  12           HA       THR  12  -6.341   3.612  -0.946
   67    HB   THR  12           HB       THR  12  -5.054   3.363   1.002
   68    HG1  THR  12           HG1      THR  12  -6.282   0.875   1.110
   69   1HG2  THR  12          HG21      THR  12  -7.977   3.504   1.428
   70   2HG2  THR  12          HG22      THR  12  -6.709   4.648   1.870
   71   3HG2  THR  12          HG23      THR  12  -6.993   3.218   2.863
   72    H    THR  13           HN       THR  13  -4.276   2.955  -1.630
   73    HA   THR  13           HA       THR  13  -4.055   0.095  -2.311
   74    HB   THR  13           HB       THR  13  -4.428   1.351  -4.344
   75    HG1  THR  13           HG1      THR  13  -2.222   0.956  -5.308
   76   1HG2  THR  13          HG21      THR  13  -3.373   3.295  -4.944
   77   2HG2  THR  13          HG22      THR  13  -1.914   2.915  -4.029
   78   3HG2  THR  13          HG23      THR  13  -3.359   3.482  -3.190
   79    H    CYS  14           HN       CYS  14  -2.064  -0.893  -2.043
   80    HA   CYS  14           HA       CYS  14  -0.050   0.712  -0.614
   81   1HB   CYS  14          HB2       CYS  14  -0.034  -0.833   0.998
   82   2HB   CYS  14          HB1       CYS  14  -1.387  -1.623   0.197
   83    H    SER  15           HN       SER  15   2.112   0.438  -1.069
   84    HA   SER  15           HA       SER  15   2.969  -1.429  -3.105
   85   1HB   SER  15          HB2       SER  15   3.950   1.149  -3.931
   86   2HB   SER  15          HB1       SER  15   3.033  -0.036  -4.860
   87    HG   SER  15           HG       SER  15   1.248   1.043  -4.492
   88    H    LEU  16           HN       LEU  16   5.083  -1.959  -2.887
   89    HA   LEU  16           HA       LEU  16   6.451  -1.217  -0.538
   90   1HB   LEU  16          HB2       LEU  16   6.831  -3.369  -1.537
   91   2HB   LEU  16          HB1       LEU  16   7.380  -2.636  -3.031
   92    HG   LEU  16           HG       LEU  16   9.353  -1.730  -1.816
   93   1HD1  LEU  16          HD11      LEU  16   9.542  -1.814   0.394
   94   2HD1  LEU  16          HD12      LEU  16   9.207  -3.546   0.418
   95   3HD1  LEU  16          HD13      LEU  16   7.876  -2.389   0.450
   96   1HD2  LEU  16          HD21      LEU  16   8.837  -4.681  -1.941
   97   2HD2  LEU  16          HD22      LEU  16  10.396  -4.040  -1.424
   98   3HD2  LEU  16          HD23      LEU  16   9.783  -3.672  -3.036
   99    H    SER  17           HN       SER  17   7.910   0.320  -0.107
  100    HA   SER  17           HA       SER  17   8.485   2.288  -2.174
  101   1HB   SER  17          HB2       SER  17   7.973   2.454   0.572
  102   2HB   SER  17          HB1       SER  17   9.690   2.826   0.416
  103    HG   SER  17           HG       SER  17   8.190   4.062  -1.487
  104    HA   PRO  18           HA       PRO  18  12.604   1.023  -3.102
  105   1HB   PRO  18          HB2       PRO  18  13.941   3.450  -2.958
  106   2HB   PRO  18          HB1       PRO  18  13.056   2.858  -4.365
  107   1HG   PRO  18          HG2       PRO  18  12.198   4.788  -2.258
  108   2HG   PRO  18          HG1       PRO  18  11.869   4.806  -4.000
  109   1HD   PRO  18          HD2       PRO  18  10.010   4.034  -2.223
  110   2HD   PRO  18          HD1       PRO  18  10.149   3.264  -3.818
  111    H    TYR  19           HN       TYR  19  11.842   2.623  -0.166
  112    HA   TYR  19           HA       TYR  19  14.474   2.223   1.000
  113   1HB   TYR  19          HB2       TYR  19  11.902   3.299   2.171
  114   2HB   TYR  19          HB1       TYR  19  13.426   3.193   3.046
  115    HD1  TYR  19           HD1      TYR  19  15.465   4.380   1.851
  116    HD2  TYR  19           HD2      TYR  19  11.374   5.280   1.109
  117    HE1  TYR  19           HE1      TYR  19  16.114   6.591   0.992
  118    HE2  TYR  19           HE2      TYR  19  12.011   7.493   0.246
  119    HH   TYR  19           HH       TYR  19  14.698   8.340  -0.842
  120    H    GLY  20           HN       GLY  20  11.292   0.768   1.026
  121   1HA   GLY  20          HA2       GLY  20  11.234  -1.650   1.434
  122   2HA   GLY  20          HA1       GLY  20  12.374  -1.380   2.743
  123    H    VAL  21           HN       VAL  21   9.357   0.317   1.899
  124    HA   VAL  21           HA       VAL  21   8.211  -0.609   4.442
  125    HB   VAL  21           HB       VAL  21   7.626   2.185   3.586
  126   1HG1  VAL  21          HG11      VAL  21   6.461   1.001   5.463
  127   2HG1  VAL  21          HG12      VAL  21   7.226   2.526   5.909
  128   3HG1  VAL  21          HG13      VAL  21   7.997   0.996   6.328
  129   1HG2  VAL  21          HG21      VAL  21   9.963   2.357   3.486
  130   2HG2  VAL  21          HG22      VAL  21  10.189   1.279   4.863
  131   3HG2  VAL  21          HG23      VAL  21   9.548   2.903   5.111
  132    H    TRP  22           HN       TRP  22   5.949  -0.705   4.527
  133    HA   TRP  22           HA       TRP  22   4.614  -0.556   1.901
  134   1HB   TRP  22          HB2       TRP  22   4.065  -2.433   4.213
  135   2HB   TRP  22          HB1       TRP  22   3.105  -2.345   2.740
  136    HD1  TRP  22           HD1      TRP  22   6.500  -3.549   4.035
  137    HE1  TRP  22           HE1      TRP  22   7.512  -5.166   2.308
  138    HE3  TRP  22           HE3      TRP  22   3.107  -2.933   0.260
  139    HZ2  TRP  22           HZ2      TRP  22   6.948  -6.061  -0.311
  140    HZ3  TRP  22           HZ3      TRP  22   3.416  -4.205  -1.822
  141    HH2  TRP  22           HH2      TRP  22   5.297  -5.736  -2.101
  142    H    TYR  23           HN       TYR  23   3.009   0.898   1.764
  143    HA   TYR  23           HA       TYR  23   1.371   1.475   4.097
  144   1HB   TYR  23          HB2       TYR  23   1.694   3.929   3.853
  145   2HB   TYR  23          HB1       TYR  23   3.151   3.088   4.370
  146    HD1  TYR  23           HD1      TYR  23   5.068   2.882   2.874
  147    HD2  TYR  23           HD2      TYR  23   1.561   4.968   1.668
  148    HE1  TYR  23           HE1      TYR  23   6.315   3.891   1.011
  149    HE2  TYR  23           HE2      TYR  23   2.799   5.982  -0.200
  150    HH   TYR  23           HH       TYR  23   4.943   5.283  -1.583
  151    H    CYS  24           HN       CYS  24  -0.653   2.269   3.622
  152    HA   CYS  24           HA       CYS  24  -1.314   2.461   0.757
  153   1HB   CYS  24          HB2       CYS  24  -3.680   1.863   2.129
  154   2HB   CYS  24          HB1       CYS  24  -2.741   0.773   1.113
  155    H    SER  25           HN       SER  25  -2.346   4.251   0.070
  156    HA   SER  25           HA       SER  25  -3.247   6.164   2.124
  157   1HB   SER  25          HB2       SER  25  -1.720   6.554  -0.419
  158   2HB   SER  25          HB1       SER  25  -2.788   7.842   0.138
  159    HG   SER  25           HG       SER  25  -1.604   8.021   1.992
  160    HA   PRO  26           HA       PRO  26  -7.190   5.865   0.087
  161   1HB   PRO  26          HB2       PRO  26  -8.529   7.689   1.509
  162   2HB   PRO  26          HB1       PRO  26  -7.982   6.177   2.246
  163   1HG   PRO  26          HG2       PRO  26  -6.778   8.910   2.414
  164   2HG   PRO  26          HG1       PRO  26  -6.990   7.700   3.692
  165   1HD   PRO  26          HD2       PRO  26  -4.635   8.128   2.322
  166   2HD   PRO  26          HD1       PRO  26  -5.061   6.610   3.136
  167    H    PHE  27           HN       PHE  27  -5.010   8.308  -0.315
  168    HA   PHE  27           HA       PHE  27  -4.789  10.041  -1.766
  169   1HB   PHE  27          HB2       PHE  27  -7.165   8.662  -3.015
  170   2HB   PHE  27          HB1       PHE  27  -6.398  10.074  -3.733
  171    HD1  PHE  27           HD1      PHE  27  -3.985   9.934  -4.405
  172    HD2  PHE  27           HD2      PHE  27  -6.260   6.516  -3.285
  173    HE1  PHE  27           HE1      PHE  27  -2.333   8.480  -5.505
  174    HE2  PHE  27           HE2      PHE  27  -4.612   5.055  -4.382
  175    HZ   PHE  27           HZ       PHE  27  -2.645   6.036  -5.494
  176    H    SER  28           HN       SER  28  -6.240  11.888  -2.884
  177    HA   SER  28           HA       SER  28  -8.380  12.727  -1.089
  178   1HB   SER  28          HB2       SER  28  -5.759  14.158  -1.431
  179   2HB   SER  28          HB1       SER  28  -7.226  15.059  -1.047
  180    HG   SER  28           HG       SER  28  -6.218  14.491   0.864
  Start of MODEL    6
    1   1H    HIS   1          HT1       HIS   1  -4.231   5.866   5.852
    2   2H    HIS   1          HT2       HIS   1  -4.864   7.435   5.859
    3   3H    HIS   1          HT3       HIS   1  -3.407   7.108   6.654
    4    HA   HIS   1           HA       HIS   1  -3.429   8.214   4.308
    5   1HB   HIS   1          HB2       HIS   1  -1.181   7.447   4.038
    6   2HB   HIS   1          HB1       HIS   1  -1.489   7.508   5.769
    7    HD1  HIS   1           HD1      HIS   1  -3.157   4.648   5.424
    8    HD2  HIS   1           HD2      HIS   1   0.826   5.501   4.605
    9    HE1  HIS   1           HE1      HIS   1  -1.963   2.438   5.521
   10    HE2  HIS   1           HE2      HIS   1   0.429   2.966   4.931
   11    H    CYS   2           HN       CYS   2  -4.901   5.274   4.649
   12    HA   CYS   2           HA       CYS   2  -5.186   4.962   1.794
   13   1HB   CYS   2          HB2       CYS   2  -3.224   3.440   3.135
   14   2HB   CYS   2          HB1       CYS   2  -4.562   2.346   2.807
   15    H    ASP   3           HN       ASP   3  -6.496   5.054   4.729
   16    HA   ASP   3           HA       ASP   3  -8.503   2.970   4.239
   17   1HB   ASP   3          HB2       ASP   3  -7.208   3.500   6.531
   18   2HB   ASP   3          HB1       ASP   3  -8.583   4.581   6.732
   19    H    ALA   4           HN       ALA   4  -8.086   5.998   3.301
   20    HA   ALA   4           HA       ALA   4 -10.851   6.857   3.815
   21   1HB   ALA   4          HB1       ALA   4  -8.954   8.394   4.420
   22   2HB   ALA   4          HB2       ALA   4 -10.168   9.084   3.344
   23   3HB   ALA   4          HB3       ALA   4  -8.621   8.542   2.695
   24    H    ALA   5           HN       ALA   5  -8.555   7.409   1.151
   25    HA   ALA   5           HA       ALA   5 -10.546   6.350  -0.728
   26   1HB   ALA   5          HB1       ALA   5 -10.979   8.618  -0.983
   27   2HB   ALA   5          HB2       ALA   5  -9.817   8.290  -2.268
   28   3HB   ALA   5          HB3       ALA   5  -9.286   9.067  -0.777
   29    H    THR   6           HN       THR   6  -7.275   7.753  -0.608
   30    HA   THR   6           HA       THR   6  -5.372   7.253  -1.767
   31    HB   THR   6           HB       THR   6  -5.496   5.589   0.147
   32    HG1  THR   6           HG1      THR   6  -3.555   5.847  -0.925
   33   1HG2  THR   6          HG21      THR   6  -5.502   3.197  -1.288
   34   2HG2  THR   6          HG22      THR   6  -6.912   4.081  -1.873
   35   3HG2  THR   6          HG23      THR   6  -6.729   3.753  -0.150
   36    H    ILE   7           HN       ILE   7  -4.635   4.825  -3.102
   37    HA   ILE   7           HA       ILE   7  -6.515   4.660  -5.335
   38    HB   ILE   7           HB       ILE   7  -4.464   4.783  -6.892
   39   1HG1  ILE   7          HG12      ILE   7  -3.348   6.533  -4.715
   40   2HG1  ILE   7          HG11      ILE   7  -2.920   4.828  -4.811
   41   1HG2  ILE   7          HG21      ILE   7  -4.588   7.376  -6.773
   42   2HG2  ILE   7          HG22      ILE   7  -5.830   7.080  -5.556
   43   3HG2  ILE   7          HG23      ILE   7  -6.031   6.453  -7.193
   44   1HD1  ILE   7          HD11      ILE   7  -2.605   6.019  -7.383
   45   2HD1  ILE   7          HD12      ILE   7  -1.393   5.273  -6.341
   46   3HD1  ILE   7          HD13      ILE   7  -1.762   6.989  -6.175
   47    H    CYS   8           HN       CYS   8  -6.127   2.729  -3.420
   48    HA   CYS   8           HA       CYS   8  -4.535   0.689  -4.826
   49   1HB   CYS   8          HB2       CYS   8  -5.204   1.002  -1.901
   50   2HB   CYS   8          HB1       CYS   8  -4.610  -0.513  -2.572
   51    HA   PRO   9           HA       PRO   9  -8.056  -1.718  -5.899
   52   1HB   PRO   9          HB2       PRO   9  -6.691  -4.010  -4.569
   53   2HB   PRO   9          HB1       PRO   9  -7.360  -3.890  -6.200
   54   1HG   PRO   9          HG2       PRO   9  -4.732  -3.778  -5.806
   55   2HG   PRO   9          HG1       PRO   9  -5.515  -2.743  -7.015
   56   1HD   PRO   9          HD2       PRO   9  -4.477  -2.045  -4.306
   57   2HD   PRO   9          HD1       PRO   9  -4.475  -1.085  -5.799
   58    H    ASP  10           HN       ASP  10  -9.703  -3.231  -4.981
   59    HA   ASP  10           HA       ASP  10 -10.633  -2.246  -2.483
   60   1HB   ASP  10          HB2       ASP  10 -12.351  -4.170  -2.828
   61   2HB   ASP  10          HB1       ASP  10 -12.353  -2.811  -3.948
   62    H    GLY  11           HN       GLY  11  -9.998  -2.867  -0.532
   63   1HA   GLY  11          HA2       GLY  11  -9.618  -4.351   1.222
   64   2HA   GLY  11          HA1       GLY  11  -9.661  -5.680   0.075
   65    H    THR  12           HN       THR  12  -7.615  -2.877  -0.363
   66    HA   THR  12           HA       THR  12  -5.276  -4.487   0.412
   67    HB   THR  12           HB       THR  12  -4.015  -3.655  -1.493
   68    HG1  THR  12           HG1      THR  12  -6.130  -1.953  -1.693
   69   1HG2  THR  12          HG21      THR  12  -6.022  -4.540  -3.235
   70   2HG2  THR  12          HG22      THR  12  -6.324  -5.367  -1.706
   71   3HG2  THR  12          HG23      THR  12  -4.750  -5.509  -2.490
   72    H    THR  13           HN       THR  13  -3.406  -3.269   1.021
   73    HA   THR  13           HA       THR  13  -4.017  -0.496   1.816
   74    HB   THR  13           HB       THR  13  -3.951  -1.948   3.784
   75    HG1  THR  13           HG1      THR  13  -2.874   0.259   3.661
   76   1HG2  THR  13          HG21      THR  13  -2.582  -3.760   3.110
   77   2HG2  THR  13          HG22      THR  13  -1.702  -2.949   4.405
   78   3HG2  THR  13          HG23      THR  13  -1.231  -2.693   2.726
   79    H    CYS  14           HN       CYS  14  -2.208   0.960   1.928
   80    HA   CYS  14           HA       CYS  14  -0.007   0.169   0.135
   81   1HB   CYS  14          HB2       CYS  14   0.166   2.554  -0.474
   82   2HB   CYS  14          HB1       CYS  14  -1.423   1.895  -0.850
   83    H    SER  15           HN       SER  15   2.044   0.411   0.797
   84    HA   SER  15           HA       SER  15   2.642   2.044   3.135
   85   1HB   SER  15          HB2       SER  15   2.332  -0.767   3.319
   86   2HB   SER  15          HB1       SER  15   4.061  -0.436   3.430
   87    HG   SER  15           HG       SER  15   2.284   1.134   4.920
   88    H    LEU  16           HN       LEU  16   4.795   2.698   3.274
   89    HA   LEU  16           HA       LEU  16   6.223   2.606   0.758
   90   1HB   LEU  16          HB2       LEU  16   5.918   4.529   2.671
   91   2HB   LEU  16          HB1       LEU  16   7.510   3.909   3.061
   92    HG   LEU  16           HG       LEU  16   6.695   4.952   0.347
   93   1HD1  LEU  16          HD11      LEU  16   8.446   6.275   2.408
   94   2HD1  LEU  16          HD12      LEU  16   6.746   6.672   2.155
   95   3HD1  LEU  16          HD13      LEU  16   7.915   6.936   0.861
   96   1HD2  LEU  16          HD21      LEU  16   9.237   3.851   1.477
   97   2HD2  LEU  16          HD22      LEU  16   9.274   5.033   0.169
   98   3HD2  LEU  16          HD23      LEU  16   8.448   3.491  -0.058
   99    H    SER  17           HN       SER  17   8.126   1.602   0.357
  100    HA   SER  17           HA       SER  17   9.041  -0.321   2.365
  101   1HB   SER  17          HB2       SER  17   9.186  -1.703   0.607
  102   2HB   SER  17          HB1       SER  17   8.724  -0.393  -0.479
  103    HG   SER  17           HG       SER  17  10.693  -0.428  -1.173
  104    HA   PRO  18           HA       PRO  18  12.811   1.776   3.265
  105   1HB   PRO  18          HB2       PRO  18  14.661  -0.240   3.224
  106   2HB   PRO  18          HB1       PRO  18  13.522   0.024   4.548
  107   1HG   PRO  18          HG2       PRO  18  13.366  -1.910   2.271
  108   2HG   PRO  18          HG1       PRO  18  12.972  -2.160   3.982
  109   1HD   PRO  18          HD2       PRO  18  11.065  -1.746   2.127
  110   2HD   PRO  18          HD1       PRO  18  10.908  -1.135   3.787
  111    H    TYR  19           HN       TYR  19  12.233   0.486   0.257
  112    HA   TYR  19           HA       TYR  19  14.828   1.335  -0.824
  113   1HB   TYR  19          HB2       TYR  19  12.622  -0.323  -2.066
  114   2HB   TYR  19          HB1       TYR  19  14.099   0.157  -2.898
  115    HD1  TYR  19           HD1      TYR  19  16.332  -0.575  -1.801
  116    HD2  TYR  19           HD2      TYR  19  12.564  -2.317  -0.869
  117    HE1  TYR  19           HE1      TYR  19  17.477  -2.566  -0.926
  118    HE2  TYR  19           HE2      TYR  19  13.699  -4.314   0.010
  119    HH   TYR  19           HH       TYR  19  16.559  -5.243  -0.642
  120    H    GLY  20           HN       GLY  20  11.607   2.328  -0.479
  121   1HA   GLY  20          HA2       GLY  20  10.870   4.508  -1.022
  122   2HA   GLY  20          HA1       GLY  20  12.107   4.590  -2.267
  123    H    VAL  21           HN       VAL  21   9.672   2.075  -1.716
  124    HA   VAL  21           HA       VAL  21   8.413   2.819  -4.270
  125    HB   VAL  21           HB       VAL  21   8.648  -0.065  -3.495
  126   1HG1  VAL  21          HG11      VAL  21   7.855   1.511  -5.847
  127   2HG1  VAL  21          HG12      VAL  21   7.307  -0.074  -5.302
  128   3HG1  VAL  21          HG13      VAL  21   8.822   0.077  -6.192
  129   1HG2  VAL  21          HG21      VAL  21  10.938   1.063  -3.518
  130   2HG2  VAL  21          HG22      VAL  21  10.685   1.274  -5.250
  131   3HG2  VAL  21          HG23      VAL  21  10.723  -0.347  -4.555
  132    H    TRP  22           HN       TRP  22   6.207   2.304  -4.479
  133    HA   TRP  22           HA       TRP  22   4.850   1.732  -1.923
  134   1HB   TRP  22          HB2       TRP  22   4.014   3.483  -4.240
  135   2HB   TRP  22          HB1       TRP  22   2.908   2.992  -2.961
  136    HD1  TRP  22           HD1      TRP  22   5.951   5.231  -3.593
  137    HE1  TRP  22           HE1      TRP  22   6.137   6.922  -1.662
  138    HE3  TRP  22           HE3      TRP  22   2.330   3.349  -0.506
  139    HZ2  TRP  22           HZ2      TRP  22   4.911   7.398   0.836
  140    HZ3  TRP  22           HZ3      TRP  22   1.900   4.484   1.633
  141    HH2  TRP  22           HH2      TRP  22   3.165   6.465   2.290
  142    H    TYR  23           HN       TYR  23   3.207   0.230  -1.896
  143    HA   TYR  23           HA       TYR  23   2.240  -0.932  -4.364
  144   1HB   TYR  23          HB2       TYR  23   2.819  -3.279  -3.425
  145   2HB   TYR  23          HB1       TYR  23   4.082  -2.359  -4.236
  146    HD1  TYR  23           HD1      TYR  23   5.872  -1.283  -2.910
  147    HD2  TYR  23           HD2      TYR  23   2.971  -3.811  -1.097
  148    HE1  TYR  23           HE1      TYR  23   7.309  -1.499  -0.927
  149    HE2  TYR  23           HE2      TYR  23   4.398  -4.031   0.893
  150    HH   TYR  23           HH       TYR  23   7.329  -3.651   1.108
  151    H    CYS  24           HN       CYS  24   0.393  -2.286  -4.071
  152    HA   CYS  24           HA       CYS  24  -0.890  -1.923  -1.444
  153   1HB   CYS  24          HB2       CYS  24  -2.392  -2.328  -4.021
  154   2HB   CYS  24          HB1       CYS  24  -2.986  -1.678  -2.497
  155    H    SER  25           HN       SER  25  -1.150  -3.722  -0.325
  156    HA   SER  25           HA       SER  25  -1.681  -6.229  -1.769
  157   1HB   SER  25          HB2       SER  25   0.549  -5.598   0.013
  158   2HB   SER  25          HB1       SER  25  -0.339  -7.038   0.511
  159    HG   SER  25           HG       SER  25  -0.117  -7.413  -1.983
  160    HA   PRO  26           HA       PRO  26  -5.029  -6.471   1.134
  161   1HB   PRO  26          HB2       PRO  26  -5.904  -8.943   0.606
  162   2HB   PRO  26          HB1       PRO  26  -6.046  -7.643  -0.585
  163   1HG   PRO  26          HG2       PRO  26  -4.023  -9.844  -0.416
  164   2HG   PRO  26          HG1       PRO  26  -4.880  -9.220  -1.838
  165   1HD   PRO  26          HD2       PRO  26  -2.318  -8.507  -1.152
  166   2HD   PRO  26          HD1       PRO  26  -3.410  -7.484  -2.106
  167    H    PHE  27           HN       PHE  27  -2.282  -7.153   2.120
  168    HA   PHE  27           HA       PHE  27  -3.107  -8.514   4.506
  169   1HB   PHE  27          HB2       PHE  27  -1.171 -10.227   4.230
  170   2HB   PHE  27          HB1       PHE  27  -2.710 -10.543   3.437
  171    HD1  PHE  27           HD1      PHE  27   0.575  -8.911   2.762
  172    HD2  PHE  27           HD2      PHE  27  -2.698 -11.153   1.224
  173    HE1  PHE  27           HE1      PHE  27   1.738  -9.118   0.604
  174    HE2  PHE  27           HE2      PHE  27  -1.541 -11.366  -0.938
  175    HZ   PHE  27           HZ       PHE  27   0.680 -10.348  -1.250
  176    H    SER  28           HN       SER  28  -2.126  -5.954   4.024
  177    HA   SER  28           HA       SER  28  -0.600  -4.441   4.764
  178   1HB   SER  28          HB2       SER  28   0.340  -6.653   6.602
  179   2HB   SER  28          HB1       SER  28   0.522  -4.916   6.846
  180    HG   SER  28           HG       SER  28  -1.228  -5.483   8.032
  Start of MODEL    7
    1   1H    HIS   1          HT1       HIS   1   4.036   8.134   0.210
    2   2H    HIS   1          HT2       HIS   1   4.954   7.084  -0.747
    3   3H    HIS   1          HT3       HIS   1   3.781   6.464   0.301
    4    HA   HIS   1           HA       HIS   1   3.277   8.150  -2.083
    5   1HB   HIS   1          HB2       HIS   1   3.787   6.043  -2.923
    6   2HB   HIS   1          HB1       HIS   1   3.146   5.211  -1.512
    7    HD1  HIS   1           HD1      HIS   1   0.426   5.260  -1.343
    8    HD2  HIS   1           HD2      HIS   1   2.098   6.105  -5.050
    9    HE1  HIS   1           HE1      HIS   1  -1.437   4.962  -3.003
   10    HE2  HIS   1           HE2      HIS   1  -0.366   5.344  -5.250
   11    H    CYS   2           HN       CYS   2   1.835   6.187   0.515
   12    HA   CYS   2           HA       CYS   2  -0.831   6.767   0.091
   13   1HB   CYS   2          HB2       CYS   2   0.375   6.560   2.846
   14   2HB   CYS   2          HB1       CYS   2  -1.236   6.077   2.327
   15    H    ASP   3           HN       ASP   3  -1.461   8.778  -0.392
   16    HA   ASP   3           HA       ASP   3  -0.506  11.067   1.093
   17   1HB   ASP   3          HB2       ASP   3  -0.766  11.571  -1.167
   18   2HB   ASP   3          HB1       ASP   3  -2.272  10.667  -1.299
   19    H    ALA   4           HN       ALA   4  -1.308  11.360   3.060
   20    HA   ALA   4           HA       ALA   4  -2.750  11.529   4.810
   21   1HB   ALA   4          HB1       ALA   4  -5.009  12.588   4.118
   22   2HB   ALA   4          HB2       ALA   4  -4.281  12.680   2.513
   23   3HB   ALA   4          HB3       ALA   4  -3.520  13.501   3.875
   24    H    ALA   5           HN       ALA   5  -5.581  11.021   2.879
   25    HA   ALA   5           HA       ALA   5  -5.909   8.370   4.119
   26   1HB   ALA   5          HB1       ALA   5  -8.145   8.779   4.466
   27   2HB   ALA   5          HB2       ALA   5  -8.240   9.971   3.169
   28   3HB   ALA   5          HB3       ALA   5  -7.467  10.390   4.697
   29    H    THR   6           HN       THR   6  -4.502   8.312   1.846
   30    HA   THR   6           HA       THR   6  -5.935   8.201  -0.561
   31    HB   THR   6           HB       THR   6  -3.380   6.856   0.310
   32    HG1  THR   6           HG1      THR   6  -2.968   8.489  -1.669
   33   1HG2  THR   6          HG21      THR   6  -5.028   6.137  -1.912
   34   2HG2  THR   6          HG22      THR   6  -3.450   5.497  -1.453
   35   3HG2  THR   6          HG23      THR   6  -3.557   6.902  -2.513
   36    H    ILE   7           HN       ILE   7  -5.085   5.626   1.738
   37    HA   ILE   7           HA       ILE   7  -5.672   3.399   1.771
   38    HB   ILE   7           HB       ILE   7  -7.339   4.404   3.176
   39   1HG1  ILE   7          HG12      ILE   7  -8.844   2.492   1.395
   40   2HG1  ILE   7          HG11      ILE   7  -7.531   1.964   2.444
   41   1HG2  ILE   7          HG21      ILE   7  -8.872   4.921   0.641
   42   2HG2  ILE   7          HG22      ILE   7  -8.254   6.105   1.792
   43   3HG2  ILE   7          HG23      ILE   7  -9.576   5.034   2.254
   44   1HD1  ILE   7          HD11      ILE   7  -9.734   1.607   3.446
   45   2HD1  ILE   7          HD12      ILE   7 -10.042   3.342   3.366
   46   3HD1  ILE   7          HD13      ILE   7  -8.749   2.722   4.392
   47    H    CYS   8           HN       CYS   8  -4.921   2.620  -0.197
   48    HA   CYS   8           HA       CYS   8  -5.936   2.805  -2.700
   49   1HB   CYS   8          HB2       CYS   8  -4.251   0.946  -1.299
   50   2HB   CYS   8          HB1       CYS   8  -5.288   0.072  -2.420
   51    HA   PRO   9           HA       PRO   9  -9.960   1.001  -2.729
   52   1HB   PRO   9          HB2       PRO   9 -10.198   0.329  -5.329
   53   2HB   PRO   9          HB1       PRO   9 -10.180   2.012  -4.790
   54   1HG   PRO   9          HG2       PRO   9  -7.957   0.373  -5.949
   55   2HG   PRO   9          HG1       PRO   9  -8.423   2.043  -6.318
   56   1HD   PRO   9          HD2       PRO   9  -6.365   1.413  -4.656
   57   2HD   PRO   9          HD1       PRO   9  -7.340   2.886  -4.472
   58    H    ASP  10           HN       ASP  10 -11.070  -1.004  -3.948
   59    HA   ASP  10           HA       ASP  10 -11.384  -3.250  -3.918
   60   1HB   ASP  10          HB2       ASP  10  -9.244  -2.852  -5.494
   61   2HB   ASP  10          HB1       ASP  10  -8.497  -3.853  -4.252
   62    H    GLY  11           HN       GLY  11 -10.761  -1.889  -1.420
   63   1HA   GLY  11          HA2       GLY  11 -10.347  -2.397   0.779
   64   2HA   GLY  11          HA1       GLY  11 -10.689  -4.058   0.320
   65    H    THR  12           HN       THR  12  -8.040  -2.021  -0.820
   66    HA   THR  12           HA       THR  12  -6.162  -3.930   0.413
   67    HB   THR  12           HB       THR  12  -4.617  -3.528  -1.380
   68    HG1  THR  12           HG1      THR  12  -5.033  -1.320  -1.746
   69   1HG2  THR  12          HG21      THR  12  -7.200  -4.614  -1.789
   70   2HG2  THR  12          HG22      THR  12  -5.706  -5.010  -2.637
   71   3HG2  THR  12          HG23      THR  12  -6.760  -3.738  -3.255
   72    H    THR  13           HN       THR  13  -4.152  -3.091   1.202
   73    HA   THR  13           HA       THR  13  -4.329  -0.259   2.001
   74    HB   THR  13           HB       THR  13  -4.498  -1.575   3.972
   75    HG1  THR  13           HG1      THR  13  -2.055  -1.232   4.697
   76   1HG2  THR  13          HG21      THR  13  -2.518  -3.194   4.474
   77   2HG2  THR  13          HG22      THR  13  -2.316  -3.199   2.722
   78   3HG2  THR  13          HG23      THR  13  -3.838  -3.732   3.436
   79    H    CYS  14           HN       CYS  14  -2.328   0.917   2.209
   80    HA   CYS  14           HA       CYS  14  -0.245  -0.097   0.388
   81   1HB   CYS  14          HB2       CYS  14   0.280   2.272  -0.083
   82   2HB   CYS  14          HB1       CYS  14  -1.380   1.864  -0.505
   83    H    SER  15           HN       SER  15   1.834  -0.150   1.034
   84    HA   SER  15           HA       SER  15   2.669   1.242   3.447
   85   1HB   SER  15          HB2       SER  15   3.447  -0.723   4.596
   86   2HB   SER  15          HB1       SER  15   1.755  -0.989   4.179
   87    HG   SER  15           HG       SER  15   3.708  -2.574   3.629
   88    H    LEU  16           HN       LEU  16   4.973   1.307   3.714
   89    HA   LEU  16           HA       LEU  16   6.354   1.306   1.177
   90   1HB   LEU  16          HB2       LEU  16   6.724   3.173   2.633
   91   2HB   LEU  16          HB1       LEU  16   7.179   2.123   3.959
   92    HG   LEU  16           HG       LEU  16   9.213   1.465   2.732
   93   1HD1  LEU  16          HD11      LEU  16   7.859   2.821   0.570
   94   2HD1  LEU  16          HD12      LEU  16   9.244   1.731   0.525
   95   3HD1  LEU  16          HD13      LEU  16   9.487   3.454   0.812
   96   1HD2  LEU  16          HD21      LEU  16  10.186   3.908   2.694
   97   2HD2  LEU  16          HD22      LEU  16   9.719   3.138   4.211
   98   3HD2  LEU  16          HD23      LEU  16   8.636   4.298   3.441
   99    H    SER  17           HN       SER  17   8.050   0.036   0.569
  100    HA   SER  17           HA       SER  17   8.369  -2.457   2.052
  101   1HB   SER  17          HB2       SER  17   8.021  -2.065  -0.585
  102   2HB   SER  17          HB1       SER  17   9.784  -2.034  -0.529
  103    HG   SER  17           HG       SER  17   8.275  -4.088   0.694
  104    HA   PRO  18           HA       PRO  18  12.307  -1.640   3.855
  105   1HB   PRO  18          HB2       PRO  18  13.250  -4.162   2.578
  106   2HB   PRO  18          HB1       PRO  18  13.321  -3.664   4.273
  107   1HG   PRO  18          HG2       PRO  18  11.539  -5.466   3.469
  108   2HG   PRO  18          HG1       PRO  18  11.106  -4.234   4.669
  109   1HD   PRO  18          HD2       PRO  18  10.410  -4.384   1.768
  110   2HD   PRO  18          HD1       PRO  18   9.438  -3.802   3.135
  111    H    TYR  19           HN       TYR  19  12.174  -2.583   0.475
  112    HA   TYR  19           HA       TYR  19  14.815  -1.510  -0.075
  113   1HB   TYR  19          HB2       TYR  19  13.033  -2.227  -2.327
  114   2HB   TYR  19          HB1       TYR  19  14.726  -2.626  -2.057
  115    HD1  TYR  19           HD1      TYR  19  11.530  -3.967  -2.300
  116    HD2  TYR  19           HD2      TYR  19  15.082  -4.304   0.019
  117    HE1  TYR  19           HE1      TYR  19  10.877  -6.244  -1.641
  118    HE2  TYR  19           HE2      TYR  19  14.438  -6.583   0.684
  119    HH   TYR  19           HH       TYR  19  12.145  -8.368  -0.854
  120    H    GLY  20           HN       GLY  20  11.505  -0.515  -0.230
  121   1HA   GLY  20          HA2       GLY  20  11.119   1.902  -0.249
  122   2HA   GLY  20          HA1       GLY  20  12.377   2.020  -1.470
  123    H    VAL  21           HN       VAL  21   9.443   0.036  -1.059
  124    HA   VAL  21           HA       VAL  21   8.493   1.040  -3.653
  125    HB   VAL  21           HB       VAL  21   8.457  -1.861  -2.808
  126   1HG1  VAL  21          HG11      VAL  21   7.413  -0.516  -5.297
  127   2HG1  VAL  21          HG12      VAL  21   6.456  -1.303  -4.042
  128   3HG1  VAL  21          HG13      VAL  21   7.530  -2.259  -5.063
  129   1HG2  VAL  21          HG21      VAL  21   9.941  -2.200  -4.746
  130   2HG2  VAL  21          HG22      VAL  21  10.670  -1.169  -3.515
  131   3HG2  VAL  21          HG23      VAL  21  10.003  -0.453  -4.982
  132    H    TRP  22           HN       TRP  22   6.312   1.337  -3.830
  133    HA   TRP  22           HA       TRP  22   4.719   0.782  -1.413
  134   1HB   TRP  22          HB2       TRP  22   4.408   3.025  -3.422
  135   2HB   TRP  22          HB1       TRP  22   3.331   2.731  -2.061
  136    HD1  TRP  22           HD1      TRP  22   6.919   3.891  -2.825
  137    HE1  TRP  22           HE1      TRP  22   7.788   5.218  -0.798
  138    HE3  TRP  22           HE3      TRP  22   3.037   3.081   0.402
  139    HZ2  TRP  22           HZ2      TRP  22   6.940   5.840   1.823
  140    HZ3  TRP  22           HZ3      TRP  22   3.144   4.076   2.650
  141    HH2  TRP  22           HH2      TRP  22   5.057   5.426   3.345
  142    H    TYR  23           HN       TYR  23   3.118  -0.637  -1.655
  143    HA   TYR  23           HA       TYR  23   1.679  -0.801  -4.184
  144   1HB   TYR  23          HB2       TYR  23   1.910  -3.282  -4.247
  145   2HB   TYR  23          HB1       TYR  23   3.427  -2.433  -4.525
  146    HD1  TYR  23           HD1      TYR  23   1.673  -4.802  -2.454
  147    HD2  TYR  23           HD2      TYR  23   5.101  -2.291  -2.649
  148    HE1  TYR  23           HE1      TYR  23   2.719  -6.099  -0.645
  149    HE2  TYR  23           HE2      TYR  23   6.157  -3.581  -0.843
  150    HH   TYR  23           HH       TYR  23   5.530  -6.410   0.007
  151    H    CYS  24           HN       CYS  24  -0.365  -1.860  -4.021
  152    HA   CYS  24           HA       CYS  24  -1.316  -2.108  -1.244
  153   1HB   CYS  24          HB2       CYS  24  -3.269  -1.603  -3.429
  154   2HB   CYS  24          HB1       CYS  24  -3.266  -1.031  -1.764
  155    H    SER  25           HN       SER  25  -2.313  -3.932  -0.624
  156    HA   SER  25           HA       SER  25  -3.276  -5.820  -2.629
  157   1HB   SER  25          HB2       SER  25  -0.844  -6.177  -1.053
  158   2HB   SER  25          HB1       SER  25  -1.991  -7.499  -0.837
  159    HG   SER  25           HG       SER  25  -0.962  -6.526  -3.297
  160    HA   PRO  26           HA       PRO  26  -6.364  -6.321   0.513
  161   1HB   PRO  26          HB2       PRO  26  -7.793  -8.304  -0.562
  162   2HB   PRO  26          HB1       PRO  26  -7.716  -6.713  -1.330
  163   1HG   PRO  26          HG2       PRO  26  -6.246  -9.223  -2.023
  164   2HG   PRO  26          HG1       PRO  26  -7.002  -8.036  -3.100
  165   1HD   PRO  26          HD2       PRO  26  -4.304  -8.124  -2.508
  166   2HD   PRO  26          HD1       PRO  26  -5.164  -6.680  -3.078
  167    H    PHE  27           HN       PHE  27  -4.956  -7.044   2.215
  168    HA   PHE  27           HA       PHE  27  -4.819  -9.968   2.523
  169   1HB   PHE  27          HB2       PHE  27  -3.048  -7.738   3.433
  170   2HB   PHE  27          HB1       PHE  27  -3.120  -9.208   4.398
  171    HD1  PHE  27           HD1      PHE  27  -2.910  -8.362   0.762
  172    HD2  PHE  27           HD2      PHE  27  -1.418 -10.677   4.006
  173    HE1  PHE  27           HE1      PHE  27  -1.288  -9.428  -0.750
  174    HE2  PHE  27           HE2      PHE  27   0.209 -11.746   2.501
  175    HZ   PHE  27           HZ       PHE  27   0.276 -11.121   0.120
  176    H    SER  28           HN       SER  28  -7.182  -8.397   3.089
  177    HA   SER  28           HA       SER  28  -7.307  -8.420   6.015
  178   1HB   SER  28          HB2       SER  28  -8.148  -6.445   4.623
  179   2HB   SER  28          HB1       SER  28  -9.487  -7.490   4.148
  180    HG   SER  28           HG       SER  28  -8.857  -6.438   6.677
  Start of MODEL    8
    1   1H    HIS   1          HT1       HIS   1   2.149   5.473   2.493
    2   2H    HIS   1          HT2       HIS   1   1.465   6.864   3.171
    3   3H    HIS   1          HT3       HIS   1   3.091   6.863   2.704
    4    HA   HIS   1           HA       HIS   1   2.198   7.950   0.940
    5   1HB   HIS   1          HB2       HIS   1   3.257   6.337  -0.276
    6   2HB   HIS   1          HB1       HIS   1   2.423   5.024   0.545
    7    HD1  HIS   1           HD1      HIS   1  -0.087   4.561  -0.321
    8    HD2  HIS   1           HD2      HIS   1   2.298   6.929  -2.764
    9    HE1  HIS   1           HE1      HIS   1  -1.228   4.576  -2.559
   10    HE2  HIS   1           HE2      HIS   1   0.183   6.091  -3.997
   11    H    CYS   2           HN       CYS   2  -0.018   5.342   1.892
   12    HA   CYS   2           HA       CYS   2  -2.223   6.004   0.378
   13   1HB   CYS   2          HB2       CYS   2  -1.934   4.763   3.094
   14   2HB   CYS   2          HB1       CYS   2  -3.534   5.098   2.439
   15    H    ASP   3           HN       ASP   3  -2.907   8.024   0.115
   16    HA   ASP   3           HA       ASP   3  -2.781  10.099   1.973
   17   1HB   ASP   3          HB2       ASP   3  -3.638   9.776  -0.679
   18   2HB   ASP   3          HB1       ASP   3  -5.035  10.411   0.186
   19    H    ALA   4           HN       ALA   4  -4.734  11.294   2.823
   20    HA   ALA   4           HA       ALA   4  -6.079   9.725   4.702
   21   1HB   ALA   4          HB1       ALA   4  -5.759  12.431   4.225
   22   2HB   ALA   4          HB2       ALA   4  -6.658  11.700   5.553
   23   3HB   ALA   4          HB3       ALA   4  -7.497  12.174   4.076
   24    H    ALA   5           HN       ALA   5  -6.868  10.512   1.420
   25    HA   ALA   5           HA       ALA   5  -9.406   9.044   1.713
   26   1HB   ALA   5          HB1       ALA   5  -9.442  11.632   1.235
   27   2HB   ALA   5          HB2       ALA   5 -10.573  10.541   0.434
   28   3HB   ALA   5          HB3       ALA   5  -9.135  11.103  -0.419
   29    H    THR   6           HN       THR   6  -7.245   7.581   1.180
   30    HA   THR   6           HA       THR   6  -7.603   6.883  -1.648
   31    HB   THR   6           HB       THR   6  -4.924   7.072  -0.256
   32    HG1  THR   6           HG1      THR   6  -5.908   9.052  -1.115
   33   1HG2  THR   6          HG21      THR   6  -4.514   6.638  -2.968
   34   2HG2  THR   6          HG22      THR   6  -5.805   5.515  -2.542
   35   3HG2  THR   6          HG23      THR   6  -4.272   5.468  -1.672
   36    H    ILE   7           HN       ILE   7  -5.431   5.608   0.853
   37    HA   ILE   7           HA       ILE   7  -5.160   3.511   1.702
   38    HB   ILE   7           HB       ILE   7  -8.124   3.100   1.474
   39   1HG1  ILE   7          HG12      ILE   7  -7.801   5.416   2.246
   40   2HG1  ILE   7          HG11      ILE   7  -8.447   4.397   3.528
   41   1HG2  ILE   7          HG21      ILE   7  -6.051   2.332   3.522
   42   2HG2  ILE   7          HG22      ILE   7  -6.873   1.264   2.384
   43   3HG2  ILE   7          HG23      ILE   7  -7.782   2.031   3.687
   44   1HD1  ILE   7          HD11      ILE   7  -6.122   4.189   4.414
   45   2HD1  ILE   7          HD12      ILE   7  -6.797   5.817   4.476
   46   3HD1  ILE   7          HD13      ILE   7  -5.628   5.394   3.225
   47    H    CYS   8           HN       CYS   8  -4.385   3.309  -0.732
   48    HA   CYS   8           HA       CYS   8  -4.061   1.945  -2.520
   49   1HB   CYS   8          HB2       CYS   8  -5.340   0.210  -0.479
   50   2HB   CYS   8          HB1       CYS   8  -5.195  -0.434  -2.111
   51    HA   PRO   9           HA       PRO   9  -7.297   2.212  -5.498
   52   1HB   PRO   9          HB2       PRO   9  -7.553  -0.463  -6.347
   53   2HB   PRO   9          HB1       PRO   9  -6.528   0.779  -7.069
   54   1HG   PRO   9          HG2       PRO   9  -5.826  -1.379  -5.149
   55   2HG   PRO   9          HG1       PRO   9  -4.849  -0.656  -6.439
   56   1HD   PRO   9          HD2       PRO   9  -4.412  -0.075  -3.859
   57   2HD   PRO   9          HD1       PRO   9  -4.236   1.159  -5.125
   58    H    ASP  10           HN       ASP  10  -7.900  -1.106  -4.369
   59    HA   ASP  10           HA       ASP  10 -10.205  -0.321  -2.835
   60   1HB   ASP  10          HB2       ASP  10 -10.478  -1.355  -5.598
   61   2HB   ASP  10          HB1       ASP  10 -11.544  -2.071  -4.393
   62    H    GLY  11           HN       GLY  11 -10.299  -1.645  -1.150
   63   1HA   GLY  11          HA2       GLY  11 -10.016  -3.492   0.185
   64   2HA   GLY  11          HA1       GLY  11 -10.289  -4.442  -1.269
   65    H    THR  12           HN       THR  12  -7.676  -2.217  -0.352
   66    HA   THR  12           HA       THR  12  -5.785  -4.441  -0.306
   67    HB   THR  12           HB       THR  12  -4.321  -2.608  -1.709
   68    HG1  THR  12           HG1      THR  12  -6.285  -2.554  -3.493
   69   1HG2  THR  12          HG21      THR  12  -5.200  -4.145  -3.732
   70   2HG2  THR  12          HG22      THR  12  -5.763  -5.105  -2.365
   71   3HG2  THR  12          HG23      THR  12  -4.052  -4.710  -2.519
   72    H    THR  13           HN       THR  13  -3.743  -3.901   0.665
   73    HA   THR  13           HA       THR  13  -3.890  -1.509   2.382
   74    HB   THR  13           HB       THR  13  -4.017  -3.575   3.688
   75    HG1  THR  13           HG1      THR  13  -2.770  -2.658   5.132
   76   1HG2  THR  13          HG21      THR  13  -1.271  -4.244   2.632
   77   2HG2  THR  13          HG22      THR  13  -2.756  -4.978   2.028
   78   3HG2  THR  13          HG23      THR  13  -2.277  -5.214   3.709
   79    H    CYS  14           HN       CYS  14  -1.873  -0.443   2.886
   80    HA   CYS  14           HA       CYS  14   0.135  -0.811   0.760
   81   1HB   CYS  14          HB2       CYS  14   0.667   1.671   1.428
   82   2HB   CYS  14          HB1       CYS  14  -0.680   1.311   0.354
   83    H    SER  15           HN       SER  15   2.151  -1.289   1.318
   84    HA   SER  15           HA       SER  15   3.022  -0.787   4.082
   85   1HB   SER  15          HB2       SER  15   4.104  -3.204   2.746
   86   2HB   SER  15          HB1       SER  15   3.680  -2.943   4.438
   87    HG   SER  15           HG       SER  15   2.292  -4.261   2.686
   88    H    LEU  16           HN       LEU  16   5.074  -0.038   4.319
   89    HA   LEU  16           HA       LEU  16   6.420   0.842   1.916
   90   1HB   LEU  16          HB2       LEU  16   6.298   2.447   3.650
   91   2HB   LEU  16          HB1       LEU  16   6.874   1.310   4.852
   92    HG   LEU  16           HG       LEU  16   9.104   1.339   3.792
   93   1HD1  LEU  16          HD11      LEU  16   8.327   1.910   1.513
   94   2HD1  LEU  16          HD12      LEU  16   9.641   2.941   2.078
   95   3HD1  LEU  16          HD13      LEU  16   7.985   3.547   2.073
   96   1HD2  LEU  16          HD21      LEU  16   8.833   2.792   5.632
   97   2HD2  LEU  16          HD22      LEU  16   7.899   3.947   4.681
   98   3HD2  LEU  16          HD23      LEU  16   9.625   3.745   4.378
   99    H    SER  17           HN       SER  17   8.052  -0.156   0.959
  100    HA   SER  17           HA       SER  17   9.157  -2.567   2.101
  101   1HB   SER  17          HB2       SER  17   8.653  -1.718  -0.477
  102   2HB   SER  17          HB1       SER  17  10.406  -1.574  -0.358
  103    HG   SER  17           HG       SER  17   8.973  -3.898   0.397
  104    HA   PRO  18           HA       PRO  18  12.946  -1.259   3.939
  105   1HB   PRO  18          HB2       PRO  18  14.321  -2.853   1.811
  106   2HB   PRO  18          HB1       PRO  18  14.590  -2.846   3.558
  107   1HG   PRO  18          HG2       PRO  18  13.224  -4.817   2.412
  108   2HG   PRO  18          HG1       PRO  18  12.728  -4.164   3.984
  109   1HD   PRO  18          HD2       PRO  18  11.497  -3.790   1.304
  110   2HD   PRO  18          HD1       PRO  18  10.735  -3.808   2.907
  111    H    TYR  19           HN       TYR  19  12.860  -1.225   0.397
  112    HA   TYR  19           HA       TYR  19  14.931   0.739   0.148
  113   1HB   TYR  19          HB2       TYR  19  13.006  -0.571  -1.739
  114   2HB   TYR  19          HB1       TYR  19  13.880   0.867  -2.256
  115    HD1  TYR  19           HD1      TYR  19  14.668  -2.342  -0.491
  116    HD2  TYR  19           HD2      TYR  19  15.789   0.478  -3.473
  117    HE1  TYR  19           HE1      TYR  19  16.610  -3.734  -1.068
  118    HE2  TYR  19           HE2      TYR  19  17.734  -0.907  -4.059
  119    HH   TYR  19           HH       TYR  19  19.185  -2.690  -2.754
  120    H    GLY  20           HN       GLY  20  11.705   1.080  -1.266
  121   1HA   GLY  20          HA2       GLY  20  10.749   3.174   0.304
  122   2HA   GLY  20          HA1       GLY  20  11.704   3.895  -0.983
  123    H    VAL  21           HN       VAL  21   9.749   0.968  -1.240
  124    HA   VAL  21           HA       VAL  21   8.021   2.399  -3.154
  125    HB   VAL  21           HB       VAL  21   8.712  -0.543  -3.154
  126   1HG1  VAL  21          HG11      VAL  21   6.758   1.095  -4.640
  127   2HG1  VAL  21          HG12      VAL  21   6.722  -0.621  -4.227
  128   3HG1  VAL  21          HG13      VAL  21   7.689  -0.061  -5.594
  129   1HG2  VAL  21          HG21      VAL  21  10.658   0.421  -3.923
  130   2HG2  VAL  21          HG22      VAL  21   9.820   1.799  -4.636
  131   3HG2  VAL  21          HG23      VAL  21   9.755   0.222  -5.424
  132    H    TRP  22           HN       TRP  22   5.815   1.977  -3.152
  133    HA   TRP  22           HA       TRP  22   4.812   0.608  -0.744
  134   1HB   TRP  22          HB2       TRP  22   3.671   2.966  -2.256
  135   2HB   TRP  22          HB1       TRP  22   2.809   2.109  -0.983
  136    HD1  TRP  22           HD1      TRP  22   5.765   4.487  -1.519
  137    HE1  TRP  22           HE1      TRP  22   6.380   5.549   0.743
  138    HE3  TRP  22           HE3      TRP  22   2.718   1.734   1.526
  139    HZ2  TRP  22           HZ2      TRP  22   5.666   5.259   3.460
  140    HZ3  TRP  22           HZ3      TRP  22   2.744   2.188   3.944
  141    HH2  TRP  22           HH2      TRP  22   4.188   3.914   4.890
  142    H    TYR  23           HN       TYR  23   3.680  -1.187  -1.111
  143    HA   TYR  23           HA       TYR  23   2.491  -1.561  -3.781
  144   1HB   TYR  23          HB2       TYR  23   3.291  -3.767  -1.881
  145   2HB   TYR  23          HB1       TYR  23   2.848  -3.913  -3.575
  146    HD1  TYR  23           HD1      TYR  23   5.496  -2.799  -1.260
  147    HD2  TYR  23           HD2      TYR  23   4.444  -3.594  -5.305
  148    HE1  TYR  23           HE1      TYR  23   7.871  -2.691  -1.893
  149    HE2  TYR  23           HE2      TYR  23   6.814  -3.486  -5.950
  150    HH   TYR  23           HH       TYR  23   8.959  -3.564  -5.098
  151    H    CYS  24           HN       CYS  24   0.491  -2.739  -3.905
  152    HA   CYS  24           HA       CYS  24  -1.132  -2.495  -1.456
  153   1HB   CYS  24          HB2       CYS  24  -1.824  -2.056  -4.352
  154   2HB   CYS  24          HB1       CYS  24  -3.074  -2.408  -3.165
  155    H    SER  25           HN       SER  25  -1.631  -4.393  -0.585
  156    HA   SER  25           HA       SER  25  -1.945  -6.723  -2.364
  157   1HB   SER  25          HB2       SER  25  -1.536  -7.801   0.123
  158   2HB   SER  25          HB1       SER  25  -0.278  -7.565  -1.090
  159    HG   SER  25           HG       SER  25   0.107  -6.668   1.087
  160    HA   PRO  26           HA       PRO  26  -6.130  -6.654  -0.779
  161   1HB   PRO  26          HB2       PRO  26  -7.144  -8.561  -2.366
  162   2HB   PRO  26          HB1       PRO  26  -6.710  -6.969  -2.998
  163   1HG   PRO  26          HG2       PRO  26  -5.219  -9.552  -3.179
  164   2HG   PRO  26          HG1       PRO  26  -5.431  -8.291  -4.406
  165   1HD   PRO  26          HD2       PRO  26  -3.181  -8.590  -2.830
  166   2HD   PRO  26          HD1       PRO  26  -3.663  -7.080  -3.625
  167    H    PHE  27           HN       PHE  27  -5.634  -7.451   1.321
  168    HA   PHE  27           HA       PHE  27  -6.006 -10.360   1.605
  169   1HB   PHE  27          HB2       PHE  27  -4.031  -8.534   2.874
  170   2HB   PHE  27          HB1       PHE  27  -4.720  -9.798   3.888
  171    HD1  PHE  27           HD1      PHE  27  -3.548 -11.757   4.017
  172    HD2  PHE  27           HD2      PHE  27  -3.301  -9.447   0.452
  173    HE1  PHE  27           HE1      PHE  27  -1.950 -13.378   3.083
  174    HE2  PHE  27           HE2      PHE  27  -1.703 -11.063  -0.490
  175    HZ   PHE  27           HZ       PHE  27  -1.025 -13.032   0.826
  176    H    SER  28           HN       SER  28  -6.809 -10.937   3.859
  177    HA   SER  28           HA       SER  28  -8.474  -8.883   5.083
  178   1HB   SER  28          HB2       SER  28  -9.822 -11.476   4.440
  179   2HB   SER  28          HB1       SER  28 -10.527  -9.881   4.702
  180    HG   SER  28           HG       SER  28  -9.507 -11.017   2.393
  Start of MODEL    9
    1   1H    HIS   1          HT1       HIS   1   6.652  -3.496   0.106
    2   2H    HIS   1          HT2       HIS   1   7.787  -4.587   0.722
    3   3H    HIS   1          HT3       HIS   1   7.913  -2.940   1.086
    4    HA   HIS   1           HA       HIS   1   6.602  -4.904   2.534
    5   1HB   HIS   1          HB2       HIS   1   7.673  -3.171   3.685
    6   2HB   HIS   1          HB1       HIS   1   6.956  -1.923   2.671
    7    HD1  HIS   1           HD1      HIS   1   4.226  -1.685   3.056
    8    HD2  HIS   1           HD2      HIS   1   6.462  -3.426   6.095
    9    HE1  HIS   1           HE1      HIS   1   2.773  -1.570   5.104
   10    HE2  HIS   1           HE2      HIS   1   4.194  -2.527   6.957
   11    H    CYS   2           HN       CYS   2   4.471  -5.176   3.186
   12    HA   CYS   2           HA       CYS   2   2.372  -3.578   2.023
   13   1HB   CYS   2          HB2       CYS   2   3.173  -5.722   0.545
   14   2HB   CYS   2          HB1       CYS   2   1.854  -6.404   1.493
   15    H    ASP   3           HN       ASP   3   0.321  -5.544   2.436
   16    HA   ASP   3           HA       ASP   3   0.170  -5.410   5.338
   17   1HB   ASP   3          HB2       ASP   3  -2.045  -5.200   5.029
   18   2HB   ASP   3          HB1       ASP   3  -1.693  -5.062   3.310
   19    H    ALA   4           HN       ALA   4   1.054  -7.611   2.949
   20    HA   ALA   4           HA       ALA   4   1.325  -9.733   4.883
   21   1HB   ALA   4          HB1       ALA   4  -0.303 -10.315   2.419
   22   2HB   ALA   4          HB2       ALA   4  -1.017  -9.959   3.991
   23   3HB   ALA   4          HB3       ALA   4   0.010 -11.378   3.790
   24    H    ALA   5           HN       ALA   5   1.306  -9.218   1.344
   25    HA   ALA   5           HA       ALA   5   4.133  -9.624   1.155
   26   1HB   ALA   5          HB1       ALA   5   2.780 -11.689  -0.443
   27   2HB   ALA   5          HB2       ALA   5   2.782 -11.960   1.300
   28   3HB   ALA   5          HB3       ALA   5   4.306 -11.750   0.438
   29    H    THR   6           HN       THR   6   4.669  -8.157  -0.313
   30    HA   THR   6           HA       THR   6   3.568  -8.226  -2.957
   31    HB   THR   6           HB       THR   6   2.833  -5.961  -1.115
   32    HG1  THR   6           HG1      THR   6   1.543  -7.864  -2.664
   33   1HG2  THR   6          HG21      THR   6   3.769  -5.693  -3.831
   34   2HG2  THR   6          HG22      THR   6   3.289  -4.445  -2.680
   35   3HG2  THR   6          HG23      THR   6   2.075  -5.215  -3.701
   36    H    ILE   7           HN       ILE   7   5.518  -6.487  -0.578
   37    HA   ILE   7           HA       ILE   7   7.516  -5.404  -0.721
   38    HB   ILE   7           HB       ILE   7   8.136  -6.962  -3.212
   39   1HG1  ILE   7          HG12      ILE   7   8.770  -8.243  -0.629
   40   2HG1  ILE   7          HG11      ILE   7   7.061  -8.220  -1.049
   41   1HG2  ILE   7          HG21      ILE   7  10.112  -6.828  -1.084
   42   2HG2  ILE   7          HG22      ILE   7   9.598  -5.236  -1.642
   43   3HG2  ILE   7          HG23      ILE   7  10.254  -6.403  -2.790
   44   1HD1  ILE   7          HD11      ILE   7   8.993  -9.107  -3.116
   45   2HD1  ILE   7          HD12      ILE   7   7.336  -9.629  -2.812
   46   3HD1  ILE   7          HD13      ILE   7   8.644 -10.192  -1.771
   47    H    CYS   8           HN       CYS   8   5.840  -3.687  -1.486
   48    HA   CYS   8           HA       CYS   8   5.682  -2.851  -4.135
   49   1HB   CYS   8          HB2       CYS   8   5.076  -1.739  -1.507
   50   2HB   CYS   8          HB1       CYS   8   5.552  -0.506  -2.670
   51    HA   PRO   9           HA       PRO   9   9.525  -0.977  -5.176
   52   1HB   PRO   9          HB2       PRO   9   8.196   1.424  -6.221
   53   2HB   PRO   9          HB1       PRO   9   9.097   0.177  -7.086
   54   1HG   PRO   9          HG2       PRO   9   6.428   0.413  -7.312
   55   2HG   PRO   9          HG1       PRO   9   7.238  -1.164  -7.359
   56   1HD   PRO   9          HD2       PRO   9   5.777   0.150  -5.095
   57   2HD   PRO   9          HD1       PRO   9   5.730  -1.543  -5.632
   58    H    ASP  10           HN       ASP  10  11.056   0.261  -4.253
   59    HA   ASP  10           HA       ASP  10  12.054   1.645  -2.749
   60   1HB   ASP  10          HB2       ASP  10   9.834   3.625  -3.146
   61   2HB   ASP  10          HB1       ASP  10  11.559   3.916  -2.949
   62    H    GLY  11           HN       GLY  11  11.002   3.549  -0.966
   63   1HA   GLY  11          HA2       GLY  11   9.989   1.770   1.076
   64   2HA   GLY  11          HA1       GLY  11  10.445   3.454   1.288
   65    H    THR  12           HN       THR  12   7.974   1.560  -0.457
   66    HA   THR  12           HA       THR  12   5.997   3.580   0.377
   67    HB   THR  12           HB       THR  12   4.660   2.980  -1.573
   68    HG1  THR  12           HG1      THR  12   5.064   1.198  -2.633
   69   1HG2  THR  12          HG21      THR  12   7.321   4.125  -1.717
   70   2HG2  THR  12          HG22      THR  12   5.826   4.652  -2.490
   71   3HG2  THR  12          HG23      THR  12   6.827   3.417  -3.255
   72    H    THR  13           HN       THR  13   3.869   2.834   0.889
   73    HA   THR  13           HA       THR  13   3.790   0.027   1.786
   74    HB   THR  13           HB       THR  13   3.080   2.549   3.208
   75    HG1  THR  13           HG1      THR  13   4.697   1.686   4.266
   76   1HG2  THR  13          HG21      THR  13   1.451   0.054   3.308
   77   2HG2  THR  13          HG22      THR  13   0.944   1.737   3.450
   78   3HG2  THR  13          HG23      THR  13   1.742   0.938   4.806
   79    H    CYS  14           HN       CYS  14   1.713  -1.006   1.760
   80    HA   CYS  14           HA       CYS  14  -0.172   0.257  -0.117
   81   1HB   CYS  14          HB2       CYS  14  -0.700  -2.510  -0.021
   82   2HB   CYS  14          HB1       CYS  14   0.001  -1.597  -1.351
   83    H    SER  15           HN       SER  15  -2.069   0.803   0.679
   84    HA   SER  15           HA       SER  15  -3.098  -0.652   3.026
   85   1HB   SER  15          HB2       SER  15  -3.503   2.285   2.410
   86   2HB   SER  15          HB1       SER  15  -4.080   1.424   3.836
   87    HG   SER  15           HG       SER  15  -1.347   1.348   3.258
   88    H    LEU  16           HN       LEU  16  -5.340  -0.990   3.132
   89    HA   LEU  16           HA       LEU  16  -6.645  -0.939   0.515
   90   1HB   LEU  16          HB2       LEU  16  -6.569  -3.087   1.641
   91   2HB   LEU  16          HB1       LEU  16  -7.338  -2.403   3.061
   92    HG   LEU  16           HG       LEU  16  -9.384  -1.992   1.727
   93   1HD1  LEU  16          HD11      LEU  16  -9.283  -3.556  -0.452
   94   2HD1  LEU  16          HD12      LEU  16  -7.624  -2.958  -0.433
   95   3HD1  LEU  16          HD13      LEU  16  -8.971  -1.821  -0.484
   96   1HD2  LEU  16          HD21      LEU  16  -9.662  -3.925   2.896
   97   2HD2  LEU  16          HD22      LEU  16  -8.242  -4.691   2.185
   98   3HD2  LEU  16          HD23      LEU  16  -9.739  -4.578   1.259
   99    H    SER  17           HN       SER  17  -7.879   0.757   0.090
  100    HA   SER  17           HA       SER  17  -8.872   2.549   2.031
  101   1HB   SER  17          HB2       SER  17  -8.897   3.721   0.102
  102   2HB   SER  17          HB1       SER  17  -8.974   2.257  -0.878
  103    HG   SER  17           HG       SER  17 -10.881   3.941  -0.579
  104    HA   PRO  18           HA       PRO  18 -12.638   0.811   3.511
  105   1HB   PRO  18          HB2       PRO  18 -14.431   2.885   3.070
  106   2HB   PRO  18          HB1       PRO  18 -13.373   2.732   4.475
  107   1HG   PRO  18          HG2       PRO  18 -13.011   4.356   1.996
  108   2HG   PRO  18          HG1       PRO  18 -12.611   4.764   3.675
  109   1HD   PRO  18          HD2       PRO  18 -10.717   4.028   1.931
  110   2HD   PRO  18          HD1       PRO  18 -10.644   3.532   3.636
  111    H    TYR  19           HN       TYR  19 -12.333   1.858   0.278
  112    HA   TYR  19           HA       TYR  19 -14.925   0.845  -0.558
  113   1HB   TYR  19          HB2       TYR  19 -12.639   2.189  -1.978
  114   2HB   TYR  19          HB1       TYR  19 -13.935   1.412  -2.881
  115    HD1  TYR  19           HD1      TYR  19 -16.275   2.256  -2.640
  116    HD2  TYR  19           HD2      TYR  19 -12.952   4.311  -0.957
  117    HE1  TYR  19           HE1      TYR  19 -17.646   4.285  -2.426
  118    HE2  TYR  19           HE2      TYR  19 -14.314   6.346  -0.737
  119    HH   TYR  19           HH       TYR  19 -16.670   7.151  -2.199
  120    H    GLY  20           HN       GLY  20 -11.612   0.230  -1.746
  121   1HA   GLY  20          HA2       GLY  20 -11.242  -2.383  -1.279
  122   2HA   GLY  20          HA1       GLY  20 -12.412  -2.431  -2.589
  123    H    VAL  21           HN       VAL  21  -9.568  -0.375  -1.961
  124    HA   VAL  21           HA       VAL  21  -8.351  -1.410  -4.420
  125    HB   VAL  21           HB       VAL  21  -9.564   0.720  -4.910
  126   1HG1  VAL  21          HG11      VAL  21  -8.193   2.792  -4.109
  127   2HG1  VAL  21          HG12      VAL  21  -7.721   1.720  -2.790
  128   3HG1  VAL  21          HG13      VAL  21  -9.425   2.083  -3.065
  129   1HG2  VAL  21          HG21      VAL  21  -7.458  -0.136  -6.089
  130   2HG2  VAL  21          HG22      VAL  21  -6.607   1.132  -5.206
  131   3HG2  VAL  21          HG23      VAL  21  -7.900   1.554  -6.328
  132    H    TRP  22           HN       TRP  22  -6.077  -1.215  -4.533
  133    HA   TRP  22           HA       TRP  22  -4.779  -0.619  -1.952
  134   1HB   TRP  22          HB2       TRP  22  -4.068  -2.710  -4.021
  135   2HB   TRP  22          HB1       TRP  22  -3.050  -2.303  -2.644
  136    HD1  TRP  22           HD1      TRP  22  -6.311  -4.087  -3.536
  137    HE1  TRP  22           HE1      TRP  22  -7.040  -5.524  -1.529
  138    HE3  TRP  22           HE3      TRP  22  -2.891  -2.472  -0.095
  139    HZ2  TRP  22           HZ2      TRP  22  -6.268  -5.921   1.158
  140    HZ3  TRP  22           HZ3      TRP  22  -2.955  -3.430   2.171
  141    HH2  TRP  22           HH2      TRP  22  -4.609  -5.118   2.783
  142    H    TYR  23           HN       TYR  23  -3.159   0.840  -1.955
  143    HA   TYR  23           HA       TYR  23  -1.882   1.535  -4.502
  144   1HB   TYR  23          HB2       TYR  23  -2.032   3.987  -3.689
  145   2HB   TYR  23          HB1       TYR  23  -3.459   3.257  -4.417
  146    HD1  TYR  23           HD1      TYR  23  -1.914   4.261  -1.214
  147    HD2  TYR  23           HD2      TYR  23  -5.463   2.964  -3.167
  148    HE1  TYR  23           HE1      TYR  23  -3.217   4.821   0.795
  149    HE2  TYR  23           HE2      TYR  23  -6.776   3.521  -1.164
  150    HH   TYR  23           HH       TYR  23  -5.212   4.672   1.798
  151    H    CYS  24           HN       CYS  24   0.189   2.484  -4.322
  152    HA   CYS  24           HA       CYS  24   1.403   2.322  -1.644
  153   1HB   CYS  24          HB2       CYS  24   2.249   1.053  -4.193
  154   2HB   CYS  24          HB1       CYS  24   3.524   1.719  -3.178
  155    H    SER  25           HN       SER  25   2.399   4.110  -1.009
  156    HA   SER  25           HA       SER  25   3.488   5.955  -3.009
  157   1HB   SER  25          HB2       SER  25   1.383   6.562  -0.954
  158   2HB   SER  25          HB1       SER  25   2.497   7.827  -1.478
  159    HG   SER  25           HG       SER  25   1.595   6.584  -3.641
  160    HA   PRO  26           HA       PRO  26   6.712   6.263   0.020
  161   1HB   PRO  26          HB2       PRO  26   8.092   8.341  -0.940
  162   2HB   PRO  26          HB1       PRO  26   7.974   6.824  -1.839
  163   1HG   PRO  26          HG2       PRO  26   6.552   9.406  -2.280
  164   2HG   PRO  26          HG1       PRO  26   7.149   8.235  -3.466
  165   1HD   PRO  26          HD2       PRO  26   4.508   8.467  -2.568
  166   2HD   PRO  26          HD1       PRO  26   5.192   7.084  -3.441
  167    H    PHE  27           HN       PHE  27   5.639   6.819   1.945
  168    HA   PHE  27           HA       PHE  27   5.716   9.687   2.584
  169   1HB   PHE  27          HB2       PHE  27   3.682   9.419   3.961
  170   2HB   PHE  27          HB1       PHE  27   3.378   9.095   2.259
  171    HD1  PHE  27           HD1      PHE  27   3.114   7.854   5.589
  172    HD2  PHE  27           HD2      PHE  27   3.321   6.658   1.511
  173    HE1  PHE  27           HE1      PHE  27   2.133   5.676   6.181
  174    HE2  PHE  27           HE2      PHE  27   2.341   4.479   2.095
  175    HZ   PHE  27           HZ       PHE  27   1.746   3.985   4.433
  176    H    SER  28           HN       SER  28   7.764   7.845   3.080
  177    HA   SER  28           HA       SER  28   9.173   7.141   4.717
  178   1HB   SER  28          HB2       SER  28   7.572   8.887   6.595
  179   2HB   SER  28          HB1       SER  28   9.263   8.411   6.746
  180    HG   SER  28           HG       SER  28   9.821   9.905   5.349
  Start of MODEL   10
    1   1H    HIS   1          HT1       HIS   1   0.141   7.284   4.038
    2   2H    HIS   1          HT2       HIS   1   0.419   5.895   3.114
    3   3H    HIS   1          HT3       HIS   1  -1.135   6.226   3.695
    4    HA   HIS   1           HA       HIS   1  -0.366   8.462   2.266
    5   1HB   HIS   1          HB2       HIS   1   1.145   7.648   0.803
    6   2HB   HIS   1          HB1       HIS   1   0.812   5.985   1.269
    7    HD1  HIS   1           HD1      HIS   1  -1.505   5.009   0.104
    8    HD2  HIS   1           HD2      HIS   1   0.382   8.226  -1.730
    9    HE1  HIS   1           HE1      HIS   1  -2.399   5.061  -2.244
   10    HE2  HIS   1           HE2      HIS   1  -1.277   7.044  -3.324
   11    H    CYS   2           HN       CYS   2  -2.062   5.410   2.441
   12    HA   CYS   2           HA       CYS   2  -4.048   5.673   0.574
   13   1HB   CYS   2          HB2       CYS   2  -5.046   4.740   3.178
   14   2HB   CYS   2          HB1       CYS   2  -5.031   3.927   1.618
   15    H    ASP   3           HN       ASP   3  -4.838   7.686   0.204
   16    HA   ASP   3           HA       ASP   3  -5.711   9.463   2.238
   17   1HB   ASP   3          HB2       ASP   3  -4.997  10.297   0.068
   18   2HB   ASP   3          HB1       ASP   3  -6.290   9.410  -0.732
   19    H    ALA   4           HN       ALA   4  -7.943  10.272   2.450
   20    HA   ALA   4           HA       ALA   4  -9.735   8.268   3.168
   21   1HB   ALA   4          HB1       ALA   4  -9.625  10.862   3.698
   22   2HB   ALA   4          HB2       ALA   4 -11.122   9.943   3.848
   23   3HB   ALA   4          HB3       ALA   4 -10.829  10.922   2.411
   24    H    ALA   5           HN       ALA   5  -9.270   9.896   0.118
   25    HA   ALA   5           HA       ALA   5 -11.653   8.603  -0.999
   26   1HB   ALA   5          HB1       ALA   5 -11.469  10.105  -2.848
   27   2HB   ALA   5          HB2       ALA   5  -9.868  10.633  -2.330
   28   3HB   ALA   5          HB3       ALA   5 -11.287  11.048  -1.368
   29    H    THR   6           HN       THR   6  -9.165   7.177  -0.304
   30    HA   THR   6           HA       THR   6  -8.693   5.974  -2.934
   31    HB   THR   6           HB       THR   6  -6.494   6.647  -0.963
   32    HG1  THR   6           HG1      THR   6  -6.891   8.465  -2.116
   33   1HG2  THR   6          HG21      THR   6  -6.120   5.476  -3.706
   34   2HG2  THR   6          HG22      THR   6  -6.331   4.445  -2.291
   35   3HG2  THR   6          HG23      THR   6  -4.968   5.560  -2.373
   36    H    ILE   7           HN       ILE   7  -6.845   5.072  -0.105
   37    HA   ILE   7           HA       ILE   7  -6.748   3.166   1.121
   38    HB   ILE   7           HB       ILE   7  -9.735   2.997   0.735
   39   1HG1  ILE   7          HG12      ILE   7  -8.586   4.285   3.149
   40   2HG1  ILE   7          HG11      ILE   7  -8.518   5.217   1.657
   41   1HG2  ILE   7          HG21      ILE   7  -9.260   2.168   3.247
   42   2HG2  ILE   7          HG22      ILE   7  -7.759   1.664   2.471
   43   3HG2  ILE   7          HG23      ILE   7  -9.307   1.086   1.856
   44   1HD1  ILE   7          HD11      ILE   7 -10.985   4.087   2.954
   45   2HD1  ILE   7          HD12      ILE   7 -10.950   4.939   1.410
   46   3HD1  ILE   7          HD13      ILE   7 -10.501   5.782   2.893
   47    H    CYS   8           HN       CYS   8  -5.715   1.556   0.122
   48    HA   CYS   8           HA       CYS   8  -6.450   0.375  -2.305
   49   1HB   CYS   8          HB2       CYS   8  -4.479  -0.149  -0.186
   50   2HB   CYS   8          HB1       CYS   8  -4.964  -1.579  -1.090
   51    HA   PRO   9           HA       PRO   9  -9.879  -2.097  -0.820
   52   1HB   PRO   9          HB2       PRO   9  -9.952  -3.192  -3.531
   53   2HB   PRO   9          HB1       PRO   9 -11.152  -2.207  -2.692
   54   1HG   PRO   9          HG2       PRO   9  -9.685  -1.260  -4.755
   55   2HG   PRO   9          HG1       PRO   9 -10.235  -0.230  -3.421
   56   1HD   PRO   9          HD2       PRO   9  -7.537  -1.448  -3.889
   57   2HD   PRO   9          HD1       PRO   9  -7.955   0.178  -3.305
   58    H    ASP  10           HN       ASP  10 -10.574  -4.497  -1.367
   59    HA   ASP  10           HA       ASP  10 -10.151  -6.694  -0.969
   60   1HB   ASP  10          HB2       ASP  10  -7.528  -6.402  -2.403
   61   2HB   ASP  10          HB1       ASP  10  -8.659  -7.752  -2.425
   62    H    GLY  11           HN       GLY  11  -7.860  -8.160  -0.528
   63   1HA   GLY  11          HA2       GLY  11  -7.196  -7.308   2.153
   64   2HA   GLY  11          HA1       GLY  11  -6.704  -8.808   1.380
   65    H    THR  12           HN       THR  12  -6.210  -5.448   0.366
   66    HA   THR  12           HA       THR  12  -3.307  -5.949   0.427
   67    HB   THR  12           HB       THR  12  -3.014  -4.549  -1.455
   68    HG1  THR  12           HG1      THR  12  -4.544  -3.145  -2.181
   69   1HG2  THR  12          HG21      THR  12  -4.248  -6.856  -1.732
   70   2HG2  THR  12          HG22      THR  12  -4.029  -5.781  -3.113
   71   3HG2  THR  12          HG23      THR  12  -5.579  -5.834  -2.274
   72    H    THR  13           HN       THR  13  -1.933  -4.138   0.961
   73    HA   THR  13           HA       THR  13  -3.280  -1.985   2.448
   74    HB   THR  13           HB       THR  13  -2.431  -3.827   3.945
   75    HG1  THR  13           HG1      THR  13  -1.038  -1.943   5.077
   76   1HG2  THR  13          HG21      THR  13  -0.308  -4.511   3.889
   77   2HG2  THR  13          HG22      THR  13   0.288  -2.854   3.998
   78   3HG2  THR  13          HG23      THR  13  -0.110  -3.546   2.426
   79    H    CYS  14           HN       CYS  14  -2.028  -0.048   2.742
   80    HA   CYS  14           HA       CYS  14   0.069   0.248   0.693
   81   1HB   CYS  14          HB2       CYS  14  -0.782   2.807   1.366
   82   2HB   CYS  14          HB1       CYS  14  -1.223   1.906  -0.080
   83    H    SER  15           HN       SER  15   2.024   0.350   1.501
   84    HA   SER  15           HA       SER  15   2.535   2.019   3.849
   85   1HB   SER  15          HB2       SER  15   3.866   0.354   4.946
   86   2HB   SER  15          HB1       SER  15   2.322  -0.403   4.553
   87    HG   SER  15           HG       SER  15   4.776  -1.140   3.807
   88    H    LEU  16           HN       LEU  16   4.728   2.754   4.001
   89    HA   LEU  16           HA       LEU  16   5.928   3.109   1.394
   90   1HB   LEU  16          HB2       LEU  16   5.823   5.060   2.729
   91   2HB   LEU  16          HB1       LEU  16   6.490   4.238   4.125
   92    HG   LEU  16           HG       LEU  16   8.668   4.068   2.941
   93   1HD1  LEU  16          HD11      LEU  16   8.766   4.400   0.753
   94   2HD1  LEU  16          HD12      LEU  16   8.349   6.094   1.009
   95   3HD1  LEU  16          HD13      LEU  16   7.077   4.906   0.724
   96   1HD2  LEU  16          HD21      LEU  16   7.972   5.965   4.489
   97   2HD2  LEU  16          HD22      LEU  16   7.744   6.925   3.027
   98   3HD2  LEU  16          HD23      LEU  16   9.336   6.270   3.412
   99    H    SER  17           HN       SER  17   7.640   2.065   0.615
  100    HA   SER  17           HA       SER  17   8.850  -0.047   2.172
  101   1HB   SER  17          HB2       SER  17   9.109  -0.989   0.153
  102   2HB   SER  17          HB1       SER  17   8.393   0.446  -0.580
  103    HG   SER  17           HG       SER  17  10.287   0.942  -1.315
  104    HA   PRO  18           HA       PRO  18  12.563   1.928   3.487
  105   1HB   PRO  18          HB2       PRO  18  14.525   0.166   2.703
  106   2HB   PRO  18          HB1       PRO  18  13.512  -0.042   4.135
  107   1HG   PRO  18          HG2       PRO  18  13.224  -1.257   1.416
  108   2HG   PRO  18          HG1       PRO  18  13.010  -2.010   3.008
  109   1HD   PRO  18          HD2       PRO  18  10.908  -1.250   1.528
  110   2HD   PRO  18          HD1       PRO  18  10.899  -1.090   3.297
  111    H    TYR  19           HN       TYR  19  11.982   1.352   0.203
  112    HA   TYR  19           HA       TYR  19  14.379   2.786  -0.669
  113   1HB   TYR  19          HB2       TYR  19  12.237   1.326  -2.224
  114   2HB   TYR  19          HB1       TYR  19  13.567   2.205  -2.971
  115    HD1  TYR  19           HD1      TYR  19  12.493  -0.949  -1.963
  116    HD2  TYR  19           HD2      TYR  19  15.964   1.509  -1.993
  117    HE1  TYR  19           HE1      TYR  19  13.907  -2.954  -1.790
  118    HE2  TYR  19           HE2      TYR  19  17.388  -0.488  -1.819
  119    HH   TYR  19           HH       TYR  19  17.439  -2.694  -1.549
  120    H    GLY  20           HN       GLY  20  10.860   3.038  -0.649
  121   1HA   GLY  20          HA2       GLY  20  10.077   5.381  -0.246
  122   2HA   GLY  20          HA1       GLY  20  11.141   5.833  -1.569
  123    H    VAL  21           HN       VAL  21   8.895   3.094  -1.281
  124    HA   VAL  21           HA       VAL  21   7.274   4.262  -3.429
  125    HB   VAL  21           HB       VAL  21   8.906   2.630  -4.385
  126   1HG1  VAL  21          HG11      VAL  21   9.267   0.676  -3.408
  127   2HG1  VAL  21          HG12      VAL  21   7.587   0.216  -3.688
  128   3HG1  VAL  21          HG13      VAL  21   8.037   1.049  -2.200
  129   1HG2  VAL  21          HG21      VAL  21   6.089   2.803  -4.791
  130   2HG2  VAL  21          HG22      VAL  21   6.609   1.144  -5.090
  131   3HG2  VAL  21          HG23      VAL  21   7.359   2.476  -5.970
  132    H    TRP  22           HN       TRP  22   5.106   3.595  -3.490
  133    HA   TRP  22           HA       TRP  22   4.177   2.219  -1.051
  134   1HB   TRP  22          HB2       TRP  22   2.644   4.231  -2.712
  135   2HB   TRP  22          HB1       TRP  22   2.141   3.531  -1.178
  136    HD1  TRP  22           HD1      TRP  22   4.702   6.028  -2.612
  137    HE1  TRP  22           HE1      TRP  22   5.415   7.623  -0.722
  138    HE3  TRP  22           HE3      TRP  22   2.286   3.787   1.297
  139    HZ2  TRP  22           HZ2      TRP  22   5.008   7.895   2.059
  140    HZ3  TRP  22           HZ3      TRP  22   2.499   4.778   3.540
  141    HH2  TRP  22           HH2      TRP  22   3.834   6.789   3.911
  142    H    TYR  23           HN       TYR  23   3.060   0.364  -1.324
  143    HA   TYR  23           HA       TYR  23   1.516  -0.098  -3.727
  144   1HB   TYR  23          HB2       TYR  23   2.691  -2.240  -4.248
  145   2HB   TYR  23          HB1       TYR  23   3.669  -0.805  -4.533
  146    HD1  TYR  23           HD1      TYR  23   5.573  -0.288  -3.086
  147    HD2  TYR  23           HD2      TYR  23   3.262  -3.813  -2.505
  148    HE1  TYR  23           HE1      TYR  23   7.350  -1.211  -1.660
  149    HE2  TYR  23           HE2      TYR  23   5.032  -4.745  -1.076
  150    HH   TYR  23           HH       TYR  23   8.050  -3.785  -1.020
  151    H    CYS  24           HN       CYS  24   0.151  -1.961  -3.610
  152    HA   CYS  24           HA       CYS  24  -0.092  -3.130  -0.921
  153   1HB   CYS  24          HB2       CYS  24  -2.585  -2.676  -2.481
  154   2HB   CYS  24          HB1       CYS  24  -2.330  -2.657  -0.734
  155    H    SER  25           HN       SER  25  -0.017  -5.266  -0.946
  156    HA   SER  25           HA       SER  25  -0.757  -6.672  -3.428
  157   1HB   SER  25          HB2       SER  25   1.697  -6.690  -2.069
  158   2HB   SER  25          HB1       SER  25   0.944  -8.238  -1.687
  159    HG   SER  25           HG       SER  25   1.907  -8.643  -3.572
  160    HA   PRO  26           HA       PRO  26  -3.716  -8.950  -1.074
  161   1HB   PRO  26          HB2       PRO  26  -3.910 -11.239  -2.468
  162   2HB   PRO  26          HB1       PRO  26  -4.459  -9.695  -3.132
  163   1HG   PRO  26          HG2       PRO  26  -1.913 -11.181  -3.646
  164   2HG   PRO  26          HG1       PRO  26  -2.970 -10.340  -4.795
  165   1HD   PRO  26          HD2       PRO  26  -0.663  -9.268  -3.779
  166   2HD   PRO  26          HD1       PRO  26  -2.038  -8.296  -4.338
  167    H    PHE  27           HN       PHE  27  -2.117  -9.088   0.749
  168    HA   PHE  27           HA       PHE  27  -1.146 -11.847   1.102
  169   1HB   PHE  27          HB2       PHE  27  -0.146  -9.288   2.370
  170   2HB   PHE  27          HB1       PHE  27   0.444 -10.898   2.763
  171    HD1  PHE  27           HD1      PHE  27   0.167 -11.720  -0.318
  172    HD2  PHE  27           HD2      PHE  27   2.137  -8.610   1.820
  173    HE1  PHE  27           HE1      PHE  27   1.833 -11.543  -2.118
  174    HE2  PHE  27           HE2      PHE  27   3.806  -8.428   0.022
  175    HZ   PHE  27           HZ       PHE  27   3.655  -9.896  -1.950
  176    H    SER  28           HN       SER  28  -0.889 -12.261   3.625
  177    HA   SER  28           HA       SER  28  -3.287 -11.321   5.027
  178   1HB   SER  28          HB2       SER  28  -3.551 -13.755   5.844
  179   2HB   SER  28          HB1       SER  28  -4.091 -13.378   4.209
  180    HG   SER  28           HG       SER  28  -2.753 -14.852   3.571