*HEADER    TRANSFERASE                             08-SEP-03   1QXN              
*TITLE     SOLUTION STRUCTURE OF THE 30 KDA POLYSULFIDE-SULFUR                   
*TITLE    2 TRANSFERASE HOMODIMER FROM WOLINELLA SUCCINOGENES                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SULFIDE DEHYDROGENASE;                                     
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 SYNONYM: SUD;                                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: WOLINELLA SUCCINOGENES;                         
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: DH5A;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PQE60_SUD-HIS6                            
*KEYWDS    POLYSULFIDE-SULFUR TRANSFERASE, SUD, HOMODIMER                        
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Y.J.LIN, F.DANCEA, F.LOEHR, O.KLIMMEK, S.PFEIFFER-MAREK,              
*AUTHOR   2 M.NILGES, H.WIENK, A.KROEGER, H.RUETERJANS                           
*REVDAT   1   24-FEB-04 1QXN    0                                                

! NOE derived distance restraints
! unambiguous distance restraints obtained after interative NOE assignment
 ASSI {    2}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 110  and name HA  ))
      2.900     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.15822E-02 ppm1      7.790 ppm2      4.555 CV     1
 ASSI {    2}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 110  and name HA  ))
      2.900     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.15822E-02 ppm1      7.790 ppm2      4.555 CV     1
 ASSI {    4}
   (( segid "A   " and resid 61   and name HD22))
   (( segid "A   " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.63347E-03 ppm1      7.238 ppm2      7.736 CV     1
 ASSI {    4}
   (( segid "B   " and resid 61   and name HD22))
   (( segid "B   " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.63347E-03 ppm1      7.238 ppm2      7.736 CV     1
 ASSI {    5}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 128  and name HN  ))
      2.500     0.800     0.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.25103E-02 ppm1      8.331 ppm2      9.034 CV     1
 ASSI {    5}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 128  and name HN  ))
      2.500     0.800     0.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.25103E-02 ppm1      8.331 ppm2      9.034 CV     1
 ASSI {    6}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 61   and name HD21))
      4.300     2.400     1.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.59174E-03 ppm1      8.515 ppm2      6.481 CV     1
 ASSI {    6}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 61   and name HD21))
      4.300     2.400     1.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.59174E-03 ppm1      8.515 ppm2      6.481 CV     1
 ASSI {    7}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 111  and name HA  ))
      3.000     1.100     1.100 peak     7 spectrum    1 weight  0.10000E+01 volume  0.20306E-02 ppm1      7.682 ppm2      5.766 CV     1
 ASSI {    7}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 111  and name HA  ))
      3.000     1.100     1.100 peak     7 spectrum    1 weight  0.10000E+01 volume  0.20306E-02 ppm1      7.682 ppm2      5.766 CV     1
 ASSI {    9}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.17599E-02 ppm1      8.818 ppm2      5.225 CV     1
 ASSI {    9}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.17599E-02 ppm1      8.818 ppm2      5.225 CV     1
 ASSI {   10}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.19198E-02 ppm1      8.818 ppm2      8.926 CV     1
 ASSI {   10}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.19198E-02 ppm1      8.818 ppm2      8.926 CV     1
 ASSI {   11}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 112  and name HD22))
      2.800     1.000     1.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.19157E-02 ppm1      7.584 ppm2      6.416 CV     1
 ASSI {   11}
   (( segid "B   " and resid 96   and name HN  ))
   (( segid "B   " and resid 112  and name HD22))
      2.800     1.000     1.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.19157E-02 ppm1      7.584 ppm2      6.416 CV     1
 ASSI {   14}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.19466E-02 ppm1      8.764 ppm2      5.031 CV     1
 ASSI {   14}
   (( segid "B   " and resid 86   and name HN  ))
   (( segid "B   " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.19466E-02 ppm1      8.764 ppm2      5.031 CV     1
 ASSI {   17}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 112  and name HA  ))
      2.900     1.000     1.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.17100E-02 ppm1      9.142 ppm2      5.399 CV     1
 ASSI {   17}
   (( segid "B   " and resid 87   and name HN  ))
   (( segid "B   " and resid 112  and name HA  ))
      2.900     1.000     1.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.17100E-02 ppm1      9.142 ppm2      5.399 CV     1
 ASSI {   18}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 128  and name HN  ))
      4.300     2.300     1.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.66079E-03 ppm1      8.017 ppm2      9.034 CV     1
 ASSI {   18}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 128  and name HN  ))
      4.300     2.300     1.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.66079E-03 ppm1      8.017 ppm2      9.034 CV     1
 ASSI {   20}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 85   and name HA  ))
      2.900     1.000     1.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.24264E-02 ppm1      7.151 ppm2      5.269 CV     1
 ASSI {   20}
   (( segid "B   " and resid 41   and name HN  ))
   (( segid "B   " and resid 85   and name HA  ))
      2.900     1.000     1.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.24264E-02 ppm1      7.151 ppm2      5.269 CV     1
 ASSI {   22}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 114  and name HN  ))
      3.500     1.500     1.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.98016E-03 ppm1      8.926 ppm2      9.965 CV     1
 ASSI {   22}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 114  and name HN  ))
      3.500     1.500     1.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.98016E-03 ppm1      8.926 ppm2      9.965 CV     1
 ASSI {   26}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 87   and name HA  ))
      2.900     1.000     1.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.14887E-02 ppm1      9.175 ppm2      4.922 CV     1
 ASSI {   26}
   (( segid "B   " and resid 43   and name HN  ))
   (( segid "B   " and resid 87   and name HA  ))
      2.900     1.000     1.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.14887E-02 ppm1      9.175 ppm2      4.922 CV     1
 ASSI {   27}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.98401E-03 ppm1      8.428 ppm2      7.974 CV     1
 ASSI {   27}
   (( segid "B   " and resid 44   and name HN  ))
   (( segid "B   " and resid 65   and name HN  ))
      3.600     1.600     1.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.98401E-03 ppm1      8.428 ppm2      7.974 CV     1
 ASSI {   28}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.19102E-02 ppm1      8.428 ppm2      5.031 CV     1
 ASSI {   28}
   (( segid "B   " and resid 44   and name HN  ))
   (( segid "B   " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.19102E-02 ppm1      8.428 ppm2      5.031 CV     1
 ASSI {   29}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.24168E-02 ppm1      8.482 ppm2      4.403 CV     1
 ASSI {   29}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.24168E-02 ppm1      8.482 ppm2      4.403 CV     1
 ASSI {   30}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 62   and name HA  ))
      5.600     4.000     0.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      8.493 ppm2      4.858 CV     1
 ASSI {   30}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 62   and name HA  ))
      5.600     4.000     0.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      8.493 ppm2      4.858 CV     1
 ASSI {   31}
   (( segid "A   " and resid 120  and name HE1 ))
   (( segid "A   " and resid 58   and name HN  ))
      3.500     1.500     1.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      9.824 ppm2      8.017 CV     1
 ASSI {   31}
   (( segid "B   " and resid 120  and name HE1 ))
   (( segid "B   " and resid 58   and name HN  ))
      3.500     1.500     1.500 peak    31 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      9.824 ppm2      8.017 CV     1
 ASSI {   33}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.83438E-03 ppm1      7.985 ppm2      5.615 CV     1
 ASSI {   33}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.83438E-03 ppm1      7.985 ppm2      5.615 CV     1
 ASSI {   35}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 107  and name HN  ))
      2.800     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.36757E-02 ppm1      7.811 ppm2      8.342 CV     1
 ASSI {   35}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 107  and name HN  ))
      2.800     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.36757E-02 ppm1      7.811 ppm2      8.342 CV     1
 ASSI {   37}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 105  and name HN  ))
      2.400     0.700     0.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.47331E-02 ppm1      7.811 ppm2      8.104 CV     1
 ASSI {   37}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 105  and name HN  ))
      2.400     0.700     0.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.47331E-02 ppm1      7.811 ppm2      8.104 CV     1
 ASSI {   38}
   (( segid "A   " and resid 106  and name HN  ))
   (  segid "A   " and resid 110  and name HD1%)
      4.600     2.700     1.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.58765E-03 ppm1      7.811 ppm2      0.746 CV     1
 ASSI {   38}
   (( segid "B   " and resid 106  and name HN  ))
   (  segid "B   " and resid 110  and name HD1%)
      4.600     2.700     1.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.58765E-03 ppm1      7.811 ppm2      0.746 CV     1
 ASSI {   39}
   (( segid "A   " and resid 106  and name HN  ))
   (  segid "A   " and resid 107  and name HD% )
      2.800     1.000     1.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.24864E-02 ppm1      7.811 ppm2      7.584 CV     1
 ASSI {   39}
   (( segid "B   " and resid 106  and name HN  ))
   (  segid "B   " and resid 107  and name HD% )
      2.800     1.000     1.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.24864E-02 ppm1      7.811 ppm2      7.584 CV     1
 ASSI {   40}
   (( segid "A   " and resid 106  and name HN  ))
   (  segid "A   " and resid 105  and name HD% )
      4.300     2.300     1.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.10787E-02 ppm1      7.811 ppm2      7.433 CV     1
 ASSI {   40}
   (( segid "B   " and resid 106  and name HN  ))
   (  segid "B   " and resid 105  and name HD% )
      4.200     2.300     1.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.10787E-02 ppm1      7.811 ppm2      7.433 CV     1
 ASSI {   41}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 103  and name HA  ))
      3.000     1.100     1.100 peak    41 spectrum    1 weight  0.10000E+01 volume  0.12914E-02 ppm1      7.811 ppm2      4.555 CV     1
 ASSI {   41}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 103  and name HA  ))
      3.000     1.100     1.100 peak    41 spectrum    1 weight  0.10000E+01 volume  0.12914E-02 ppm1      7.811 ppm2      4.555 CV     1
 ASSI {   43}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 104  and name HA  ))
      4.200     2.200     1.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.95162E-03 ppm1      7.811 ppm2      4.143 CV     1
 ASSI {   43}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 104  and name HA  ))
      4.200     2.200     1.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.95162E-03 ppm1      7.811 ppm2      4.143 CV     1
 ASSI {   44}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 106  and name HA1 ))
      2.500     0.800     0.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.54907E-02 ppm1      7.811 ppm2      3.689 CV     1
 ASSI {   44}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 106  and name HA1 ))
      2.500     0.800     0.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.54907E-02 ppm1      7.811 ppm2      3.689 CV     1
 ASSI {   45}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 107  and name HB3 ))
      5.600     4.000     0.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.41000E-03 ppm1      7.811 ppm2      2.953 CV     1
 ASSI {   45}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 107  and name HB3 ))
      5.600     4.000     0.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.41000E-03 ppm1      7.811 ppm2      2.953 CV     1
 ASSI {   47}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 107  and name HA  ))
      3.900     1.900     1.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.74592E-03 ppm1      7.811 ppm2      4.706 CV     1
 ASSI {   47}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 107  and name HA  ))
      3.900     1.900     1.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.74592E-03 ppm1      7.811 ppm2      4.706 CV     1
 ASSI {   48}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 107  and name HB2 ))
      3.800     1.800     1.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.80801E-03 ppm1      7.811 ppm2      2.672 CV     1
 ASSI {   48}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 107  and name HB2 ))
      3.800     1.800     1.800 peak    48 spectrum    1 weight  0.10000E+01 volume  0.80801E-03 ppm1      7.811 ppm2      2.672 CV     1
 ASSI {   49}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 105  and name HB2 ))
      3.400     1.400     1.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.56320E-03 ppm1      7.822 ppm2      3.083 CV     1
 ASSI {   49}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 105  and name HB2 ))
      3.400     1.400     1.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.56320E-03 ppm1      7.822 ppm2      3.083 CV     1
 ASSI {   52}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 67   and name HN  ))
      3.400     1.400     1.400 peak    52 spectrum    1 weight  0.10000E+01 volume  0.46827E-03 ppm1      8.731 ppm2      8.320 CV     1
 ASSI {   52}
   (( segid "B   " and resid 68   and name HN  ))
   (( segid "B   " and resid 67   and name HN  ))
      3.400     1.400     1.400 peak    52 spectrum    1 weight  0.10000E+01 volume  0.46827E-03 ppm1      8.731 ppm2      8.320 CV     1
 ASSI {   53}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.18014E-02 ppm1      8.731 ppm2      7.260 CV     1
 ASSI {   53}
   (( segid "B   " and resid 68   and name HN  ))
   (( segid "B   " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.18014E-02 ppm1      8.731 ppm2      7.260 CV     1
 ASSI {   54}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 68   and name HA2 ))
      2.500     0.800     0.800 peak    54 spectrum    1 weight  0.10000E+01 volume  0.33305E-02 ppm1      8.731 ppm2      4.122 CV     1
 ASSI {   54}
   (( segid "B   " and resid 68   and name HN  ))
   (( segid "B   " and resid 68   and name HA2 ))
      2.500     0.800     0.800 peak    54 spectrum    1 weight  0.10000E+01 volume  0.33305E-02 ppm1      8.731 ppm2      4.122 CV     1
 ASSI {   57}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 68   and name HA1 ))
      3.100     1.200     1.200 peak    57 spectrum    1 weight  0.10000E+01 volume  0.24144E-02 ppm1      8.731 ppm2      3.624 CV     1
 ASSI {   57}
   (( segid "B   " and resid 68   and name HN  ))
   (( segid "B   " and resid 68   and name HA1 ))
      3.100     1.200     1.200 peak    57 spectrum    1 weight  0.10000E+01 volume  0.24144E-02 ppm1      8.731 ppm2      3.624 CV     1
 ASSI {   61}
   (( segid "A   " and resid 116  and name HN  ))
   (( segid "A   " and resid 115  and name HA2 ))
      3.500     1.500     1.500 peak    61 spectrum    1 weight  0.10000E+01 volume  0.53637E-03 ppm1      8.017 ppm2      4.078 CV     1
 ASSI {   61}
   (( segid "B   " and resid 116  and name HN  ))
   (( segid "B   " and resid 115  and name HA2 ))
      3.500     1.500     1.500 peak    61 spectrum    1 weight  0.10000E+01 volume  0.53637E-03 ppm1      8.017 ppm2      4.078 CV     1
 ASSI {   62}
   (( segid "A   " and resid 116  and name HN  ))
   (( segid "A   " and resid 114  and name HA  ))
      4.000     2.000     2.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1      8.017 ppm2      3.862 CV     1
 ASSI {   62}
   (( segid "B   " and resid 116  and name HN  ))
   (( segid "B   " and resid 114  and name HA  ))
      4.000     2.000     2.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.10974E-02 ppm1      8.017 ppm2      3.862 CV     1
 ASSI {   63}
   (( segid "A   " and resid 116  and name HN  ))
   (( segid "A   " and resid 115  and name HA1 ))
      4.300     2.300     1.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.89433E-03 ppm1      8.017 ppm2      3.754 CV     1
 ASSI {   63}
   (( segid "B   " and resid 116  and name HN  ))
   (( segid "B   " and resid 115  and name HA1 ))
      4.300     2.300     1.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.89433E-03 ppm1      8.017 ppm2      3.754 CV     1
 ASSI {   64}
   (( segid "A   " and resid 116  and name HN  ))
   (( segid "A   " and resid 116  and name HA2 ))
      3.000     1.200     1.200 peak    64 spectrum    1 weight  0.10000E+01 volume  0.26974E-02 ppm1      8.017 ppm2      3.429 CV     1
 ASSI {   64}
   (( segid "B   " and resid 116  and name HN  ))
   (( segid "B   " and resid 116  and name HA2 ))
      3.000     1.200     1.200 peak    64 spectrum    1 weight  0.10000E+01 volume  0.26974E-02 ppm1      8.017 ppm2      3.429 CV     1
 ASSI {   65}
   (( segid "A   " and resid 116  and name HN  ))
   (( segid "A   " and resid 116  and name HA1 ))
      2.600     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.31672E-02 ppm1      8.017 ppm2      3.126 CV     1
 ASSI {   65}
   (( segid "B   " and resid 116  and name HN  ))
   (( segid "B   " and resid 116  and name HA1 ))
      2.600     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.31672E-02 ppm1      8.017 ppm2      3.126 CV     1
 ASSI {   66}
   (( segid "A   " and resid 116  and name HN  ))
   (( segid "A   " and resid 115  and name HN  ))
      3.100     1.200     1.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.12103E-02 ppm1      8.017 ppm2      8.536 CV     1
 ASSI {   66}
   (( segid "B   " and resid 116  and name HN  ))
   (( segid "B   " and resid 115  and name HN  ))
      3.100     1.200     1.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.12103E-02 ppm1      8.017 ppm2      8.536 CV     1
 ASSI {   67}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HB3 ))
      3.900     1.900     1.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.11065E-02 ppm1      7.530 ppm2      2.088 CV     1
 ASSI {   67}
   (( segid "B   " and resid 55   and name HN  ))
   (( segid "B   " and resid 54   and name HB3 ))
      3.900     1.900     1.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.11065E-02 ppm1      7.530 ppm2      2.088 CV     1
 ASSI {   68}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 121  and name HG  ))
      4.000     2.000     2.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.92980E-03 ppm1      7.530 ppm2      1.785 CV     1
 ASSI {   68}
   (( segid "B   " and resid 55   and name HN  ))
   (( segid "B   " and resid 121  and name HG  ))
      4.000     2.000     2.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.92980E-03 ppm1      7.530 ppm2      1.785 CV     1
 ASSI {   69}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HN  ))
      2.200     0.600     0.600 peak    69 spectrum    1 weight  0.10000E+01 volume  0.76484E-02 ppm1      7.530 ppm2      8.298 CV     1
 ASSI {   69}
   (( segid "B   " and resid 55   and name HN  ))
   (( segid "B   " and resid 54   and name HN  ))
      2.200     0.600     0.600 peak    69 spectrum    1 weight  0.10000E+01 volume  0.76484E-02 ppm1      7.530 ppm2      8.298 CV     1
 ASSI {   70}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HA2 ))
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.50231E-02 ppm1      7.530 ppm2      4.317 CV     1
 ASSI {   70}
   (( segid "B   " and resid 55   and name HN  ))
   (( segid "B   " and resid 55   and name HA2 ))
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.50231E-02 ppm1      7.530 ppm2      4.317 CV     1
 ASSI {   71}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HA1 ))
      2.200     0.600     0.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.73176E-02 ppm1      7.530 ppm2      3.754 CV     1
 ASSI {   71}
   (( segid "B   " and resid 55   and name HN  ))
   (( segid "B   " and resid 55   and name HA1 ))
      2.200     0.600     0.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.73176E-02 ppm1      7.530 ppm2      3.754 CV     1
 ASSI {   72}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HG2 ))
      5.100     3.300     0.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.49583E-03 ppm1      7.541 ppm2      2.520 CV     1
 ASSI {   72}
   (( segid "B   " and resid 55   and name HN  ))
   (( segid "B   " and resid 54   and name HG2 ))
      5.100     3.300     0.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.49583E-03 ppm1      7.541 ppm2      2.520 CV     1
 ASSI {   74}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HG3 ))
      4.300     2.400     1.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.68286E-03 ppm1      7.541 ppm2      2.802 CV     1
 ASSI {   74}
   (( segid "B   " and resid 55   and name HN  ))
   (( segid "B   " and resid 54   and name HG3 ))
      4.300     2.400     1.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.68286E-03 ppm1      7.541 ppm2      2.802 CV     1
 ASSI {   75}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HB2 ))
      3.300     1.300     1.300 peak    75 spectrum    1 weight  0.10000E+01 volume  0.83557E-03 ppm1      7.530 ppm2      1.958 CV     1
 ASSI {   75}
   (( segid "B   " and resid 55   and name HN  ))
   (( segid "B   " and resid 54   and name HB2 ))
      3.300     1.300     1.300 peak    75 spectrum    1 weight  0.10000E+01 volume  0.83557E-03 ppm1      7.530 ppm2      1.958 CV     1
 ASSI {   76}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HA  ))
      3.300     1.400     1.400 peak    76 spectrum    1 weight  0.10000E+01 volume  0.17778E-02 ppm1      7.530 ppm2      4.684 CV     1
 ASSI {   76}
   (( segid "B   " and resid 55   and name HN  ))
   (( segid "B   " and resid 54   and name HA  ))
      3.300     1.400     1.400 peak    76 spectrum    1 weight  0.10000E+01 volume  0.17778E-02 ppm1      7.530 ppm2      4.684 CV     1
 ASSI {   77}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 100  and name HB3 ))
      3.700     1.800     1.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19001E-02 ppm1      8.850 ppm2      2.174 CV     1
 ASSI {   77}
   (( segid "B   " and resid 99   and name HN  ))
   (( segid "B   " and resid 100  and name HB3 ))
      3.700     1.800     1.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.19001E-02 ppm1      8.850 ppm2      2.174 CV     1
 ASSI {   79}
   (( segid "A   " and resid 99   and name HN  ))
   (  segid "A   " and resid 98   and name HB% )
      3.000     1.100     1.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.26278E-02 ppm1      8.850 ppm2      1.330 CV     1
 ASSI {   79}
   (( segid "B   " and resid 99   and name HN  ))
   (  segid "B   " and resid 98   and name HB% )
      3.000     1.100     1.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.26278E-02 ppm1      8.850 ppm2      1.330 CV     1
 ASSI {   82}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 98   and name HA  ))
      3.600     1.600     1.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.62434E-03 ppm1      8.850 ppm2      4.446 CV     1
 ASSI {   82}
   (( segid "B   " and resid 99   and name HN  ))
   (( segid "B   " and resid 98   and name HA  ))
      3.600     1.600     1.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.62434E-03 ppm1      8.850 ppm2      4.446 CV     1
 ASSI {   84}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 99   and name HA2 ))
      2.300     0.600     0.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.66631E-02 ppm1      8.850 ppm2      3.537 CV     1
 OR {   84}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 99   and name HA1 ))
 ASSI {   84}
   (( segid "B   " and resid 99   and name HN  ))
   (( segid "B   " and resid 99   and name HA2 ))
      2.300     0.600     0.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.66631E-02 ppm1      8.850 ppm2      3.537 CV     1
 OR {   84}
   (( segid "B   " and resid 99   and name HN  ))
   (( segid "B   " and resid 99   and name HA1 ))
 ASSI {   85}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 95   and name HA  ))
      3.600     1.600     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10010E-02 ppm1      8.861 ppm2      3.689 CV     1
 ASSI {   85}
   (( segid "B   " and resid 99   and name HN  ))
   (( segid "B   " and resid 95   and name HA  ))
      3.600     1.600     1.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10010E-02 ppm1      8.861 ppm2      3.689 CV     1
 ASSI {   88}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 114  and name HB3 ))
      2.900     1.000     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.22059E-02 ppm1      9.975 ppm2      2.001 CV     1
 ASSI {   88}
   (( segid "B   " and resid 114  and name HN  ))
   (( segid "B   " and resid 114  and name HB3 ))
      2.900     1.000     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.22059E-02 ppm1      9.975 ppm2      2.001 CV     1
 ASSI {   90}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 114  and name HG2 ))
      6.000     6.000     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      9.975 ppm2      2.109 CV     1
 ASSI {   90}
   (( segid "B   " and resid 114  and name HN  ))
   (( segid "B   " and resid 114  and name HG2 ))
      6.000     6.000     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      9.975 ppm2      2.109 CV     1
 ASSI {   92}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 114  and name HA  ))
      3.200     1.300     1.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.12501E-02 ppm1      9.975 ppm2      3.862 CV     1
 ASSI {   92}
   (( segid "B   " and resid 114  and name HN  ))
   (( segid "B   " and resid 114  and name HA  ))
      3.200     1.300     1.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.12501E-02 ppm1      9.975 ppm2      3.862 CV     1
 ASSI {   93}
   (( segid "A   " and resid 124  and name HN  ))
   (  segid "A   " and resid 125  and name HD1%)
      4.400     2.400     1.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.10703E-02 ppm1      7.790 ppm2     -0.206 CV     1
 ASSI {   93}
   (( segid "B   " and resid 124  and name HN  ))
   (  segid "B   " and resid 125  and name HD1%)
      4.400     2.400     1.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.10703E-02 ppm1      7.790 ppm2     -0.206 CV     1
 ASSI {   95}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 123  and name HB3 ))
      3.600     1.600     1.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.10883E-02 ppm1      7.779 ppm2      2.066 CV     1
 ASSI {   95}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 123  and name HB3 ))
      3.600     1.600     1.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.10883E-02 ppm1      7.779 ppm2      2.066 CV     1
 ASSI {   96}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 123  and name HB2 ))
      4.000     2.000     2.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.10864E-02 ppm1      7.779 ppm2      1.763 CV     1
 ASSI {   96}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 123  and name HB2 ))
      4.000     2.000     2.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.10864E-02 ppm1      7.779 ppm2      1.763 CV     1
 ASSI {   99}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 125  and name HG  ))
      4.400     2.400     1.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.49391E-03 ppm1      7.779 ppm2      0.681 CV     1
 ASSI {   99}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 125  and name HG  ))
      4.400     2.400     1.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.49391E-03 ppm1      7.779 ppm2      0.681 CV     1
 ASSI {  100}
   (( segid "A   " and resid 124  and name HN  ))
   (  segid "A   " and resid 125  and name HD2%)
      4.900     3.100     1.100 peak   100 spectrum    1 weight  0.10000E+01 volume  0.45939E-03 ppm1      7.779 ppm2      0.118 CV     1
 ASSI {  100}
   (( segid "B   " and resid 124  and name HN  ))
   (  segid "B   " and resid 125  and name HD2%)
      4.900     3.100     1.100 peak   100 spectrum    1 weight  0.10000E+01 volume  0.45939E-03 ppm1      7.779 ppm2      0.118 CV     1
 ASSI {  101}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 125  and name HN  ))
      2.700     0.900     0.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.35078E-02 ppm1      7.779 ppm2      7.324 CV     1
 ASSI {  101}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 125  and name HN  ))
      2.700     0.900     0.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.35078E-02 ppm1      7.779 ppm2      7.324 CV     1
 ASSI {  102}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 123  and name HA  ))
      2.700     0.900     0.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.34382E-02 ppm1      7.779 ppm2      4.252 CV     1
 ASSI {  102}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 123  and name HA  ))
      2.700     0.900     0.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.34382E-02 ppm1      7.779 ppm2      4.252 CV     1
 ASSI {  103}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 122  and name HA  ))
      3.100     1.200     1.200 peak   103 spectrum    1 weight  0.10000E+01 volume  0.17678E-02 ppm1      7.779 ppm2      3.992 CV     1
 ASSI {  103}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 122  and name HA  ))
      3.100     1.200     1.200 peak   103 spectrum    1 weight  0.10000E+01 volume  0.17678E-02 ppm1      7.779 ppm2      3.992 CV     1
 ASSI {  104}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 124  and name HA2 ))
      2.700     0.900     0.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.71906E-02 ppm1      7.779 ppm2      3.840 CV     1
 ASSI {  104}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 124  and name HA2 ))
      2.700     0.900     0.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.71906E-02 ppm1      7.779 ppm2      3.840 CV     1
 ASSI {  105}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 124  and name HA1 ))
      2.300     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.74424E-02 ppm1      7.779 ppm2      3.711 CV     1
 ASSI {  105}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 124  and name HA1 ))
      2.300     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.74424E-02 ppm1      7.779 ppm2      3.711 CV     1
 ASSI {  106}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HB3 ))
      3.800     1.800     1.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.90464E-03 ppm1      8.623 ppm2      1.676 CV     1
 OR {  106}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HB2 ))
 ASSI {  106}
   (( segid "B   " and resid 4    and name HN  ))
   (( segid "B   " and resid 3    and name HB3 ))
      3.800     1.800     1.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.90464E-03 ppm1      8.623 ppm2      1.676 CV     1
 OR {  106}
   (( segid "B   " and resid 4    and name HN  ))
   (( segid "B   " and resid 3    and name HB2 ))
 ASSI {  107}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak   107 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      8.623 ppm2      8.190 CV     1
 ASSI {  107}
   (( segid "B   " and resid 4    and name HN  ))
   (( segid "B   " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak   107 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      8.623 ppm2      8.190 CV     1
 ASSI {  108}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 4    and name HA2 ))
      2.500     0.800     0.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.38146E-02 ppm1      8.623 ppm2      4.252 CV     1
 ASSI {  108}
   (( segid "B   " and resid 4    and name HN  ))
   (( segid "B   " and resid 4    and name HA2 ))
      2.500     0.800     0.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.38146E-02 ppm1      8.623 ppm2      4.252 CV     1
 ASSI {  109}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 4    and name HA1 ))
      3.000     1.100     1.100 peak   109 spectrum    1 weight  0.10000E+01 volume  0.27478E-02 ppm1      8.623 ppm2      3.970 CV     1
 ASSI {  109}
   (( segid "B   " and resid 4    and name HN  ))
   (( segid "B   " and resid 4    and name HA1 ))
      3.000     1.100     1.100 peak   109 spectrum    1 weight  0.10000E+01 volume  0.27478E-02 ppm1      8.623 ppm2      3.970 CV     1
 ASSI {  110}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 5    and name HB2 ))
      4.700     2.700     1.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.58933E-03 ppm1      8.634 ppm2      2.066 CV     1
 OR {  110}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 5    and name HB3 ))
 ASSI {  110}
   (( segid "B   " and resid 4    and name HN  ))
   (( segid "B   " and resid 5    and name HB2 ))
      4.700     2.700     1.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.58933E-03 ppm1      8.634 ppm2      2.066 CV     1
 OR {  110}
   (( segid "B   " and resid 4    and name HN  ))
   (( segid "B   " and resid 5    and name HB3 ))
 ASSI {  112}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "B   " and resid 75   and name HA  ))
      5.100     3.200     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.32896E-03 ppm1      8.634 ppm2      4.555 CV     1
 ASSI {  112}
   (( segid "B   " and resid 4    and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      5.100     3.200     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.32896E-03 ppm1      8.634 ppm2      4.555 CV     1
 ASSI {  113}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      3.400     1.400     1.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.10137E-02 ppm1      8.634 ppm2      4.425 CV     1
 ASSI {  113}
   (( segid "B   " and resid 4    and name HN  ))
   (( segid "B   " and resid 3    and name HA  ))
      3.400     1.400     1.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.10137E-02 ppm1      8.634 ppm2      4.425 CV     1
 ASSI {  114}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 111  and name HN  ))
      3.600     1.600     1.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.13065E-02 ppm1      7.779 ppm2      9.099 CV     1
 ASSI {  114}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 111  and name HN  ))
      3.600     1.600     1.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.13065E-02 ppm1      7.779 ppm2      9.099 CV     1
 ASSI {  116}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 86   and name HN  ))
      3.800     1.800     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.10169E-02 ppm1      7.779 ppm2      8.774 CV     1
 ASSI {  116}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 86   and name HN  ))
      3.800     1.800     1.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.10169E-02 ppm1      7.779 ppm2      8.774 CV     1
 ASSI {  117}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 84   and name HB3 ))
      4.000     2.000     2.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.14678E-02 ppm1      7.790 ppm2      2.434 CV     1
 ASSI {  117}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 84   and name HB3 ))
      4.000     2.000     2.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.14678E-02 ppm1      7.790 ppm2      2.434 CV     1
 ASSI {  119}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 85   and name HB  ))
      3.200     1.300     1.300 peak   119 spectrum    1 weight  0.10000E+01 volume  0.24504E-02 ppm1      7.790 ppm2      1.958 CV     1
 ASSI {  119}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 85   and name HB  ))
      3.200     1.300     1.300 peak   119 spectrum    1 weight  0.10000E+01 volume  0.24504E-02 ppm1      7.790 ppm2      1.958 CV     1
 ASSI {  120}
   (( segid "A   " and resid 85   and name HN  ))
   (  segid "A   " and resid 85   and name HG1%)
      2.900     1.000     1.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.31840E-02 ppm1      7.790 ppm2      1.049 CV     1
 ASSI {  120}
   (( segid "B   " and resid 85   and name HN  ))
   (  segid "B   " and resid 85   and name HG1%)
      2.900     1.000     1.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.31840E-02 ppm1      7.790 ppm2      1.049 CV     1
 ASSI {  121}
   (( segid "A   " and resid 85   and name HN  ))
   (  segid "A   " and resid 85   and name HG2%)
      2.400     0.700     0.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.72193E-02 ppm1      7.790 ppm2      0.768 CV     1
 ASSI {  121}
   (( segid "B   " and resid 85   and name HN  ))
   (  segid "B   " and resid 85   and name HG2%)
      2.400     0.700     0.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.72193E-02 ppm1      7.790 ppm2      0.768 CV     1
 ASSI {  122}
   (( segid "A   " and resid 85   and name HN  ))
   (  segid "A   " and resid 111  and name HD% )
      3.700     1.700     1.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.61140E-03 ppm1      7.790 ppm2      6.978 CV     1
 ASSI {  122}
   (( segid "B   " and resid 85   and name HN  ))
   (  segid "B   " and resid 111  and name HD% )
      3.700     1.700     1.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.61140E-03 ppm1      7.790 ppm2      6.978 CV     1
 ASSI {  123}
   (( segid "A   " and resid 85   and name HN  ))
   (  segid "A   " and resid 111  and name HE% )
      3.600     1.600     1.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.72504E-03 ppm1      7.790 ppm2      6.697 CV     1
 ASSI {  123}
   (( segid "B   " and resid 85   and name HN  ))
   (  segid "B   " and resid 111  and name HE% )
      3.600     1.600     1.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.72504E-03 ppm1      7.790 ppm2      6.697 CV     1
 ASSI {  124}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 85   and name HA  ))
      2.900     1.000     1.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.18117E-02 ppm1      7.790 ppm2      5.247 CV     1
 ASSI {  124}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 85   and name HA  ))
      2.900     1.000     1.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.18117E-02 ppm1      7.790 ppm2      5.247 CV     1
 ASSI {  125}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 84   and name HA  ))
      2.200     0.600     0.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.67709E-02 ppm1      7.790 ppm2      5.096 CV     1
 ASSI {  125}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 84   and name HA  ))
      2.200     0.600     0.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.67709E-02 ppm1      7.790 ppm2      5.096 CV     1
 ASSI {  126}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 109  and name HB  ))
      3.600     1.600     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.16959E-02 ppm1      7.790 ppm2      3.711 CV     1
 ASSI {  126}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 109  and name HB  ))
      3.600     1.600     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.16959E-02 ppm1      7.790 ppm2      3.711 CV     1
 ASSI {  127}
   (( segid "A   " and resid 35   and name HE21))
   (( segid "A   " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.17405E-02 ppm1      6.686 ppm2      1.871 CV     1
 OR {  127}
   (( segid "A   " and resid 35   and name HE21))
   (( segid "A   " and resid 35   and name HG2 ))
 ASSI {  127}
   (( segid "B   " and resid 35   and name HE21))
   (( segid "B   " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.17405E-02 ppm1      6.686 ppm2      1.871 CV     1
 OR {  127}
   (( segid "B   " and resid 35   and name HE21))
   (( segid "B   " and resid 35   and name HG2 ))
 ASSI {  128}
   (( segid "A   " and resid 35   and name HE21))
   (( segid "A   " and resid 35   and name HE22))
      1.700     0.300     0.500 peak   128 spectrum    1 weight  0.10000E+01 volume  0.23142E-01 ppm1      6.686 ppm2      7.000 CV     1
 ASSI {  128}
   (( segid "B   " and resid 35   and name HE21))
   (( segid "B   " and resid 35   and name HE22))
      1.700     0.300     0.500 peak   128 spectrum    1 weight  0.10000E+01 volume  0.23142E-01 ppm1      6.686 ppm2      7.000 CV     1
 ASSI {  129}
   (( segid "A   " and resid 35   and name HE21))
   (( segid "A   " and resid 35   and name HA  ))
      4.300     2.300     1.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.71713E-03 ppm1      6.686 ppm2      3.862 CV     1
 ASSI {  129}
   (( segid "B   " and resid 35   and name HE21))
   (( segid "B   " and resid 35   and name HA  ))
      4.300     2.300     1.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.71713E-03 ppm1      6.686 ppm2      3.862 CV     1
 ASSI {  130}
   (( segid "A   " and resid 35   and name HE22))
   (( segid "A   " and resid 35   and name HG3 ))
      3.900     1.900     1.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.10449E-02 ppm1      7.022 ppm2      1.979 CV     1
 ASSI {  130}
   (( segid "B   " and resid 35   and name HE22))
   (( segid "B   " and resid 35   and name HG3 ))
      3.900     1.900     1.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.10449E-02 ppm1      7.022 ppm2      1.979 CV     1
 ASSI {  131}
   (( segid "A   " and resid 35   and name HE22))
   (( segid "A   " and resid 35   and name HB2 ))
      3.300     1.400     1.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.36205E-02 ppm1      7.022 ppm2      1.871 CV     1
 OR {  131}
   (( segid "A   " and resid 35   and name HE22))
   (( segid "A   " and resid 35   and name HG2 ))
 ASSI {  131}
   (( segid "B   " and resid 35   and name HE22))
   (( segid "B   " and resid 35   and name HB2 ))
      3.300     1.400     1.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.36205E-02 ppm1      7.022 ppm2      1.871 CV     1
 OR {  131}
   (( segid "B   " and resid 35   and name HE22))
   (( segid "B   " and resid 35   and name HG2 ))
 ASSI {  134}
   (( segid "A   " and resid 35   and name HE22))
   (( segid "A   " and resid 35   and name HA  ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.33424E-03 ppm1      7.022 ppm2      3.862 CV     1
 ASSI {  134}
   (( segid "B   " and resid 35   and name HE22))
   (( segid "B   " and resid 35   and name HA  ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.33424E-03 ppm1      7.022 ppm2      3.862 CV     1
 ASSI {  135}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 79   and name HN  ))
      2.800     1.000     1.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.16309E-02 ppm1      8.948 ppm2      7.822 CV     1
 ASSI {  135}
   (( segid "B   " and resid 78   and name HN  ))
   (( segid "B   " and resid 79   and name HN  ))
      2.800     1.000     1.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.16309E-02 ppm1      8.948 ppm2      7.822 CV     1
 ASSI {  136}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 78   and name HA2 ))
      3.200     1.300     1.300 peak   136 spectrum    1 weight  0.10000E+01 volume  0.22226E-02 ppm1      8.958 ppm2      4.122 CV     1
 ASSI {  136}
   (( segid "B   " and resid 78   and name HN  ))
   (( segid "B   " and resid 78   and name HA2 ))
      3.200     1.300     1.300 peak   136 spectrum    1 weight  0.10000E+01 volume  0.22226E-02 ppm1      8.958 ppm2      4.122 CV     1
 ASSI {  137}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 78   and name HA1 ))
      2.800     1.000     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.18627E-02 ppm1      8.958 ppm2      3.797 CV     1
 ASSI {  137}
   (( segid "B   " and resid 78   and name HN  ))
   (( segid "B   " and resid 78   and name HA1 ))
      2.800     1.000     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.18627E-02 ppm1      8.958 ppm2      3.797 CV     1
 ASSI {  141}
   (( segid "A   " and resid 61   and name HD21))
   (( segid "A   " and resid 40   and name HN  ))
      4.200     2.200     1.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.25631E-03 ppm1      6.491 ppm2      7.757 CV     1
 ASSI {  141}
   (( segid "B   " and resid 61   and name HD21))
   (( segid "B   " and resid 40   and name HN  ))
      4.200     2.200     1.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.25631E-03 ppm1      6.491 ppm2      7.757 CV     1
 ASSI {  142}
   (( segid "A   " and resid 61   and name HD21))
   (( segid "A   " and resid 61   and name HD22))
      1.600     0.300     0.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.22385E-01 ppm1      6.491 ppm2      7.238 CV     1
 ASSI {  142}
   (( segid "B   " and resid 61   and name HD21))
   (( segid "B   " and resid 61   and name HD22))
      1.600     0.300     0.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.22385E-01 ppm1      6.491 ppm2      7.238 CV     1
 ASSI {  144}
   (( segid "A   " and resid 61   and name HD21))
   (( segid "A   " and resid 39   and name HA  ))
      3.700     1.700     1.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.82598E-03 ppm1      6.491 ppm2      4.490 CV     1
 ASSI {  144}
   (( segid "B   " and resid 61   and name HD21))
   (( segid "B   " and resid 39   and name HA  ))
      3.700     1.700     1.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.82598E-03 ppm1      6.491 ppm2      4.490 CV     1
 ASSI {  145}
   (( segid "A   " and resid 61   and name HD21))
   (( segid "A   " and resid 41   and name HA  ))
      3.100     1.200     1.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.92525E-03 ppm1      6.491 ppm2      4.230 CV     1
 ASSI {  145}
   (( segid "B   " and resid 61   and name HD21))
   (( segid "B   " and resid 41   and name HA  ))
      3.100     1.200     1.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.92525E-03 ppm1      6.491 ppm2      4.230 CV     1
 ASSI {  146}
   (( segid "A   " and resid 61   and name HD21))
   (( segid "A   " and resid 61   and name HB3 ))
      3.900     1.900     1.900 peak   146 spectrum    1 weight  0.10000E+01 volume  0.13156E-02 ppm1      6.491 ppm2      3.191 CV     1
 ASSI {  146}
   (( segid "B   " and resid 61   and name HD21))
   (( segid "B   " and resid 61   and name HB3 ))
      3.900     1.900     1.900 peak   146 spectrum    1 weight  0.10000E+01 volume  0.13156E-02 ppm1      6.491 ppm2      3.191 CV     1
 ASSI {  147}
   (( segid "A   " and resid 61   and name HD21))
   (( segid "A   " and resid 61   and name HB2 ))
      2.600     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.15676E-02 ppm1      6.491 ppm2      2.758 CV     1
 ASSI {  147}
   (( segid "B   " and resid 61   and name HD21))
   (( segid "B   " and resid 61   and name HB2 ))
      2.600     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.15676E-02 ppm1      6.491 ppm2      2.758 CV     1
 ASSI {  152}
   (( segid "A   " and resid 61   and name HD22))
   (( segid "A   " and resid 61   and name HA  ))
      4.900     3.000     1.100 peak   152 spectrum    1 weight  0.10000E+01 volume  0.63850E-03 ppm1      7.238 ppm2      4.944 CV     1
 ASSI {  152}
   (( segid "B   " and resid 61   and name HD22))
   (( segid "B   " and resid 61   and name HA  ))
      4.900     3.000     1.100 peak   152 spectrum    1 weight  0.10000E+01 volume  0.63850E-03 ppm1      7.238 ppm2      4.944 CV     1
 ASSI {  154}
   (( segid "A   " and resid 61   and name HD22))
   (( segid "A   " and resid 39   and name HA  ))
      3.600     1.600     1.600 peak   154 spectrum    1 weight  0.10000E+01 volume  0.10730E-02 ppm1      7.238 ppm2      4.490 CV     1
 ASSI {  154}
   (( segid "B   " and resid 61   and name HD22))
   (( segid "B   " and resid 39   and name HA  ))
      3.600     1.600     1.600 peak   154 spectrum    1 weight  0.10000E+01 volume  0.10730E-02 ppm1      7.238 ppm2      4.490 CV     1
 ASSI {  155}
   (( segid "A   " and resid 61   and name HD22))
   (( segid "A   " and resid 41   and name HA  ))
      4.400     2.500     1.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.11811E-02 ppm1      7.238 ppm2      4.230 CV     1
 ASSI {  155}
   (( segid "B   " and resid 61   and name HD22))
   (( segid "B   " and resid 41   and name HA  ))
      4.400     2.500     1.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.11811E-02 ppm1      7.238 ppm2      4.230 CV     1
 ASSI {  156}
   (( segid "A   " and resid 61   and name HD22))
   (( segid "A   " and resid 61   and name HB3 ))
      4.000     2.000     2.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.18469E-02 ppm1      7.238 ppm2      3.191 CV     1
 ASSI {  156}
   (( segid "B   " and resid 61   and name HD22))
   (( segid "B   " and resid 61   and name HB3 ))
      4.000     2.000     2.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.18469E-02 ppm1      7.238 ppm2      3.191 CV     1
 ASSI {  157}
   (( segid "A   " and resid 61   and name HD22))
   (( segid "A   " and resid 61   and name HB2 ))
      3.600     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.23629E-02 ppm1      7.238 ppm2      2.758 CV     1
 ASSI {  157}
   (( segid "B   " and resid 61   and name HD22))
   (( segid "B   " and resid 61   and name HB2 ))
      3.600     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.23629E-02 ppm1      7.238 ppm2      2.758 CV     1
 ASSI {  158}
   (( segid "A   " and resid 61   and name HD22))
   (( segid "A   " and resid 39   and name HN  ))
      3.900     1.900     1.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.54403E-03 ppm1      7.238 ppm2      8.493 CV     1
 ASSI {  158}
   (( segid "B   " and resid 61   and name HD22))
   (( segid "B   " and resid 39   and name HN  ))
      3.900     1.900     1.900 peak   158 spectrum    1 weight  0.10000E+01 volume  0.54403E-03 ppm1      7.238 ppm2      8.493 CV     1
 ASSI {  160}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 54   and name HB3 ))
      3.200     1.300     1.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.36299E-02 ppm1      8.309 ppm2      2.066 CV     1
 ASSI {  160}
   (( segid "B   " and resid 54   and name HN  ))
   (( segid "B   " and resid 54   and name HB3 ))
      3.200     1.300     1.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.36299E-02 ppm1      8.309 ppm2      2.066 CV     1
 ASSI {  161}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 54   and name HB2 ))
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.29083E-02 ppm1      8.309 ppm2      1.958 CV     1
 ASSI {  161}
   (( segid "B   " and resid 54   and name HN  ))
   (( segid "B   " and resid 54   and name HB2 ))
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.29083E-02 ppm1      8.309 ppm2      1.958 CV     1
 ASSI {  162}
   (( segid "A   " and resid 54   and name HN  ))
   (  segid "A   " and resid 53   and name HB% )
      2.700     0.900     0.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.46683E-02 ppm1      8.309 ppm2      1.482 CV     1
 ASSI {  162}
   (( segid "B   " and resid 54   and name HN  ))
   (  segid "B   " and resid 53   and name HB% )
      2.700     0.900     0.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.46683E-02 ppm1      8.309 ppm2      1.482 CV     1
 ASSI {  164}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 54   and name HA  ))
      2.800     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.30643E-02 ppm1      8.309 ppm2      4.684 CV     1
 ASSI {  164}
   (( segid "B   " and resid 54   and name HN  ))
   (( segid "B   " and resid 54   and name HA  ))
      2.800     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.30643E-02 ppm1      8.309 ppm2      4.684 CV     1
 ASSI {  165}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.20486E-02 ppm1      8.309 ppm2      4.273 CV     1
 ASSI {  165}
   (( segid "B   " and resid 54   and name HN  ))
   (( segid "B   " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.20486E-02 ppm1      8.309 ppm2      4.273 CV     1
 ASSI {  166}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 51   and name HA  ))
      3.700     1.700     1.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.17323E-02 ppm1      8.309 ppm2      3.776 CV     1
 ASSI {  166}
   (( segid "B   " and resid 54   and name HN  ))
   (( segid "B   " and resid 51   and name HA  ))
      3.700     1.700     1.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.17323E-02 ppm1      8.309 ppm2      3.776 CV     1
 ASSI {  167}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 54   and name HG3 ))
      3.000     1.100     1.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.13997E-02 ppm1      8.309 ppm2      2.802 CV     1
 ASSI {  167}
   (( segid "B   " and resid 54   and name HN  ))
   (( segid "B   " and resid 54   and name HG3 ))
      3.000     1.100     1.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.13997E-02 ppm1      8.309 ppm2      2.802 CV     1
 ASSI {  168}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 54   and name HG2 ))
      3.400     1.400     1.400 peak   168 spectrum    1 weight  0.10000E+01 volume  0.19824E-02 ppm1      8.309 ppm2      2.542 CV     1
 ASSI {  168}
   (( segid "B   " and resid 54   and name HN  ))
   (( segid "B   " and resid 54   and name HG2 ))
      3.400     1.400     1.400 peak   168 spectrum    1 weight  0.10000E+01 volume  0.19824E-02 ppm1      8.309 ppm2      2.542 CV     1
 ASSI {  174}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 70   and name HB2 ))
      3.900     1.900     1.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.11902E-02 ppm1     10.224 ppm2      1.417 CV     1
 ASSI {  174}
   (( segid "B   " and resid 71   and name HN  ))
   (( segid "B   " and resid 70   and name HB2 ))
      3.900     1.900     1.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.11902E-02 ppm1     10.224 ppm2      1.417 CV     1
 ASSI {  175}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 70   and name HG  ))
      3.000     1.100     1.100 peak   175 spectrum    1 weight  0.10000E+01 volume  0.60734E-03 ppm1     10.224 ppm2      0.984 CV     1
 ASSI {  175}
   (( segid "B   " and resid 71   and name HN  ))
   (( segid "B   " and resid 70   and name HG  ))
      3.000     1.100     1.100 peak   175 spectrum    1 weight  0.10000E+01 volume  0.60734E-03 ppm1     10.224 ppm2      0.984 CV     1
 ASSI {  176}
   (( segid "A   " and resid 71   and name HN  ))
   (  segid "A   " and resid 70   and name HD2%)
      4.900     3.000     1.100 peak   176 spectrum    1 weight  0.10000E+01 volume  0.42654E-03 ppm1     10.224 ppm2      0.638 CV     1
 ASSI {  176}
   (( segid "B   " and resid 71   and name HN  ))
   (  segid "B   " and resid 70   and name HD2%)
      4.900     3.000     1.100 peak   176 spectrum    1 weight  0.10000E+01 volume  0.42654E-03 ppm1     10.224 ppm2      0.638 CV     1
 ASSI {  181}
   (( segid "A   " and resid 14   and name HE21))
   (( segid "A   " and resid 14   and name HG2 ))
      3.300     1.400     1.400 peak   181 spectrum    1 weight  0.10000E+01 volume  0.19941E-02 ppm1      6.892 ppm2      2.304 CV     1
 ASSI {  181}
   (( segid "B   " and resid 14   and name HE21))
   (( segid "B   " and resid 14   and name HG2 ))
      3.300     1.400     1.400 peak   181 spectrum    1 weight  0.10000E+01 volume  0.19941E-02 ppm1      6.892 ppm2      2.304 CV     1
 ASSI {  183}
   (( segid "A   " and resid 14   and name HE21))
   (( segid "A   " and resid 14   and name HE22))
      1.800     0.400     0.400 peak   183 spectrum    1 weight  0.10000E+01 volume  0.11291E-01 ppm1      6.892 ppm2      7.671 CV     1
 ASSI {  183}
   (( segid "B   " and resid 14   and name HE21))
   (( segid "B   " and resid 14   and name HE22))
      1.800     0.400     0.400 peak   183 spectrum    1 weight  0.10000E+01 volume  0.11291E-01 ppm1      6.892 ppm2      7.671 CV     1
 ASSI {  184}
   (( segid "A   " and resid 14   and name HE21))
   (( segid "A   " and resid 14   and name HG3 ))
      2.800     1.000     1.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.97705E-03 ppm1      6.892 ppm2      2.867 CV     1
 ASSI {  184}
   (( segid "B   " and resid 14   and name HE21))
   (( segid "B   " and resid 14   and name HG3 ))
      2.800     1.000     1.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.97705E-03 ppm1      6.892 ppm2      2.867 CV     1
 ASSI {  188}
   (( segid "A   " and resid 14   and name HE22))
   (( segid "A   " and resid 14   and name HA  ))
      5.200     3.300     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.80752E-03 ppm1      7.671 ppm2      4.035 CV     1
 ASSI {  188}
   (( segid "B   " and resid 14   and name HE22))
   (( segid "B   " and resid 14   and name HA  ))
      5.200     3.300     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.80752E-03 ppm1      7.671 ppm2      4.035 CV     1
 ASSI {  189}
   (( segid "A   " and resid 14   and name HE22))
   (( segid "A   " and resid 14   and name HG3 ))
      3.900     1.900     1.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.16091E-02 ppm1      7.671 ppm2      2.867 CV     1
 ASSI {  189}
   (( segid "B   " and resid 14   and name HE22))
   (( segid "B   " and resid 14   and name HG3 ))
      3.900     1.900     1.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.16091E-02 ppm1      7.671 ppm2      2.867 CV     1
 ASSI {  191}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 30   and name HN  ))
      3.800     1.800     1.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.73823E-03 ppm1      8.266 ppm2      9.056 CV     1
 ASSI {  191}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 30   and name HN  ))
      3.800     1.800     1.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.73823E-03 ppm1      8.266 ppm2      9.056 CV     1
 ASSI {  192}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HG2 ))
      2.800     1.000     1.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.18160E-02 ppm1      8.266 ppm2      2.001 CV     1
 ASSI {  192}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HG2 ))
      2.800     1.000     1.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.18160E-02 ppm1      8.266 ppm2      2.001 CV     1
 ASSI {  193}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HB2 ))
      2.200     0.600     0.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.10914E-01 ppm1      8.266 ppm2      1.720 CV     1
 OR {  193}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HB3 ))
 ASSI {  193}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HB2 ))
      2.200     0.600     0.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.10914E-01 ppm1      8.266 ppm2      1.720 CV     1
 OR {  193}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HB3 ))
 ASSI {  194}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HG3 ))
      3.400     1.500     1.500 peak   194 spectrum    1 weight  0.10000E+01 volume  0.29779E-02 ppm1      8.266 ppm2      1.503 CV     1
 ASSI {  194}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HG3 ))
      3.400     1.500     1.500 peak   194 spectrum    1 weight  0.10000E+01 volume  0.29779E-02 ppm1      8.266 ppm2      1.503 CV     1
 ASSI {  195}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HG2 ))
      2.900     1.100     1.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.15076E-02 ppm1      8.266 ppm2      1.244 CV     1
 ASSI {  195}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HG2 ))
      2.900     1.100     1.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.15076E-02 ppm1      8.266 ppm2      1.244 CV     1
 ASSI {  196}
   (( segid "A   " and resid 28   and name HN  ))
   (  segid "A   " and resid 125  and name HD2%)
      4.100     2.100     1.900 peak   196 spectrum    1 weight  0.10000E+01 volume  0.66799E-03 ppm1      8.266 ppm2      0.118 CV     1
 ASSI {  196}
   (( segid "B   " and resid 28   and name HN  ))
   (  segid "B   " and resid 125  and name HD2%)
      4.100     2.100     1.900 peak   196 spectrum    1 weight  0.10000E+01 volume  0.66799E-03 ppm1      8.266 ppm2      0.118 CV     1
 ASSI {  197}
   (( segid "A   " and resid 28   and name HN  ))
   (  segid "A   " and resid 125  and name HD1%)
      3.500     1.600     1.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.14981E-02 ppm1      8.266 ppm2     -0.206 CV     1
 ASSI {  197}
   (( segid "B   " and resid 28   and name HN  ))
   (  segid "B   " and resid 125  and name HD1%)
      3.500     1.600     1.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.14981E-02 ppm1      8.266 ppm2     -0.206 CV     1
 ASSI {  198}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 29   and name HN  ))
      2.600     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.33592E-02 ppm1      8.266 ppm2      7.627 CV     1
 ASSI {  198}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 29   and name HN  ))
      2.600     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.33592E-02 ppm1      8.266 ppm2      7.627 CV     1
 ASSI {  201}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HD2 ))
      3.300     1.300     1.300 peak   201 spectrum    1 weight  0.10000E+01 volume  0.12437E-02 ppm1      8.266 ppm2      3.927 CV     1
 ASSI {  201}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HD2 ))
      3.300     1.300     1.300 peak   201 spectrum    1 weight  0.10000E+01 volume  0.12437E-02 ppm1      8.266 ppm2      3.927 CV     1
 ASSI {  202}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.30906E-02 ppm1      8.266 ppm2      3.754 CV     1
 ASSI {  202}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.30906E-02 ppm1      8.266 ppm2      3.754 CV     1
 ASSI {  204}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HB3 ))
      3.900     1.900     1.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.87827E-03 ppm1      8.266 ppm2      2.650 CV     1
 ASSI {  204}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HB3 ))
      3.900     1.900     1.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.87827E-03 ppm1      8.266 ppm2      2.650 CV     1
 ASSI {  205}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HG3 ))
      4.100     2.100     1.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.12298E-02 ppm1      8.277 ppm2      2.217 CV     1
 ASSI {  205}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HG3 ))
      4.100     2.100     1.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.12298E-02 ppm1      8.277 ppm2      2.217 CV     1
 ASSI {  206}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HB2 ))
      5.900     4.400     0.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      8.277 ppm2      1.655 CV     1
 ASSI {  206}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HB2 ))
      5.900     4.400     0.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      8.277 ppm2      1.655 CV     1
 ASSI {  207}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HA  ))
      3.200     1.300     1.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      8.277 ppm2      4.555 CV     1
 ASSI {  207}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
      3.200     1.300     1.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      8.277 ppm2      4.555 CV     1
 ASSI {  208}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 29   and name HB2 ))
      4.900     3.000     1.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.46250E-03 ppm1      8.277 ppm2      2.564 CV     1
 ASSI {  208}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 29   and name HB2 ))
      4.900     3.000     1.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.46250E-03 ppm1      8.277 ppm2      2.564 CV     1
 ASSI {  209}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 59   and name HB  ))
      3.700     1.700     1.700 peak   209 spectrum    1 weight  0.10000E+01 volume  0.13966E-02 ppm1      6.881 ppm2      2.455 CV     1
 ASSI {  209}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 59   and name HB  ))
      3.700     1.700     1.700 peak   209 spectrum    1 weight  0.10000E+01 volume  0.13966E-02 ppm1      6.881 ppm2      2.455 CV     1
 ASSI {  210}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
      3.900     1.900     1.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.17587E-02 ppm1      6.881 ppm2      1.785 CV     1
 ASSI {  210}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 58   and name HB2 ))
      3.900     1.900     1.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.17587E-02 ppm1      6.881 ppm2      1.785 CV     1
 ASSI {  212}
   (( segid "A   " and resid 59   and name HN  ))
   (  segid "A   " and resid 59   and name HG1%)
      2.700     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.26566E-02 ppm1      6.881 ppm2      1.006 CV     1
 ASSI {  212}
   (( segid "B   " and resid 59   and name HN  ))
   (  segid "B   " and resid 59   and name HG1%)
      2.700     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.26566E-02 ppm1      6.881 ppm2      1.006 CV     1
 ASSI {  213}
   (( segid "A   " and resid 59   and name HN  ))
   (  segid "A   " and resid 59   and name HG2%)
      2.300     0.700     0.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.77635E-02 ppm1      6.881 ppm2      0.681 CV     1
 ASSI {  213}
   (( segid "B   " and resid 59   and name HN  ))
   (  segid "B   " and resid 59   and name HG2%)
      2.300     0.700     0.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.77635E-02 ppm1      6.881 ppm2      0.681 CV     1
 ASSI {  215}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak   215 spectrum    1 weight  0.10000E+01 volume  0.34981E-02 ppm1      6.881 ppm2      4.684 CV     1
 ASSI {  215}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak   215 spectrum    1 weight  0.10000E+01 volume  0.34981E-02 ppm1      6.881 ppm2      4.684 CV     1
 ASSI {  216}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      2.000     0.500     0.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.14170E-01 ppm1      6.881 ppm2      4.403 CV     1
 ASSI {  216}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 58   and name HA  ))
      2.000     0.500     0.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.14170E-01 ppm1      6.881 ppm2      4.403 CV     1
 ASSI {  218}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HB3 ))
      3.400     1.500     1.500 peak   218 spectrum    1 weight  0.10000E+01 volume  0.21087E-02 ppm1      6.881 ppm2      2.780 CV     1
 ASSI {  218}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 58   and name HB3 ))
      3.400     1.500     1.500 peak   218 spectrum    1 weight  0.10000E+01 volume  0.21087E-02 ppm1      6.881 ppm2      2.780 CV     1
 ASSI {  219}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 60   and name HN  ))
      4.100     2.100     1.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.74280E-03 ppm1      6.881 ppm2      8.558 CV     1
 ASSI {  219}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 60   and name HN  ))
      4.100     2.100     1.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.74280E-03 ppm1      6.881 ppm2      8.558 CV     1
 ASSI {  220}
   (( segid "A   " and resid 121  and name HN  ))
   (( segid "A   " and resid 121  and name HB3 ))
      3.400     1.400     1.400 peak   220 spectrum    1 weight  0.10000E+01 volume  0.48240E-02 ppm1      8.558 ppm2      2.152 CV     1
 ASSI {  220}
   (( segid "B   " and resid 121  and name HN  ))
   (( segid "B   " and resid 121  and name HB3 ))
      3.400     1.400     1.400 peak   220 spectrum    1 weight  0.10000E+01 volume  0.48240E-02 ppm1      8.558 ppm2      2.152 CV     1
 ASSI {  221}
   (( segid "A   " and resid 121  and name HN  ))
   (( segid "A   " and resid 121  and name HB2 ))
      2.700     0.900     0.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.16484E-02 ppm1      8.558 ppm2      1.503 CV     1
 ASSI {  221}
   (( segid "B   " and resid 121  and name HN  ))
   (( segid "B   " and resid 121  and name HB2 ))
      2.700     0.900     0.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.16484E-02 ppm1      8.558 ppm2      1.503 CV     1
 ASSI {  223}
   (( segid "A   " and resid 121  and name HN  ))
   (( segid "A   " and resid 121  and name HA  ))
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.28006E-02 ppm1      8.558 ppm2      4.273 CV     1
 ASSI {  223}
   (( segid "B   " and resid 121  and name HN  ))
   (( segid "B   " and resid 121  and name HA  ))
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.28006E-02 ppm1      8.558 ppm2      4.273 CV     1
 ASSI {  225}
   (( segid "A   " and resid 121  and name HN  ))
   (( segid "A   " and resid 120  and name HA  ))
      3.300     1.300     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.16038E-02 ppm1      8.558 ppm2      3.797 CV     1
 ASSI {  225}
   (( segid "B   " and resid 121  and name HN  ))
   (( segid "B   " and resid 120  and name HA  ))
      3.300     1.300     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.16038E-02 ppm1      8.558 ppm2      3.797 CV     1
 ASSI {  227}
   (( segid "A   " and resid 121  and name HN  ))
   (( segid "A   " and resid 121  and name HG  ))
      4.000     2.000     2.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.41864E-03 ppm1      8.569 ppm2      1.785 CV     1
 ASSI {  227}
   (( segid "B   " and resid 121  and name HN  ))
   (( segid "B   " and resid 121  and name HG  ))
      4.000     2.000     2.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.41864E-03 ppm1      8.569 ppm2      1.785 CV     1
 ASSI {  228}
   (( segid "A   " and resid 121  and name HN  ))
   (  segid "A   " and resid 121  and name HD2%)
      3.500     1.600     1.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.38027E-02 ppm1      8.569 ppm2      1.006 CV     1
 OR {  228}
   (( segid "A   " and resid 121  and name HN  ))
   (  segid "A   " and resid 121  and name HD1%)
 ASSI {  228}
   (( segid "B   " and resid 121  and name HN  ))
   (  segid "B   " and resid 121  and name HD2%)
      3.500     1.600     1.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.38027E-02 ppm1      8.569 ppm2      1.006 CV     1
 OR {  228}
   (( segid "B   " and resid 121  and name HN  ))
   (  segid "B   " and resid 121  and name HD1%)
 ASSI {  229}
   (( segid "A   " and resid 121  and name HN  ))
   (( segid "A   " and resid 120  and name HD1 ))
      3.900     1.900     1.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.80633E-03 ppm1      8.569 ppm2      6.589 CV     1
 ASSI {  229}
   (( segid "B   " and resid 121  and name HN  ))
   (( segid "B   " and resid 120  and name HD1 ))
      3.900     1.900     1.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.80633E-03 ppm1      8.569 ppm2      6.589 CV     1
 ASSI {  230}
   (( segid "A   " and resid 121  and name HN  ))
   (( segid "A   " and resid 120  and name HB3 ))
      3.200     1.200     1.200 peak   230 spectrum    1 weight  0.10000E+01 volume  0.91926E-03 ppm1      8.569 ppm2      3.451 CV     1
 OR {  230}
   (( segid "A   " and resid 121  and name HN  ))
   (( segid "A   " and resid 120  and name HB2 ))
 ASSI {  230}
   (( segid "B   " and resid 121  and name HN  ))
   (( segid "B   " and resid 120  and name HB3 ))
      3.200     1.200     1.200 peak   230 spectrum    1 weight  0.10000E+01 volume  0.91926E-03 ppm1      8.569 ppm2      3.451 CV     1
 OR {  230}
   (( segid "B   " and resid 121  and name HN  ))
   (( segid "B   " and resid 120  and name HB2 ))
 ASSI {  231}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 76   and name HB3 ))
      3.400     1.400     1.400 peak   231 spectrum    1 weight  0.10000E+01 volume  0.33616E-02 ppm1      7.498 ppm2      2.131 CV     1
 ASSI {  231}
   (( segid "B   " and resid 76   and name HN  ))
   (( segid "B   " and resid 76   and name HB3 ))
      3.400     1.400     1.400 peak   231 spectrum    1 weight  0.10000E+01 volume  0.33616E-02 ppm1      7.498 ppm2      2.131 CV     1
 ASSI {  234}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 76   and name HG3 ))
      3.000     1.100     1.100 peak   234 spectrum    1 weight  0.10000E+01 volume  0.52053E-02 ppm1      7.498 ppm2      1.460 CV     1
 ASSI {  234}
   (( segid "B   " and resid 76   and name HN  ))
   (( segid "B   " and resid 76   and name HG3 ))
      3.000     1.100     1.100 peak   234 spectrum    1 weight  0.10000E+01 volume  0.52053E-02 ppm1      7.498 ppm2      1.460 CV     1
 ASSI {  236}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 77   and name HN  ))
      2.300     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.65120E-02 ppm1      7.498 ppm2      7.865 CV     1
 ASSI {  236}
   (( segid "B   " and resid 76   and name HN  ))
   (( segid "B   " and resid 77   and name HN  ))
      2.300     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.65120E-02 ppm1      7.498 ppm2      7.865 CV     1
 ASSI {  237}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 76   and name HA  ))
      2.600     0.900     0.900 peak   237 spectrum    1 weight  0.10000E+01 volume  0.46467E-02 ppm1      7.498 ppm2      4.684 CV     1
 ASSI {  237}
   (( segid "B   " and resid 76   and name HN  ))
   (( segid "B   " and resid 76   and name HA  ))
      2.600     0.900     0.900 peak   237 spectrum    1 weight  0.10000E+01 volume  0.46467E-02 ppm1      7.498 ppm2      4.684 CV     1
 ASSI {  238}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.86844E-03 ppm1      7.498 ppm2      4.533 CV     1
 ASSI {  238}
   (( segid "B   " and resid 76   and name HN  ))
   (( segid "B   " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.86844E-03 ppm1      7.498 ppm2      4.533 CV     1
 ASSI {  239}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 77   and name HA  ))
      3.700     1.700     1.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.20308E-02 ppm1      7.498 ppm2      4.078 CV     1
 ASSI {  239}
   (( segid "B   " and resid 76   and name HN  ))
   (( segid "B   " and resid 77   and name HA  ))
      3.600     1.700     1.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.20308E-02 ppm1      7.498 ppm2      4.078 CV     1
 ASSI {  240}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 77   and name HB2 ))
      4.400     2.500     1.600 peak   240 spectrum    1 weight  0.10000E+01 volume  0.57880E-03 ppm1      7.498 ppm2      3.646 CV     1
 OR {  240}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 77   and name HB3 ))
 ASSI {  240}
   (( segid "B   " and resid 76   and name HN  ))
   (( segid "B   " and resid 77   and name HB2 ))
      4.400     2.500     1.600 peak   240 spectrum    1 weight  0.10000E+01 volume  0.57880E-03 ppm1      7.498 ppm2      3.646 CV     1
 OR {  240}
   (( segid "B   " and resid 76   and name HN  ))
   (( segid "B   " and resid 77   and name HB3 ))
 ASSI {  241}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 74   and name HA  ))
      3.600     1.600     1.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.52077E-03 ppm1      7.498 ppm2      3.494 CV     1
 ASSI {  241}
   (( segid "B   " and resid 76   and name HN  ))
   (( segid "B   " and resid 74   and name HA  ))
      3.600     1.600     1.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.52077E-03 ppm1      7.498 ppm2      3.494 CV     1
 ASSI {  246}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      3.100     1.200     1.200 peak   246 spectrum    1 weight  0.10000E+01 volume  0.39538E-02 ppm1      8.331 ppm2      1.157 CV     1
 OR {  246}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HD3 ))
 ASSI {  246}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 56   and name HB2 ))
      3.100     1.200     1.200 peak   246 spectrum    1 weight  0.10000E+01 volume  0.39538E-02 ppm1      8.331 ppm2      1.157 CV     1
 OR {  246}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 56   and name HD3 ))
 ASSI {  247}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HG2 ))
      4.100     2.100     1.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.14264E-02 ppm1      8.331 ppm2      0.941 CV     1
 ASSI {  247}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 56   and name HG2 ))
      4.100     2.100     1.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.14264E-02 ppm1      8.331 ppm2      0.941 CV     1
 ASSI {  248}
   (( segid "A   " and resid 56   and name HN  ))
   (  segid "A   " and resid 128  and name HD2%)
      5.400     3.700     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.55481E-03 ppm1      8.331 ppm2      0.681 CV     1
 ASSI {  248}
   (( segid "B   " and resid 56   and name HN  ))
   (  segid "B   " and resid 128  and name HD2%)
      5.400     3.700     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.55481E-03 ppm1      8.331 ppm2      0.681 CV     1
 ASSI {  249}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HN  ))
      3.800     1.800     1.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.15961E-02 ppm1      8.331 ppm2      7.541 CV     1
 ASSI {  249}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 55   and name HN  ))
      3.800     1.800     1.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.15961E-02 ppm1      8.331 ppm2      7.541 CV     1
 ASSI {  251}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HA  ))
      2.900     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.16040E-02 ppm1      8.331 ppm2      4.490 CV     1
 ASSI {  251}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 56   and name HA  ))
      2.900     1.100     1.100 peak   251 spectrum    1 weight  0.10000E+01 volume  0.16040E-02 ppm1      8.331 ppm2      4.490 CV     1
 ASSI {  252}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HA2 ))
      2.300     0.700     0.700 peak   252 spectrum    1 weight  0.10000E+01 volume  0.54882E-02 ppm1      8.331 ppm2      4.317 CV     1
 ASSI {  252}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 55   and name HA2 ))
      2.300     0.700     0.700 peak   252 spectrum    1 weight  0.10000E+01 volume  0.54882E-02 ppm1      8.331 ppm2      4.317 CV     1
 ASSI {  253}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HA1 ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.52172E-02 ppm1      8.331 ppm2      3.754 CV     1
 ASSI {  253}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 55   and name HA1 ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.52172E-02 ppm1      8.331 ppm2      3.754 CV     1
 ASSI {  255}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 36   and name HG2 ))
      3.200     1.200     1.200 peak   255 spectrum    1 weight  0.10000E+01 volume  0.25631E-02 ppm1      7.844 ppm2      2.196 CV     1
 OR {  255}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 36   and name HG3 ))
 ASSI {  255}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 36   and name HG2 ))
      3.200     1.200     1.200 peak   255 spectrum    1 weight  0.10000E+01 volume  0.25631E-02 ppm1      7.844 ppm2      2.196 CV     1
 OR {  255}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 36   and name HG3 ))
 ASSI {  257}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 36   and name HB2 ))
      1.900     0.400     0.400 peak   257 spectrum    1 weight  0.10000E+01 volume  0.10854E-01 ppm1      7.844 ppm2      1.936 CV     1
 ASSI {  257}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 36   and name HB2 ))
      1.900     0.400     0.400 peak   257 spectrum    1 weight  0.10000E+01 volume  0.10854E-01 ppm1      7.844 ppm2      1.936 CV     1
 ASSI {  259}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 35   and name HN  ))
      2.600     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.37380E-02 ppm1      7.844 ppm2      8.039 CV     1
 ASSI {  259}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 35   and name HN  ))
      2.600     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.37380E-02 ppm1      7.844 ppm2      8.039 CV     1
 ASSI {  260}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.49870E-02 ppm1      7.844 ppm2      7.411 CV     1
 ASSI {  260}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.49870E-02 ppm1      7.844 ppm2      7.411 CV     1
 ASSI {  261}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.35750E-02 ppm1      7.844 ppm2      4.143 CV     1
 ASSI {  261}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.35750E-02 ppm1      7.844 ppm2      4.143 CV     1
 ASSI {  263}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 37   and name HB3 ))
      4.800     2.900     1.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.49608E-03 ppm1      7.844 ppm2      2.888 CV     1
 ASSI {  263}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 37   and name HB3 ))
      4.800     2.900     1.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.49608E-03 ppm1      7.844 ppm2      2.888 CV     1
 ASSI {  264}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 122  and name HB3 ))
      2.400     0.700     0.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.10449E-01 ppm1      8.168 ppm2      2.261 CV     1
 OR {  264}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 122  and name HB2 ))
 OR {  264}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 122  and name HG2 ))
 ASSI {  264}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 122  and name HB3 ))
      2.400     0.700     0.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.10449E-01 ppm1      8.168 ppm2      2.261 CV     1
 OR {  264}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 122  and name HB2 ))
 OR {  264}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 122  and name HG2 ))
 ASSI {  265}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 123  and name HB3 ))
      2.900     1.100     1.100 peak   265 spectrum    1 weight  0.10000E+01 volume  0.41144E-02 ppm1      8.168 ppm2      2.044 CV     1
 ASSI {  265}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 123  and name HB3 ))
      2.900     1.100     1.100 peak   265 spectrum    1 weight  0.10000E+01 volume  0.41144E-02 ppm1      8.168 ppm2      2.044 CV     1
 ASSI {  266}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 123  and name HB2 ))
      2.400     0.700     0.700 peak   266 spectrum    1 weight  0.10000E+01 volume  0.45386E-02 ppm1      8.168 ppm2      1.763 CV     1
 ASSI {  266}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 123  and name HB2 ))
      2.400     0.700     0.700 peak   266 spectrum    1 weight  0.10000E+01 volume  0.45386E-02 ppm1      8.168 ppm2      1.763 CV     1
 ASSI {  268}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 124  and name HN  ))
      2.400     0.700     0.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.61427E-02 ppm1      8.168 ppm2      7.779 CV     1
 ASSI {  268}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 124  and name HN  ))
      2.400     0.700     0.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.61427E-02 ppm1      8.168 ppm2      7.779 CV     1
 ASSI {  269}
   (( segid "A   " and resid 123  and name HN  ))
   (  segid "A   " and resid 125  and name HD1%)
      4.400     2.400     1.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.69675E-03 ppm1      8.168 ppm2     -0.206 CV     1
 ASSI {  269}
   (( segid "B   " and resid 123  and name HN  ))
   (  segid "B   " and resid 125  and name HD1%)
      4.400     2.400     1.600 peak   269 spectrum    1 weight  0.10000E+01 volume  0.69675E-03 ppm1      8.168 ppm2     -0.206 CV     1
 ASSI {  271}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 125  and name HN  ))
      3.700     1.700     1.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.78908E-03 ppm1      8.168 ppm2      7.324 CV     1
 ASSI {  271}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 125  and name HN  ))
      3.700     1.700     1.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.78908E-03 ppm1      8.168 ppm2      7.324 CV     1
 ASSI {  272}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 123  and name HA  ))
      2.600     0.900     0.900 peak   272 spectrum    1 weight  0.10000E+01 volume  0.44739E-02 ppm1      8.168 ppm2      4.230 CV     1
 ASSI {  272}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 123  and name HA  ))
      2.600     0.900     0.900 peak   272 spectrum    1 weight  0.10000E+01 volume  0.44739E-02 ppm1      8.168 ppm2      4.230 CV     1
 ASSI {  273}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 122  and name HA  ))
      3.300     1.300     1.300 peak   273 spectrum    1 weight  0.10000E+01 volume  0.14988E-02 ppm1      8.168 ppm2      3.992 CV     1
 ASSI {  273}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 122  and name HA  ))
      3.300     1.300     1.300 peak   273 spectrum    1 weight  0.10000E+01 volume  0.14988E-02 ppm1      8.168 ppm2      3.992 CV     1
 ASSI {  275}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 124  and name HA1 ))
      4.300     2.300     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.12099E-02 ppm1      8.168 ppm2      3.711 CV     1
 ASSI {  275}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 124  and name HA1 ))
      4.300     2.300     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.12099E-02 ppm1      8.168 ppm2      3.711 CV     1
 ASSI {  276}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 122  and name HG3 ))
      5.000     3.100     1.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.65767E-03 ppm1      8.179 ppm2      2.434 CV     1
 ASSI {  276}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 122  and name HG3 ))
      5.000     3.100     1.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.65767E-03 ppm1      8.179 ppm2      2.434 CV     1
 ASSI {  277}
   (( segid "A   " and resid 123  and name HN  ))
   (  segid "A   " and resid 125  and name HD2%)
      5.200     3.400     0.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.62602E-03 ppm1      8.179 ppm2      0.118 CV     1
 ASSI {  277}
   (( segid "B   " and resid 123  and name HN  ))
   (  segid "B   " and resid 125  and name HD2%)
      5.200     3.400     0.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.62602E-03 ppm1      8.179 ppm2      0.118 CV     1
 ASSI {  278}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 128  and name HA  ))
      4.300     2.300     1.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.70779E-03 ppm1      8.331 ppm2      4.641 CV     1
 ASSI {  278}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 128  and name HA  ))
      4.300     2.300     1.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.70779E-03 ppm1      8.331 ppm2      4.641 CV     1
 ASSI {  280}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 48   and name HG2 ))
      2.400     0.700     0.700 peak   280 spectrum    1 weight  0.10000E+01 volume  0.42319E-02 ppm1      8.969 ppm2      2.239 CV     1
 ASSI {  280}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 48   and name HG2 ))
      2.400     0.700     0.700 peak   280 spectrum    1 weight  0.10000E+01 volume  0.42319E-02 ppm1      8.969 ppm2      2.239 CV     1
 ASSI {  281}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.35103E-02 ppm1      8.969 ppm2      7.433 CV     1
 ASSI {  281}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.35103E-02 ppm1      8.969 ppm2      7.433 CV     1
 ASSI {  283}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 48   and name HD2 ))
      3.200     1.300     1.300 peak   283 spectrum    1 weight  0.10000E+01 volume  0.10485E-02 ppm1      8.969 ppm2      3.732 CV     1
 ASSI {  283}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 48   and name HD2 ))
      3.200     1.300     1.300 peak   283 spectrum    1 weight  0.10000E+01 volume  0.10485E-02 ppm1      8.969 ppm2      3.732 CV     1
 ASSI {  284}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 47   and name HB3 ))
      3.400     1.400     1.400 peak   284 spectrum    1 weight  0.10000E+01 volume  0.82983E-03 ppm1      8.969 ppm2      3.191 CV     1
 ASSI {  284}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 47   and name HB3 ))
      3.400     1.400     1.400 peak   284 spectrum    1 weight  0.10000E+01 volume  0.82983E-03 ppm1      8.969 ppm2      3.191 CV     1
 ASSI {  286}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HB2 ))
      2.300     0.700     0.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.48863E-02 ppm1      8.969 ppm2      2.607 CV     1
 ASSI {  286}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 49   and name HB2 ))
      2.300     0.700     0.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.48863E-02 ppm1      8.969 ppm2      2.607 CV     1
 ASSI {  287}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 68   and name HA1 ))
      3.900     1.900     1.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.79290E-03 ppm1      7.270 ppm2      3.646 CV     1
 ASSI {  287}
   (( segid "B   " and resid 69   and name HN  ))
   (( segid "B   " and resid 68   and name HA1 ))
      3.900     1.900     1.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.79290E-03 ppm1      7.270 ppm2      3.646 CV     1
 ASSI {  289}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 38   and name HB3 ))
      4.200     2.200     1.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.63753E-03 ppm1      8.515 ppm2      2.347 CV     1
 ASSI {  289}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 38   and name HB3 ))
      4.200     2.200     1.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.63753E-03 ppm1      8.515 ppm2      2.347 CV     1
 ASSI {  290}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 38   and name HG2 ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.37163E-02 ppm1      8.515 ppm2      1.979 CV     1
 OR {  290}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 38   and name HB2 ))
 OR {  290}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 38   and name HG3 ))
 ASSI {  290}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 38   and name HG2 ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.37163E-02 ppm1      8.515 ppm2      1.979 CV     1
 OR {  290}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 38   and name HB2 ))
 OR {  290}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 38   and name HG3 ))
 ASSI {  291}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 40   and name HB  ))
      3.800     1.800     1.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.24912E-02 ppm1      8.515 ppm2      1.850 CV     1
 ASSI {  291}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 40   and name HB  ))
      3.800     1.800     1.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.24912E-02 ppm1      8.515 ppm2      1.850 CV     1
 ASSI {  292}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 40   and name HG13))
      3.800     1.800     1.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.13691E-02 ppm1      8.515 ppm2      1.720 CV     1
 ASSI {  292}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 40   and name HG13))
      3.800     1.800     1.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.13691E-02 ppm1      8.515 ppm2      1.720 CV     1
 ASSI {  293}
   (( segid "A   " and resid 39   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
      4.400     2.400     1.600 peak   293 spectrum    1 weight  0.10000E+01 volume  0.15146E-02 ppm1      8.515 ppm2      0.768 CV     1
 ASSI {  293}
   (( segid "B   " and resid 39   and name HN  ))
   (  segid "B   " and resid 40   and name HD1%)
      4.400     2.400     1.600 peak   293 spectrum    1 weight  0.10000E+01 volume  0.15146E-02 ppm1      8.515 ppm2      0.768 CV     1
 ASSI {  294}
   (( segid "A   " and resid 39   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      4.600     2.600     1.400 peak   294 spectrum    1 weight  0.10000E+01 volume  0.11914E-02 ppm1      8.515 ppm2      0.681 CV     1
 ASSI {  294}
   (( segid "B   " and resid 39   and name HN  ))
   (  segid "B   " and resid 40   and name HG2%)
      4.600     2.600     1.400 peak   294 spectrum    1 weight  0.10000E+01 volume  0.11914E-02 ppm1      8.515 ppm2      0.681 CV     1
 ASSI {  295}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 40   and name HN  ))
      2.300     0.700     0.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.55267E-02 ppm1      8.515 ppm2      7.736 CV     1
 ASSI {  295}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 40   and name HN  ))
      2.300     0.700     0.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.55267E-02 ppm1      8.515 ppm2      7.736 CV     1
 ASSI {  296}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 37   and name HA  ))
      3.400     1.400     1.400 peak   296 spectrum    1 weight  0.10000E+01 volume  0.14659E-02 ppm1      8.515 ppm2      5.269 CV     1
 ASSI {  296}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 37   and name HA  ))
      3.400     1.400     1.400 peak   296 spectrum    1 weight  0.10000E+01 volume  0.14659E-02 ppm1      8.515 ppm2      5.269 CV     1
 ASSI {  297}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.15829E-02 ppm1      8.515 ppm2      4.619 CV     1
 ASSI {  297}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.15829E-02 ppm1      8.515 ppm2      4.619 CV     1
 ASSI {  298}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      2.600     0.900     0.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.44547E-02 ppm1      8.515 ppm2      4.490 CV     1
 ASSI {  298}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 39   and name HA  ))
      2.600     0.900     0.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.44547E-02 ppm1      8.515 ppm2      4.490 CV     1
 ASSI {  299}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      5.200     3.300     0.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.35149E-03 ppm1      8.515 ppm2      4.295 CV     1
 ASSI {  299}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 40   and name HA  ))
      5.200     3.300     0.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.35149E-03 ppm1      8.515 ppm2      4.295 CV     1
 ASSI {  300}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 38   and name HD3 ))
      3.600     1.600     1.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.19229E-02 ppm1      8.515 ppm2      3.840 CV     1
 ASSI {  300}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 38   and name HD3 ))
      3.600     1.600     1.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.19229E-02 ppm1      8.515 ppm2      3.840 CV     1
 ASSI {  301}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 38   and name HD2 ))
      3.100     1.200     1.200 peak   301 spectrum    1 weight  0.10000E+01 volume  0.11238E-02 ppm1      8.515 ppm2      3.559 CV     1
 ASSI {  301}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 38   and name HD2 ))
      3.100     1.200     1.200 peak   301 spectrum    1 weight  0.10000E+01 volume  0.11238E-02 ppm1      8.515 ppm2      3.559 CV     1
 ASSI {  302}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 37   and name HB3 ))
      3.400     1.400     1.400 peak   302 spectrum    1 weight  0.10000E+01 volume  0.56393E-03 ppm1      8.515 ppm2      2.910 CV     1
 ASSI {  302}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 37   and name HB3 ))
      3.400     1.400     1.400 peak   302 spectrum    1 weight  0.10000E+01 volume  0.56393E-03 ppm1      8.515 ppm2      2.910 CV     1
 ASSI {  303}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 39   and name HB2 ))
      2.300     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.90080E-02 ppm1      8.515 ppm2      2.693 CV     1
 OR {  303}
   (( segid "A   " and resid 39   and name HN  ))
   (( segid "A   " and resid 39   and name HB3 ))
 ASSI {  303}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 39   and name HB2 ))
      2.300     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.90080E-02 ppm1      8.515 ppm2      2.693 CV     1
 OR {  303}
   (( segid "B   " and resid 39   and name HN  ))
   (( segid "B   " and resid 39   and name HB3 ))
 ASSI {  305}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 88   and name HB2 ))
      5.100     3.300     0.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.52028E-03 ppm1      8.742 ppm2      2.477 CV     1
 ASSI {  305}
   (( segid "B   " and resid 45   and name HN  ))
   (( segid "B   " and resid 88   and name HB2 ))
      5.100     3.300     0.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.52028E-03 ppm1      8.742 ppm2      2.477 CV     1
 ASSI {  308}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 42   and name HD2%)
      4.800     2.900     1.200 peak   308 spectrum    1 weight  0.10000E+01 volume  0.51143E-03 ppm1      8.742 ppm2      0.378 CV     1
 ASSI {  308}
   (( segid "B   " and resid 45   and name HN  ))
   (  segid "B   " and resid 42   and name HD2%)
      4.800     2.900     1.200 peak   308 spectrum    1 weight  0.10000E+01 volume  0.51143E-03 ppm1      8.742 ppm2      0.378 CV     1
 ASSI {  310}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.10504E-02 ppm1      8.742 ppm2      5.615 CV     1
 ASSI {  310}
   (( segid "B   " and resid 45   and name HN  ))
   (( segid "B   " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.10504E-02 ppm1      8.742 ppm2      5.615 CV     1
 ASSI {  311}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.32969E-02 ppm1      8.742 ppm2      5.139 CV     1
 ASSI {  311}
   (( segid "B   " and resid 45   and name HN  ))
   (( segid "B   " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.32969E-02 ppm1      8.742 ppm2      5.139 CV     1
 ASSI {  312}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 88   and name HB3 ))
      3.900     1.900     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.76124E-03 ppm1      8.742 ppm2      2.823 CV     1
 ASSI {  312}
   (( segid "B   " and resid 45   and name HN  ))
   (( segid "B   " and resid 88   and name HB3 ))
      3.900     1.900     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.76124E-03 ppm1      8.742 ppm2      2.823 CV     1
 ASSI {  313}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 45   and name HG2%)
      2.600     0.800     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.25439E-02 ppm1      8.753 ppm2      0.681 CV     1
 ASSI {  313}
   (( segid "B   " and resid 45   and name HN  ))
   (  segid "B   " and resid 45   and name HG2%)
      2.600     0.800     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.25439E-02 ppm1      8.753 ppm2      0.681 CV     1
 ASSI {  314}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.85837E-03 ppm1      8.958 ppm2      6.848 CV     1
 ASSI {  314}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.85837E-03 ppm1      8.958 ppm2      6.848 CV     1
 ASSI {  315}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 47   and name HA  ))
      4.300     2.300     1.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.49846E-03 ppm1      8.969 ppm2      5.031 CV     1
 ASSI {  315}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 47   and name HA  ))
      4.300     2.300     1.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.49846E-03 ppm1      8.969 ppm2      5.031 CV     1
 ASSI {  316}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak   316 spectrum    1 weight  0.10000E+01 volume  0.24480E-02 ppm1      8.969 ppm2      4.295 CV     1
 ASSI {  316}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak   316 spectrum    1 weight  0.10000E+01 volume  0.24480E-02 ppm1      8.969 ppm2      4.295 CV     1
 ASSI {  318}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 48   and name HD3 ))
      4.200     2.200     1.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.77324E-03 ppm1      8.969 ppm2      3.970 CV     1
 ASSI {  318}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 48   and name HD3 ))
      4.200     2.200     1.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.77324E-03 ppm1      8.969 ppm2      3.970 CV     1
 ASSI {  325}
   (( segid "A   " and resid 97   and name HN  ))
   (( segid "A   " and resid 97   and name HB3 ))
      3.000     1.100     1.100 peak   325 spectrum    1 weight  0.10000E+01 volume  0.73297E-02 ppm1      7.195 ppm2      1.936 CV     1
 ASSI {  325}
   (( segid "B   " and resid 97   and name HN  ))
   (( segid "B   " and resid 97   and name HB3 ))
      3.000     1.100     1.100 peak   325 spectrum    1 weight  0.10000E+01 volume  0.73297E-02 ppm1      7.195 ppm2      1.936 CV     1
 ASSI {  326}
   (( segid "A   " and resid 97   and name HN  ))
   (  segid "A   " and resid 96   and name HB% )
      2.600     0.900     0.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.42895E-02 ppm1      7.195 ppm2      1.438 CV     1
 ASSI {  326}
   (( segid "B   " and resid 97   and name HN  ))
   (  segid "B   " and resid 96   and name HB% )
      2.600     0.900     0.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.42895E-02 ppm1      7.195 ppm2      1.438 CV     1
 ASSI {  327}
   (( segid "A   " and resid 97   and name HN  ))
   (  segid "A   " and resid 95   and name HB% )
      4.600     2.600     1.400 peak   327 spectrum    1 weight  0.10000E+01 volume  0.36180E-03 ppm1      7.195 ppm2      1.157 CV     1
 ASSI {  327}
   (( segid "B   " and resid 97   and name HN  ))
   (  segid "B   " and resid 95   and name HB% )
      4.600     2.600     1.400 peak   327 spectrum    1 weight  0.10000E+01 volume  0.36180E-03 ppm1      7.195 ppm2      1.157 CV     1
 ASSI {  328}
   (( segid "A   " and resid 97   and name HN  ))
   (  segid "A   " and resid 97   and name HD1%)
      4.200     2.200     1.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.18738E-02 ppm1      7.195 ppm2      1.006 CV     1
 ASSI {  328}
   (( segid "B   " and resid 97   and name HN  ))
   (  segid "B   " and resid 97   and name HD1%)
      4.200     2.200     1.800 peak   328 spectrum    1 weight  0.10000E+01 volume  0.18738E-02 ppm1      7.195 ppm2      1.006 CV     1
 ASSI {  329}
   (( segid "A   " and resid 97   and name HN  ))
   (  segid "A   " and resid 97   and name HD2%)
      2.900     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.26446E-02 ppm1      7.195 ppm2      0.724 CV     1
 ASSI {  329}
   (( segid "B   " and resid 97   and name HN  ))
   (  segid "B   " and resid 97   and name HD2%)
      2.900     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.26446E-02 ppm1      7.195 ppm2      0.724 CV     1
 ASSI {  332}
   (( segid "A   " and resid 97   and name HN  ))
   (( segid "A   " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.25679E-02 ppm1      7.195 ppm2      8.861 CV     1
 ASSI {  332}
   (( segid "B   " and resid 97   and name HN  ))
   (( segid "B   " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.25679E-02 ppm1      7.195 ppm2      8.861 CV     1
 ASSI {  333}
   (( segid "A   " and resid 97   and name HN  ))
   (( segid "A   " and resid 97   and name HA  ))
      2.600     0.900     0.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.35484E-02 ppm1      7.195 ppm2      3.884 CV     1
 ASSI {  333}
   (( segid "B   " and resid 97   and name HN  ))
   (( segid "B   " and resid 97   and name HA  ))
      2.600     0.900     0.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.35484E-02 ppm1      7.195 ppm2      3.884 CV     1
 ASSI {  334}
   (( segid "A   " and resid 97   and name HN  ))
   (( segid "A   " and resid 97   and name HB2 ))
      2.500     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.25463E-02 ppm1      7.205 ppm2      1.698 CV     1
 ASSI {  334}
   (( segid "B   " and resid 97   and name HN  ))
   (( segid "B   " and resid 97   and name HB2 ))
      2.500     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.25463E-02 ppm1      7.205 ppm2      1.698 CV     1
 ASSI {  336}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      3.500     1.600     1.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.12945E-02 ppm1      7.260 ppm2      3.819 CV     1
 ASSI {  336}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 19   and name HA  ))
      3.500     1.600     1.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.12945E-02 ppm1      7.260 ppm2      3.819 CV     1
 ASSI {  338}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 73   and name HB3 ))
      2.700     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.78572E-02 ppm1      7.606 ppm2      1.806 CV     1
 ASSI {  338}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 73   and name HB3 ))
      2.700     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.78572E-02 ppm1      7.606 ppm2      1.806 CV     1
 ASSI {  341}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 73   and name HB2 ))
      2.500     0.800     0.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.26110E-02 ppm1      7.606 ppm2      1.135 CV     1
 ASSI {  341}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 73   and name HB2 ))
      2.500     0.800     0.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.26110E-02 ppm1      7.606 ppm2      1.135 CV     1
 ASSI {  342}
   (( segid "A   " and resid 73   and name HN  ))
   (  segid "A   " and resid 73   and name HD2%)
      3.400     1.400     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.20534E-02 ppm1      7.606 ppm2      0.811 CV     1
 ASSI {  342}
   (( segid "B   " and resid 73   and name HN  ))
   (  segid "B   " and resid 73   and name HD2%)
      3.400     1.400     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.20534E-02 ppm1      7.606 ppm2      0.811 CV     1
 ASSI {  343}
   (( segid "A   " and resid 73   and name HN  ))
   (  segid "A   " and resid 73   and name HD1%)
      4.100     2.100     1.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.18675E-02 ppm1      7.606 ppm2      0.659 CV     1
 ASSI {  343}
   (( segid "B   " and resid 73   and name HN  ))
   (  segid "B   " and resid 73   and name HD1%)
      4.100     2.100     1.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.18675E-02 ppm1      7.606 ppm2      0.659 CV     1
 ASSI {  344}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 74   and name HN  ))
      2.400     0.700     0.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.48289E-02 ppm1      7.606 ppm2      7.714 CV     1
 ASSI {  344}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 74   and name HN  ))
      2.400     0.700     0.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.48289E-02 ppm1      7.606 ppm2      7.714 CV     1
 ASSI {  347}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.32896E-02 ppm1      7.606 ppm2      4.035 CV     1
 ASSI {  347}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.32896E-02 ppm1      7.606 ppm2      4.035 CV     1
 ASSI {  348}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 74   and name HA  ))
      3.700     1.700     1.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      7.606 ppm2      3.473 CV     1
 ASSI {  348}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 74   and name HA  ))
      3.700     1.700     1.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      7.606 ppm2      3.473 CV     1
 ASSI {  352}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 19   and name HN  ))
      4.400     2.400     1.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.64281E-03 ppm1      7.260 ppm2      8.450 CV     1
 ASSI {  352}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 19   and name HN  ))
      4.400     2.400     1.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.64281E-03 ppm1      7.260 ppm2      8.450 CV     1
 ASSI {  353}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 19   and name HB2 ))
      4.000     2.000     2.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.12228E-02 ppm1      7.260 ppm2      1.828 CV     1
 OR {  353}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 19   and name HB3 ))
 ASSI {  353}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.000     2.000     2.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.12228E-02 ppm1      7.260 ppm2      1.828 CV     1
 OR {  353}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 19   and name HB3 ))
 ASSI {  354}
   (( segid "A   " and resid 21   and name HN  ))
   (  segid "A   " and resid 20   and name HB% )
      2.700     0.900     0.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.60087E-02 ppm1      7.260 ppm2      1.482 CV     1
 ASSI {  354}
   (( segid "B   " and resid 21   and name HN  ))
   (  segid "B   " and resid 20   and name HB% )
      2.700     0.900     0.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.60087E-02 ppm1      7.260 ppm2      1.482 CV     1
 ASSI {  355}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.65697E-02 ppm1      7.260 ppm2      7.671 CV     1
 ASSI {  355}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.65697E-02 ppm1      7.260 ppm2      7.671 CV     1
 ASSI {  356}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 20   and name HN  ))
      2.300     0.600     0.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.84732E-02 ppm1      7.260 ppm2      7.130 CV     1
 ASSI {  356}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 20   and name HN  ))
      2.300     0.600     0.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.84732E-02 ppm1      7.260 ppm2      7.130 CV     1
 ASSI {  357}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.43445E-02 ppm1      7.260 ppm2      4.987 CV     1
 ASSI {  357}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.43445E-02 ppm1      7.260 ppm2      4.987 CV     1
 ASSI {  358}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   358 spectrum    1 weight  0.10000E+01 volume  0.39920E-02 ppm1      7.260 ppm2      4.187 CV     1
 ASSI {  358}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   358 spectrum    1 weight  0.10000E+01 volume  0.39920E-02 ppm1      7.260 ppm2      4.187 CV     1
 ASSI {  359}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 21   and name HB3 ))
      2.600     0.800     0.800 peak   359 spectrum    1 weight  0.10000E+01 volume  0.44501E-02 ppm1      7.260 ppm2      2.910 CV     1
 ASSI {  359}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 21   and name HB3 ))
      2.600     0.800     0.800 peak   359 spectrum    1 weight  0.10000E+01 volume  0.44501E-02 ppm1      7.260 ppm2      2.910 CV     1
 ASSI {  362}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 76   and name HB3 ))
      4.200     2.200     1.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.63393E-03 ppm1      7.876 ppm2      2.131 CV     1
 ASSI {  362}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 76   and name HB3 ))
      4.200     2.200     1.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.63393E-03 ppm1      7.876 ppm2      2.131 CV     1
 ASSI {  364}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 76   and name HG3 ))
      4.300     2.300     1.700 peak   364 spectrum    1 weight  0.10000E+01 volume  0.10581E-02 ppm1      7.876 ppm2      1.460 CV     1
 ASSI {  364}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 76   and name HG3 ))
      4.200     2.300     1.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.10581E-02 ppm1      7.876 ppm2      1.460 CV     1
 ASSI {  368}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak   368 spectrum    1 weight  0.10000E+01 volume  0.87537E-03 ppm1      7.876 ppm2      8.947 CV     1
 ASSI {  368}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak   368 spectrum    1 weight  0.10000E+01 volume  0.87537E-03 ppm1      7.876 ppm2      8.947 CV     1
 ASSI {  369}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak   369 spectrum    1 weight  0.10000E+01 volume  0.23727E-02 ppm1      7.876 ppm2      4.684 CV     1
 ASSI {  369}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak   369 spectrum    1 weight  0.10000E+01 volume  0.23727E-02 ppm1      7.876 ppm2      4.684 CV     1
 ASSI {  371}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.39754E-02 ppm1      7.876 ppm2      4.078 CV     1
 ASSI {  371}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.39754E-02 ppm1      7.876 ppm2      4.078 CV     1
 ASSI {  372}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 78   and name HA1 ))
      4.600     2.700     1.400 peak   372 spectrum    1 weight  0.10000E+01 volume  0.67159E-03 ppm1      7.876 ppm2      3.797 CV     1
 ASSI {  372}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 78   and name HA1 ))
      4.600     2.700     1.400 peak   372 spectrum    1 weight  0.10000E+01 volume  0.67159E-03 ppm1      7.876 ppm2      3.797 CV     1
 ASSI {  373}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 77   and name HB2 ))
      2.900     1.100     1.100 peak   373 spectrum    1 weight  0.10000E+01 volume  0.18800E-02 ppm1      7.876 ppm2      3.646 CV     1
 OR {  373}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 77   and name HB3 ))
 ASSI {  373}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 77   and name HB2 ))
      2.900     1.100     1.100 peak   373 spectrum    1 weight  0.10000E+01 volume  0.18800E-02 ppm1      7.876 ppm2      3.646 CV     1
 OR {  373}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 77   and name HB3 ))
 ASSI {  374}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 74   and name HA  ))
      3.300     1.300     1.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.13086E-02 ppm1      7.876 ppm2      3.494 CV     1
 ASSI {  374}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 74   and name HA  ))
      3.300     1.300     1.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.13086E-02 ppm1      7.876 ppm2      3.494 CV     1
 ASSI {  376}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 38   and name HD2 ))
      4.200     2.200     1.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.12578E-02 ppm1      7.422 ppm2      3.559 CV     1
 ASSI {  376}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 38   and name HD2 ))
      4.200     2.200     1.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.12578E-02 ppm1      7.422 ppm2      3.559 CV     1
 ASSI {  378}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HG2 ))
      4.800     2.900     1.200 peak   378 spectrum    1 weight  0.10000E+01 volume  0.58096E-03 ppm1      7.433 ppm2      2.196 CV     1
 OR {  378}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HG3 ))
 ASSI {  378}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 36   and name HG2 ))
      4.800     2.900     1.200 peak   378 spectrum    1 weight  0.10000E+01 volume  0.58096E-03 ppm1      7.433 ppm2      2.196 CV     1
 OR {  378}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 36   and name HG3 ))
 ASSI {  379}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HB3 ))
      3.300     1.400     1.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.28699E-02 ppm1      7.433 ppm2      2.044 CV     1
 ASSI {  379}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 36   and name HB3 ))
      3.300     1.400     1.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.28699E-02 ppm1      7.433 ppm2      2.044 CV     1
 ASSI {  380}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HB2 ))
      2.800     1.000     1.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.50328E-02 ppm1      7.433 ppm2      1.936 CV     1
 ASSI {  380}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 36   and name HB2 ))
      2.800     1.000     1.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.50328E-02 ppm1      7.433 ppm2      1.936 CV     1
 ASSI {  382}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HD22))
      3.500     1.500     1.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.45124E-02 ppm1      7.433 ppm2      8.233 CV     1
 ASSI {  382}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 37   and name HD22))
      3.500     1.500     1.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.45124E-02 ppm1      7.433 ppm2      8.233 CV     1
 ASSI {  384}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 35   and name HN  ))
      3.400     1.500     1.500 peak   384 spectrum    1 weight  0.10000E+01 volume  0.16987E-02 ppm1      7.433 ppm2      8.039 CV     1
 ASSI {  384}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 35   and name HN  ))
      3.400     1.500     1.500 peak   384 spectrum    1 weight  0.10000E+01 volume  0.16987E-02 ppm1      7.433 ppm2      8.039 CV     1
 ASSI {  385}
   (( segid "A   " and resid 37   and name HN  ))
   (  segid "A   " and resid 33   and name HD1%)
      4.200     2.200     1.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.72409E-03 ppm1      7.433 ppm2      0.551 CV     1
 ASSI {  385}
   (( segid "B   " and resid 37   and name HN  ))
   (  segid "B   " and resid 33   and name HD1%)
      4.200     2.200     1.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.72409E-03 ppm1      7.433 ppm2      0.551 CV     1
 ASSI {  388}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.36901E-02 ppm1      7.433 ppm2      5.269 CV     1
 ASSI {  388}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.36901E-02 ppm1      7.433 ppm2      5.269 CV     1
 ASSI {  389}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.47642E-03 ppm1      7.433 ppm2      4.619 CV     1
 ASSI {  389}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.47642E-03 ppm1      7.433 ppm2      4.619 CV     1
 ASSI {  390}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
      3.000     1.100     1.100 peak   390 spectrum    1 weight  0.10000E+01 volume  0.23742E-02 ppm1      7.433 ppm2      4.143 CV     1
 ASSI {  390}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 36   and name HA  ))
      3.000     1.100     1.100 peak   390 spectrum    1 weight  0.10000E+01 volume  0.23742E-02 ppm1      7.433 ppm2      4.143 CV     1
 ASSI {  392}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HB3 ))
      3.200     1.200     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.40521E-02 ppm1      7.433 ppm2      2.888 CV     1
 ASSI {  392}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 37   and name HB3 ))
      3.200     1.200     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.40521E-02 ppm1      7.433 ppm2      2.888 CV     1
 ASSI {  393}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.30164E-02 ppm1      7.433 ppm2      2.607 CV     1
 ASSI {  393}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 37   and name HB2 ))
      2.600     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.30164E-02 ppm1      7.433 ppm2      2.607 CV     1
 ASSI {  394}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 37   and name HB3 ))
      3.500     1.500     1.500 peak   394 spectrum    1 weight  0.10000E+01 volume  0.22061E-02 ppm1      7.476 ppm2      2.888 CV     1
 ASSI {  394}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 37   and name HB3 ))
      3.500     1.500     1.500 peak   394 spectrum    1 weight  0.10000E+01 volume  0.22061E-02 ppm1      7.476 ppm2      2.888 CV     1
 ASSI {  395}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 37   and name HB2 ))
      2.600     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.15525E-02 ppm1      7.476 ppm2      2.629 CV     1
 ASSI {  395}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 37   and name HB2 ))
      2.600     0.900     0.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.15525E-02 ppm1      7.476 ppm2      2.629 CV     1
 ASSI {  397}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 33   and name HG  ))
      4.400     2.500     1.600 peak   397 spectrum    1 weight  0.10000E+01 volume  0.73273E-03 ppm1      7.487 ppm2      1.200 CV     1
 ASSI {  397}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 33   and name HG  ))
      4.400     2.500     1.600 peak   397 spectrum    1 weight  0.10000E+01 volume  0.73273E-03 ppm1      7.487 ppm2      1.200 CV     1
 ASSI {  398}
   (( segid "A   " and resid 37   and name HD21))
   (  segid "A   " and resid 33   and name HD1%)
      3.900     1.900     1.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.16031E-02 ppm1      7.487 ppm2      0.551 CV     1
 ASSI {  398}
   (( segid "B   " and resid 37   and name HD21))
   (  segid "B   " and resid 33   and name HD1%)
      3.900     1.900     1.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.16031E-02 ppm1      7.487 ppm2      0.551 CV     1
 ASSI {  399}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.18366E-02 ppm1      7.487 ppm2      3.884 CV     1
 ASSI {  399}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.18366E-02 ppm1      7.487 ppm2      3.884 CV     1
 ASSI {  400}
   (( segid "A   " and resid 37   and name HD22))
   (  segid "A   " and resid 40   and name HD1%)
      4.100     2.100     1.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.75166E-03 ppm1      8.233 ppm2      0.789 CV     1
 ASSI {  400}
   (( segid "B   " and resid 37   and name HD22))
   (  segid "B   " and resid 40   and name HD1%)
      4.100     2.100     1.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.75166E-03 ppm1      8.233 ppm2      0.789 CV     1
 ASSI {  401}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 33   and name HA  ))
      4.100     2.100     1.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.14175E-02 ppm1      8.233 ppm2      3.884 CV     1
 ASSI {  401}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 33   and name HA  ))
      4.100     2.100     1.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.14175E-02 ppm1      8.233 ppm2      3.884 CV     1
 ASSI {  402}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 37   and name HB3 ))
      4.200     2.200     1.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.12504E-02 ppm1      8.233 ppm2      2.910 CV     1
 ASSI {  402}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 37   and name HB3 ))
      4.200     2.200     1.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.12504E-02 ppm1      8.233 ppm2      2.910 CV     1
 ASSI {  403}
   (( segid "A   " and resid 37   and name HD22))
   (( segid "A   " and resid 37   and name HB2 ))
      4.400     2.400     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.80178E-03 ppm1      8.233 ppm2      2.629 CV     1
 ASSI {  403}
   (( segid "B   " and resid 37   and name HD22))
   (( segid "B   " and resid 37   and name HB2 ))
      4.400     2.400     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.80178E-03 ppm1      8.233 ppm2      2.629 CV     1
 ASSI {  404}
   (( segid "A   " and resid 37   and name HD22))
   (  segid "A   " and resid 33   and name HD1%)
      4.700     2.700     1.300 peak   404 spectrum    1 weight  0.10000E+01 volume  0.11768E-02 ppm1      8.244 ppm2      0.551 CV     1
 ASSI {  404}
   (( segid "B   " and resid 37   and name HD22))
   (  segid "B   " and resid 33   and name HD1%)
      4.700     2.700     1.300 peak   404 spectrum    1 weight  0.10000E+01 volume  0.11768E-02 ppm1      8.244 ppm2      0.551 CV     1
 ASSI {  405}
   (( segid "A   " and resid 37   and name HD21))
   (( segid "A   " and resid 37   and name HD22))
      2.000     0.500     0.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.84302E-02 ppm1      7.487 ppm2      8.233 CV     1
 ASSI {  405}
   (( segid "B   " and resid 37   and name HD21))
   (( segid "B   " and resid 37   and name HD22))
      2.000     0.500     0.500 peak   405 spectrum    1 weight  0.10000E+01 volume  0.84302E-02 ppm1      7.487 ppm2      8.233 CV     1
 ASSI {  408}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   408 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      7.682 ppm2      7.130 CV     1
 ASSI {  408}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   408 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      7.682 ppm2      7.130 CV     1
 ASSI {  410}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 24   and name HN  ))
      4.300     2.300     1.700 peak   410 spectrum    1 weight  0.10000E+01 volume  0.45771E-03 ppm1      7.682 ppm2      8.839 CV     1
 ASSI {  410}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 24   and name HN  ))
      4.300     2.300     1.700 peak   410 spectrum    1 weight  0.10000E+01 volume  0.45771E-03 ppm1      7.682 ppm2      8.839 CV     1
 ASSI {  412}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HB3 ))
      2.800     1.000     1.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.34263E-02 ppm1      7.692 ppm2      1.979 CV     1
 ASSI {  412}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HB3 ))
      2.800     1.000     1.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.34263E-02 ppm1      7.692 ppm2      1.979 CV     1
 ASSI {  413}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HB2 ))
      3.400     1.400     1.400 peak   413 spectrum    1 weight  0.10000E+01 volume  0.30738E-02 ppm1      7.692 ppm2      1.893 CV     1
 ASSI {  413}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.400     1.400     1.400 peak   413 spectrum    1 weight  0.10000E+01 volume  0.30738E-02 ppm1      7.692 ppm2      1.893 CV     1
 ASSI {  414}
   (( segid "A   " and resid 22   and name HN  ))
   (  segid "A   " and resid 20   and name HB% )
      4.100     2.100     1.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.94084E-03 ppm1      7.692 ppm2      1.482 CV     1
 ASSI {  414}
   (( segid "B   " and resid 22   and name HN  ))
   (  segid "B   " and resid 20   and name HB% )
      4.100     2.100     1.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.94084E-03 ppm1      7.692 ppm2      1.482 CV     1
 ASSI {  418}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.40255E-02 ppm1      7.692 ppm2      4.987 CV     1
 ASSI {  418}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.40255E-02 ppm1      7.692 ppm2      4.987 CV     1
 ASSI {  419}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.34837E-02 ppm1      7.692 ppm2      4.814 CV     1
 ASSI {  419}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.34837E-02 ppm1      7.692 ppm2      4.814 CV     1
 ASSI {  420}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      3.400     1.400     1.400 peak   420 spectrum    1 weight  0.10000E+01 volume  0.11686E-02 ppm1      7.692 ppm2      4.187 CV     1
 ASSI {  420}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 20   and name HA  ))
      3.400     1.400     1.400 peak   420 spectrum    1 weight  0.10000E+01 volume  0.11686E-02 ppm1      7.692 ppm2      4.187 CV     1
 ASSI {  423}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HG2 ))
      2.900     1.100     1.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.15578E-02 ppm1      7.692 ppm2      2.520 CV     1
 OR {  423}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HG3 ))
 ASSI {  423}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HG2 ))
      2.900     1.100     1.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.15578E-02 ppm1      7.692 ppm2      2.520 CV     1
 OR {  423}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HG3 ))
 ASSI {  426}
   (( segid "A   " and resid 115  and name HN  ))
   (( segid "A   " and resid 114  and name HN  ))
      3.600     1.600     1.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.41311E-03 ppm1      8.536 ppm2      9.965 CV     1
 ASSI {  426}
   (( segid "B   " and resid 115  and name HN  ))
   (( segid "B   " and resid 114  and name HN  ))
      3.600     1.600     1.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.41311E-03 ppm1      8.536 ppm2      9.965 CV     1
 ASSI {  428}
   (( segid "A   " and resid 115  and name HN  ))
   (( segid "A   " and resid 114  and name HG2 ))
      3.900     1.900     1.900 peak   428 spectrum    1 weight  0.10000E+01 volume  0.99527E-03 ppm1      8.547 ppm2      2.088 CV     1
 ASSI {  428}
   (( segid "B   " and resid 115  and name HN  ))
   (( segid "B   " and resid 114  and name HG2 ))
      3.900     1.900     1.900 peak   428 spectrum    1 weight  0.10000E+01 volume  0.99527E-03 ppm1      8.547 ppm2      2.088 CV     1
 ASSI {  432}
   (( segid "A   " and resid 115  and name HN  ))
   (( segid "A   " and resid 114  and name HA  ))
      2.600     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.50160E-02 ppm1      8.547 ppm2      3.840 CV     1
 ASSI {  432}
   (( segid "B   " and resid 115  and name HN  ))
   (( segid "B   " and resid 114  and name HA  ))
      2.600     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.50160E-02 ppm1      8.547 ppm2      3.840 CV     1
 ASSI {  436}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 35   and name HG3 ))
      2.200     0.600     0.600 peak   436 spectrum    1 weight  0.10000E+01 volume  0.84543E-02 ppm1      8.039 ppm2      1.958 CV     1
 ASSI {  436}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 35   and name HG3 ))
      2.200     0.600     0.600 peak   436 spectrum    1 weight  0.10000E+01 volume  0.84543E-02 ppm1      8.039 ppm2      1.958 CV     1
 ASSI {  438}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 34   and name HB2 ))
      2.600     0.800     0.800 peak   438 spectrum    1 weight  0.10000E+01 volume  0.21778E-02 ppm1      8.039 ppm2      1.633 CV     1
 ASSI {  438}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HB2 ))
      2.600     0.800     0.800 peak   438 spectrum    1 weight  0.10000E+01 volume  0.21778E-02 ppm1      8.039 ppm2      1.633 CV     1
 ASSI {  443}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.76005E-03 ppm1      8.039 ppm2      7.671 CV     1
 ASSI {  443}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.76005E-03 ppm1      8.039 ppm2      7.671 CV     1
 ASSI {  445}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
      4.400     2.500     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.92454E-03 ppm1      8.039 ppm2      4.143 CV     1
 ASSI {  445}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 36   and name HA  ))
      4.400     2.500     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.92454E-03 ppm1      8.039 ppm2      4.143 CV     1
 ASSI {  448}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HB2 ))
      2.200     0.600     0.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.10617E-01 ppm1      6.913 ppm2      1.806 CV     1
 OR {  448}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HB3 ))
 ASSI {  448}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 52   and name HB2 ))
      2.200     0.600     0.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.10617E-01 ppm1      6.913 ppm2      1.806 CV     1
 OR {  448}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 52   and name HB3 ))
 ASSI {  449}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HD2 ))
      4.600     2.700     1.400 peak   449 spectrum    1 weight  0.10000E+01 volume  0.12027E-02 ppm1      6.913 ppm2      1.633 CV     1
 OR {  449}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HD3 ))
 ASSI {  449}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 52   and name HD2 ))
      4.600     2.700     1.400 peak   449 spectrum    1 weight  0.10000E+01 volume  0.12027E-02 ppm1      6.913 ppm2      1.633 CV     1
 OR {  449}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 52   and name HD3 ))
 ASSI {  452}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 51   and name HD1%)
      4.400     2.400     1.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.97729E-03 ppm1      6.913 ppm2      0.335 CV     1
 ASSI {  452}
   (( segid "B   " and resid 52   and name HN  ))
   (  segid "B   " and resid 51   and name HD1%)
      4.400     2.400     1.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.97729E-03 ppm1      6.913 ppm2      0.335 CV     1
 ASSI {  453}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.43637E-02 ppm1      6.913 ppm2      7.541 CV     1
 ASSI {  453}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.43637E-02 ppm1      6.913 ppm2      7.541 CV     1
 ASSI {  454}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   454 spectrum    1 weight  0.10000E+01 volume  0.20404E-02 ppm1      6.913 ppm2      4.295 CV     1
 ASSI {  454}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   454 spectrum    1 weight  0.10000E+01 volume  0.20404E-02 ppm1      6.913 ppm2      4.295 CV     1
 ASSI {  456}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HA  ))
      2.600     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.46730E-02 ppm1      6.913 ppm2      4.014 CV     1
 ASSI {  456}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 52   and name HA  ))
      2.600     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.46730E-02 ppm1      6.913 ppm2      4.014 CV     1
 ASSI {  457}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 51   and name HA  ))
      3.300     1.400     1.400 peak   457 spectrum    1 weight  0.10000E+01 volume  0.12513E-02 ppm1      6.913 ppm2      3.797 CV     1
 ASSI {  457}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 51   and name HA  ))
      3.300     1.400     1.400 peak   457 spectrum    1 weight  0.10000E+01 volume  0.12513E-02 ppm1      6.913 ppm2      3.797 CV     1
 ASSI {  459}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 54   and name HN  ))
      4.000     2.000     2.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.75862E-03 ppm1      6.924 ppm2      8.298 CV     1
 ASSI {  459}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 54   and name HN  ))
      4.000     2.000     2.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.75862E-03 ppm1      6.924 ppm2      8.298 CV     1
 ASSI {  460}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 51   and name HD2%)
      4.400     2.500     1.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.98401E-03 ppm1      6.924 ppm2      0.248 CV     1
 ASSI {  460}
   (( segid "B   " and resid 52   and name HN  ))
   (  segid "B   " and resid 51   and name HD2%)
      4.400     2.500     1.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.98401E-03 ppm1      6.924 ppm2      0.248 CV     1
 ASSI {  461}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 50   and name HN  ))
      3.800     1.800     1.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.88761E-03 ppm1      6.924 ppm2      7.433 CV     1
 ASSI {  461}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 50   and name HN  ))
      3.700     1.800     1.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.88761E-03 ppm1      6.924 ppm2      7.433 CV     1
 ASSI {  464}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.41024E-02 ppm1      7.130 ppm2      8.450 CV     1
 ASSI {  464}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.41024E-02 ppm1      7.130 ppm2      8.450 CV     1
 ASSI {  465}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HB3 ))
      3.100     1.200     1.200 peak   465 spectrum    1 weight  0.10000E+01 volume  0.44404E-02 ppm1      7.130 ppm2      1.828 CV     1
 OR {  465}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HB2 ))
 ASSI {  465}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 19   and name HB3 ))
      3.100     1.200     1.200 peak   465 spectrum    1 weight  0.10000E+01 volume  0.44404E-02 ppm1      7.130 ppm2      1.828 CV     1
 OR {  465}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
 ASSI {  473}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      4.900     3.000     1.100 peak   473 spectrum    1 weight  0.10000E+01 volume  0.47737E-03 ppm1      7.130 ppm2      4.987 CV     1
 ASSI {  473}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
      4.900     3.000     1.100 peak   473 spectrum    1 weight  0.10000E+01 volume  0.47737E-03 ppm1      7.130 ppm2      4.987 CV     1
 ASSI {  474}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.69027E-02 ppm1      7.130 ppm2      4.187 CV     1
 ASSI {  474}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.69027E-02 ppm1      7.130 ppm2      4.187 CV     1
 ASSI {  476}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      3.100     1.200     1.200 peak   476 spectrum    1 weight  0.10000E+01 volume  0.17256E-02 ppm1      7.130 ppm2      3.797 CV     1
 ASSI {  476}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 19   and name HA  ))
      3.100     1.200     1.200 peak   476 spectrum    1 weight  0.10000E+01 volume  0.17256E-02 ppm1      7.130 ppm2      3.797 CV     1
 ASSI {  478}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 19   and name HB3 ))
      2.400     0.700     0.700 peak   478 spectrum    1 weight  0.10000E+01 volume  0.69174E-02 ppm1      8.461 ppm2      1.828 CV     1
 OR {  478}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 19   and name HB2 ))
 ASSI {  478}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 19   and name HB3 ))
      2.400     0.700     0.700 peak   478 spectrum    1 weight  0.10000E+01 volume  0.69174E-02 ppm1      8.461 ppm2      1.828 CV     1
 OR {  478}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
 ASSI {  481}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 18   and name HB% )
      2.500     0.800     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.66247E-02 ppm1      8.461 ppm2      1.417 CV     1
 ASSI {  481}
   (( segid "B   " and resid 19   and name HN  ))
   (  segid "B   " and resid 18   and name HB% )
      2.500     0.800     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.66247E-02 ppm1      8.461 ppm2      1.417 CV     1
 ASSI {  484}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 15   and name HG1%)
      3.700     1.700     1.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.84854E-03 ppm1      8.461 ppm2      0.768 CV     1
 ASSI {  484}
   (( segid "B   " and resid 19   and name HN  ))
   (  segid "B   " and resid 15   and name HG1%)
      3.700     1.700     1.700 peak   484 spectrum    1 weight  0.10000E+01 volume  0.84854E-03 ppm1      8.461 ppm2      0.768 CV     1
 ASSI {  488}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 18   and name HA  ))
      3.200     1.300     1.300 peak   488 spectrum    1 weight  0.10000E+01 volume  0.18522E-02 ppm1      8.461 ppm2      4.122 CV     1
 ASSI {  488}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 18   and name HA  ))
      3.200     1.300     1.300 peak   488 spectrum    1 weight  0.10000E+01 volume  0.18522E-02 ppm1      8.461 ppm2      4.122 CV     1
 ASSI {  489}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.36971E-02 ppm1      8.461 ppm2      3.797 CV     1
 ASSI {  489}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.36971E-02 ppm1      8.461 ppm2      3.797 CV     1
 ASSI {  490}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      4.700     2.700     1.300 peak   490 spectrum    1 weight  0.10000E+01 volume  0.33399E-03 ppm1      8.461 ppm2      3.256 CV     1
 ASSI {  490}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 15   and name HA  ))
      4.600     2.700     1.400 peak   490 spectrum    1 weight  0.10000E+01 volume  0.33399E-03 ppm1      8.461 ppm2      3.256 CV     1
 ASSI {  491}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HG3 ))
      4.400     2.400     1.600 peak   491 spectrum    1 weight  0.10000E+01 volume  0.13381E-02 ppm1      7.649 ppm2      2.174 CV     1
 ASSI {  491}
   (( segid "B   " and resid 66   and name HN  ))
   (( segid "B   " and resid 65   and name HG3 ))
      4.400     2.400     1.600 peak   491 spectrum    1 weight  0.10000E+01 volume  0.13381E-02 ppm1      7.649 ppm2      2.174 CV     1
 ASSI {  494}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HB2 ))
      3.900     1.900     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.13074E-02 ppm1      7.649 ppm2      1.352 CV     1
 ASSI {  494}
   (( segid "B   " and resid 66   and name HN  ))
   (( segid "B   " and resid 65   and name HB2 ))
      3.900     1.900     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.13074E-02 ppm1      7.649 ppm2      1.352 CV     1
 ASSI {  496}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.13094E-02 ppm1      7.649 ppm2      7.974 CV     1
 ASSI {  496}
   (( segid "B   " and resid 66   and name HN  ))
   (( segid "B   " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak   496 spectrum    1 weight  0.10000E+01 volume  0.13094E-02 ppm1      7.649 ppm2      7.974 CV     1
 ASSI {  498}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 66   and name HB2 ))
      2.800     1.000     1.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.27933E-02 ppm1      7.649 ppm2      4.187 CV     1
 OR {  498}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 66   and name HB3 ))
 ASSI {  498}
   (( segid "B   " and resid 66   and name HN  ))
   (( segid "B   " and resid 66   and name HB2 ))
      2.800     1.000     1.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.27933E-02 ppm1      7.649 ppm2      4.187 CV     1
 OR {  498}
   (( segid "B   " and resid 66   and name HN  ))
   (( segid "B   " and resid 66   and name HB3 ))
 ASSI {  501}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 64   and name HD2 ))
      4.700     2.700     1.300 peak   501 spectrum    1 weight  0.10000E+01 volume  0.31025E-03 ppm1      7.660 ppm2      7.000 CV     1
 ASSI {  501}
   (( segid "B   " and resid 66   and name HN  ))
   (( segid "B   " and resid 64   and name HD2 ))
      4.700     2.700     1.300 peak   501 spectrum    1 weight  0.10000E+01 volume  0.31025E-03 ppm1      7.660 ppm2      7.000 CV     1
 ASSI {  506}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 83   and name HA  ))
      4.700     2.700     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.47233E-03 ppm1      8.309 ppm2      4.879 CV     1
 ASSI {  506}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 83   and name HA  ))
      4.700     2.700     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.47233E-03 ppm1      8.309 ppm2      4.879 CV     1
 ASSI {  507}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 82   and name HG3 ))
      2.700     0.900     0.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.23526E-02 ppm1      8.320 ppm2      2.347 CV     1
 ASSI {  507}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 82   and name HG3 ))
      2.700     0.900     0.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.23526E-02 ppm1      8.320 ppm2      2.347 CV     1
 ASSI {  508}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 82   and name HB3 ))
      3.000     1.100     1.100 peak   508 spectrum    1 weight  0.10000E+01 volume  0.72769E-02 ppm1      8.320 ppm2      2.131 CV     1
 OR {  508}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 82   and name HG2 ))
 ASSI {  508}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 82   and name HB3 ))
      3.000     1.100     1.100 peak   508 spectrum    1 weight  0.10000E+01 volume  0.72769E-02 ppm1      8.320 ppm2      2.131 CV     1
 OR {  508}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 82   and name HG2 ))
 ASSI {  509}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 82   and name HB2 ))
      2.400     0.700     0.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.66918E-02 ppm1      8.320 ppm2      1.914 CV     1
 ASSI {  509}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 82   and name HB2 ))
      2.400     0.700     0.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.66918E-02 ppm1      8.320 ppm2      1.914 CV     1
 ASSI {  511}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 83   and name HG3 ))
      4.700     2.800     1.300 peak   511 spectrum    1 weight  0.10000E+01 volume  0.57880E-03 ppm1      8.320 ppm2      1.525 CV     1
 ASSI {  511}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 83   and name HG3 ))
      4.700     2.800     1.300 peak   511 spectrum    1 weight  0.10000E+01 volume  0.57880E-03 ppm1      8.320 ppm2      1.525 CV     1
 ASSI {  512}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 83   and name HG2 ))
      4.100     2.100     1.900 peak   512 spectrum    1 weight  0.10000E+01 volume  0.65001E-03 ppm1      8.320 ppm2      1.373 CV     1
 ASSI {  512}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 83   and name HG2 ))
      4.000     2.000     2.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.65001E-03 ppm1      8.320 ppm2      1.373 CV     1
 ASSI {  513}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 81   and name HB2 ))
      4.300     2.300     1.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.32920E-03 ppm1      8.320 ppm2      0.897 CV     1
 ASSI {  513}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 81   and name HB2 ))
      4.300     2.300     1.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.32920E-03 ppm1      8.320 ppm2      0.897 CV     1
 ASSI {  515}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.88306E-03 ppm1      8.320 ppm2      5.009 CV     1
 ASSI {  515}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.88306E-03 ppm1      8.320 ppm2      5.009 CV     1
 ASSI {  517}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 81   and name HD2 ))
      3.200     1.300     1.300 peak   517 spectrum    1 weight  0.10000E+01 volume  0.84207E-03 ppm1      8.320 ppm2      3.689 CV     1
 ASSI {  517}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 81   and name HD2 ))
      3.200     1.300     1.300 peak   517 spectrum    1 weight  0.10000E+01 volume  0.84207E-03 ppm1      8.320 ppm2      3.689 CV     1
 ASSI {  518}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 81   and name HA  ))
      3.400     1.400     1.400 peak   518 spectrum    1 weight  0.10000E+01 volume  0.88282E-03 ppm1      8.320 ppm2      3.559 CV     1
 ASSI {  518}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 81   and name HA  ))
      3.400     1.400     1.400 peak   518 spectrum    1 weight  0.10000E+01 volume  0.88282E-03 ppm1      8.320 ppm2      3.559 CV     1
 ASSI {  519}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 80   and name HB3 ))
      3.400     1.400     1.400 peak   519 spectrum    1 weight  0.10000E+01 volume  0.52150E-03 ppm1      8.331 ppm2      2.910 CV     1
 ASSI {  519}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 80   and name HB3 ))
      3.400     1.400     1.400 peak   519 spectrum    1 weight  0.10000E+01 volume  0.52150E-03 ppm1      8.331 ppm2      2.910 CV     1
 ASSI {  521}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 25   and name HB3 ))
      4.100     2.100     1.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.12849E-02 ppm1      8.774 ppm2      1.806 CV     1
 ASSI {  521}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 25   and name HB3 ))
      4.100     2.100     1.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.12849E-02 ppm1      8.774 ppm2      1.806 CV     1
 ASSI {  522}
   (( segid "A   " and resid 34   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      4.100     2.100     1.900 peak   522 spectrum    1 weight  0.10000E+01 volume  0.10554E-02 ppm1      7.974 ppm2      0.681 CV     1
 ASSI {  522}
   (( segid "B   " and resid 34   and name HN  ))
   (  segid "B   " and resid 40   and name HG2%)
      4.100     2.100     1.900 peak   522 spectrum    1 weight  0.10000E+01 volume  0.10554E-02 ppm1      7.974 ppm2      0.681 CV     1
 ASSI {  526}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 34   and name HB2 ))
      2.300     0.700     0.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.34120E-02 ppm1      7.985 ppm2      1.633 CV     1
 ASSI {  526}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HB2 ))
      2.300     0.700     0.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.34120E-02 ppm1      7.985 ppm2      1.633 CV     1
 ASSI {  527}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 33   and name HB2 ))
      3.300     1.300     1.300 peak   527 spectrum    1 weight  0.10000E+01 volume  0.12957E-02 ppm1      7.985 ppm2      1.438 CV     1
 ASSI {  527}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 33   and name HB2 ))
      3.300     1.300     1.300 peak   527 spectrum    1 weight  0.10000E+01 volume  0.12957E-02 ppm1      7.985 ppm2      1.438 CV     1
 ASSI {  528}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 33   and name HG  ))
      3.700     1.700     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.57782E-03 ppm1      7.985 ppm2      1.222 CV     1
 ASSI {  528}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 33   and name HG  ))
      3.700     1.700     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.57782E-03 ppm1      7.985 ppm2      1.222 CV     1
 ASSI {  529}
   (( segid "A   " and resid 34   and name HN  ))
   (  segid "A   " and resid 34   and name HD1%)
      3.700     1.700     1.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.20955E-02 ppm1      7.985 ppm2      0.941 CV     1
 ASSI {  529}
   (( segid "B   " and resid 34   and name HN  ))
   (  segid "B   " and resid 34   and name HD1%)
      3.700     1.700     1.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.20955E-02 ppm1      7.985 ppm2      0.941 CV     1
 ASSI {  532}
   (( segid "A   " and resid 34   and name HN  ))
   (  segid "A   " and resid 33   and name HD2%)
      4.800     2.800     1.200 peak   532 spectrum    1 weight  0.10000E+01 volume  0.79842E-03 ppm1      7.985 ppm2      0.053 CV     1
 ASSI {  532}
   (( segid "B   " and resid 34   and name HN  ))
   (  segid "B   " and resid 33   and name HD2%)
      4.800     2.800     1.200 peak   532 spectrum    1 weight  0.10000E+01 volume  0.79842E-03 ppm1      7.985 ppm2      0.053 CV     1
 ASSI {  533}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.33974E-02 ppm1      7.985 ppm2      7.844 CV     1
 ASSI {  533}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.33974E-02 ppm1      7.985 ppm2      7.844 CV     1
 ASSI {  534}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      3.600     1.600     1.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.14079E-02 ppm1      7.985 ppm2      3.949 CV     1
 ASSI {  534}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
      3.600     1.600     1.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.14079E-02 ppm1      7.985 ppm2      3.949 CV     1
 ASSI {  537}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 7    and name HA  ))
      3.200     1.300     1.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.14738E-02 ppm1      8.396 ppm2      4.966 CV     1
 ASSI {  537}
   (( segid "B   " and resid 10   and name HN  ))
   (( segid "B   " and resid 7    and name HA  ))
      3.200     1.300     1.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.14738E-02 ppm1      8.396 ppm2      4.966 CV     1
 ASSI {  538}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 10   and name HB  ))
      2.700     0.900     0.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.46082E-02 ppm1      8.396 ppm2      4.295 CV     1
 ASSI {  538}
   (( segid "B   " and resid 10   and name HN  ))
   (( segid "B   " and resid 10   and name HB  ))
      2.700     0.900     0.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.46082E-02 ppm1      8.396 ppm2      4.295 CV     1
 ASSI {  539}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 9    and name HA  ))
      3.200     1.300     1.300 peak   539 spectrum    1 weight  0.10000E+01 volume  0.20011E-02 ppm1      8.396 ppm2      4.122 CV     1
 ASSI {  539}
   (( segid "B   " and resid 10   and name HN  ))
   (( segid "B   " and resid 9    and name HA  ))
      3.200     1.300     1.300 peak   539 spectrum    1 weight  0.10000E+01 volume  0.20011E-02 ppm1      8.396 ppm2      4.122 CV     1
 ASSI {  541}
   (( segid "A   " and resid 10   and name HN  ))
   (  segid "A   " and resid 9    and name HB% )
      2.600     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.55890E-02 ppm1      8.406 ppm2      1.611 CV     1
 ASSI {  541}
   (( segid "B   " and resid 10   and name HN  ))
   (  segid "B   " and resid 9    and name HB% )
      2.600     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.55890E-02 ppm1      8.406 ppm2      1.611 CV     1
 ASSI {  542}
   (( segid "A   " and resid 10   and name HN  ))
   (  segid "A   " and resid 10   and name HG2%)
      3.900     1.900     1.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.23485E-02 ppm1      8.406 ppm2      0.486 CV     1
 ASSI {  542}
   (( segid "B   " and resid 10   and name HN  ))
   (  segid "B   " and resid 10   and name HG2%)
      3.900     1.900     1.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.23485E-02 ppm1      8.406 ppm2      0.486 CV     1
 ASSI {  543}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.34623E-02 ppm1      8.406 ppm2      3.884 CV     1
 ASSI {  543}
   (( segid "B   " and resid 10   and name HN  ))
   (( segid "B   " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.34623E-02 ppm1      8.406 ppm2      3.884 CV     1
 ASSI {  545}
   (( segid "A   " and resid 31   and name HN  ))
   (  segid "A   " and resid 125  and name HD2%)
      4.500     2.500     1.500 peak   545 spectrum    1 weight  0.10000E+01 volume  0.49657E-03 ppm1      8.774 ppm2      0.118 CV     1
 ASSI {  545}
   (( segid "B   " and resid 31   and name HN  ))
   (  segid "B   " and resid 125  and name HD2%)
      4.500     2.500     1.500 peak   545 spectrum    1 weight  0.10000E+01 volume  0.49657E-03 ppm1      8.774 ppm2      0.118 CV     1
 ASSI {  546}
   (( segid "A   " and resid 31   and name HN  ))
   (  segid "A   " and resid 125  and name HD1%)
      3.700     1.700     1.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.10811E-02 ppm1      8.774 ppm2     -0.206 CV     1
 ASSI {  546}
   (( segid "B   " and resid 31   and name HN  ))
   (  segid "B   " and resid 125  and name HD1%)
      3.700     1.700     1.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.10811E-02 ppm1      8.774 ppm2     -0.206 CV     1
 ASSI {  547}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.27286E-02 ppm1      8.774 ppm2      7.671 CV     1
 ASSI {  547}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.27286E-02 ppm1      8.774 ppm2      7.671 CV     1
 ASSI {  548}
   (( segid "A   " and resid 31   and name HN  ))
   (  segid "A   " and resid 31   and name HD% )
      3.700     1.700     1.700 peak   548 spectrum    1 weight  0.10000E+01 volume  0.30042E-02 ppm1      8.774 ppm2      7.086 CV     1
 ASSI {  548}
   (( segid "B   " and resid 31   and name HN  ))
   (  segid "B   " and resid 31   and name HD% )
      3.700     1.700     1.700 peak   548 spectrum    1 weight  0.10000E+01 volume  0.30042E-02 ppm1      8.774 ppm2      7.086 CV     1
 ASSI {  550}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.23113E-02 ppm1      8.774 ppm2      9.056 CV     1
 ASSI {  550}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.23113E-02 ppm1      8.774 ppm2      9.056 CV     1
 ASSI {  552}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
      2.600     0.900     0.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.28677E-02 ppm1      8.774 ppm2      4.100 CV     1
 ASSI {  552}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
      2.600     0.900     0.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.28677E-02 ppm1      8.774 ppm2      4.100 CV     1
 ASSI {  553}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      3.500     1.600     1.600 peak   553 spectrum    1 weight  0.10000E+01 volume  0.98950E-03 ppm1      8.774 ppm2      3.949 CV     1
 ASSI {  553}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
      3.500     1.600     1.600 peak   553 spectrum    1 weight  0.10000E+01 volume  0.98950E-03 ppm1      8.774 ppm2      3.949 CV     1
 ASSI {  555}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HB3 ))
      2.600     0.800     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.38842E-02 ppm1      8.774 ppm2      2.867 CV     1
 ASSI {  555}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 31   and name HB3 ))
      2.600     0.800     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.38842E-02 ppm1      8.774 ppm2      2.867 CV     1
 ASSI {  556}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HB2 ))
      2.600     0.800     0.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.39489E-02 ppm1      8.774 ppm2      2.737 CV     1
 ASSI {  556}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 31   and name HB2 ))
      2.600     0.800     0.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.39489E-02 ppm1      8.774 ppm2      2.737 CV     1
 ASSI {  559}
   (( segid "A   " and resid 10   and name HN  ))
   (  segid "B   " and resid 105  and name HE% )
      4.300     2.400     1.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.76606E-03 ppm1      8.406 ppm2      6.978 CV     1
 ASSI {  559}
   (( segid "B   " and resid 10   and name HN  ))
   (  segid "A   " and resid 105  and name HE% )
      4.300     2.400     1.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.76606E-03 ppm1      8.406 ppm2      6.978 CV     1
 ASSI {  560}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.67159E-03 ppm1      8.406 ppm2      8.774 CV     1
 ASSI {  560}
   (( segid "B   " and resid 10   and name HN  ))
   (( segid "B   " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.67159E-03 ppm1      8.406 ppm2      8.774 CV     1
 ASSI {  561}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HB3 ))
      2.400     0.700     0.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.53396E-02 ppm1      8.785 ppm2      1.828 CV     1
 ASSI {  561}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 12   and name HB3 ))
      2.400     0.700     0.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.53396E-02 ppm1      8.785 ppm2      1.828 CV     1
 ASSI {  562}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HB2 ))
      2.300     0.600     0.600 peak   562 spectrum    1 weight  0.10000E+01 volume  0.81808E-02 ppm1      8.785 ppm2      1.720 CV     1
 ASSI {  562}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 12   and name HB2 ))
      2.300     0.600     0.600 peak   562 spectrum    1 weight  0.10000E+01 volume  0.81808E-02 ppm1      8.785 ppm2      1.720 CV     1
 ASSI {  563}
   (( segid "A   " and resid 12   and name HN  ))
   (  segid "A   " and resid 11   and name HD% )
      3.700     1.700     1.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.15017E-02 ppm1      8.785 ppm2      7.368 CV     1
 ASSI {  563}
   (( segid "B   " and resid 12   and name HN  ))
   (  segid "B   " and resid 11   and name HD% )
      3.700     1.700     1.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.15017E-02 ppm1      8.785 ppm2      7.368 CV     1
 ASSI {  566}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HB3 ))
      3.000     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.14420E-02 ppm1      8.785 ppm2      3.581 CV     1
 ASSI {  566}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 11   and name HB3 ))
      3.000     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.14420E-02 ppm1      8.785 ppm2      3.581 CV     1
 ASSI {  567}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.42462E-02 ppm1      8.785 ppm2      3.408 CV     1
 ASSI {  567}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.42462E-02 ppm1      8.785 ppm2      3.408 CV     1
 ASSI {  568}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HD3 ))
      3.200     1.300     1.300 peak   568 spectrum    1 weight  0.10000E+01 volume  0.51741E-02 ppm1      8.796 ppm2      1.611 CV     1
 OR {  568}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HD2 ))
 ASSI {  568}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 12   and name HD3 ))
      3.200     1.300     1.300 peak   568 spectrum    1 weight  0.10000E+01 volume  0.51741E-02 ppm1      8.796 ppm2      1.611 CV     1
 OR {  568}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 12   and name HD2 ))
 ASSI {  570}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
      6.000     6.000     0.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      8.796 ppm2      3.364 CV     1
 ASSI {  570}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 11   and name HB2 ))
      6.000     6.000     0.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      8.796 ppm2      3.364 CV     1
 ASSI {  571}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HE3 ))
      5.200     3.300     0.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.63969E-03 ppm1      8.796 ppm2      3.040 CV     1
 OR {  571}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HE2 ))
 ASSI {  571}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 12   and name HE3 ))
      5.200     3.300     0.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.63969E-03 ppm1      8.796 ppm2      3.040 CV     1
 OR {  571}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 12   and name HE2 ))
 ASSI {  572}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HB2 ))
      2.000     0.500     0.500 peak   572 spectrum    1 weight  0.10000E+01 volume  0.14647E-01 ppm1      7.692 ppm2      1.893 CV     1
 OR {  572}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HB3 ))
 ASSI {  572}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      2.000     0.500     0.500 peak   572 spectrum    1 weight  0.10000E+01 volume  0.14647E-01 ppm1      7.692 ppm2      1.893 CV     1
 OR {  572}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HB3 ))
 ASSI {  573}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HD3 ))
      3.800     1.800     1.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.35149E-02 ppm1      7.692 ppm2      1.676 CV     1
 OR {  573}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HD2 ))
 ASSI {  573}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HD3 ))
      3.800     1.800     1.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.35149E-02 ppm1      7.692 ppm2      1.676 CV     1
 OR {  573}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {  574}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HG3 ))
      4.000     2.000     2.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.14870E-02 ppm1      7.692 ppm2      1.438 CV     1
 ASSI {  574}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HG3 ))
      4.000     2.000     2.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.14870E-02 ppm1      7.692 ppm2      1.438 CV     1
 ASSI {  575}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HG2 ))
      4.400     2.400     1.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.10653E-02 ppm1      7.692 ppm2      1.265 CV     1
 ASSI {  575}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HG2 ))
      4.400     2.400     1.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.10653E-02 ppm1      7.692 ppm2      1.265 CV     1
 ASSI {  576}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 125  and name HD1%)
      4.600     2.600     1.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.42438E-03 ppm1      7.692 ppm2     -0.206 CV     1
 ASSI {  576}
   (( segid "B   " and resid 32   and name HN  ))
   (  segid "B   " and resid 125  and name HD1%)
      4.600     2.600     1.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.42438E-03 ppm1      7.692 ppm2     -0.206 CV     1
 ASSI {  577}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak   577 spectrum    1 weight  0.10000E+01 volume  0.10094E-02 ppm1      7.692 ppm2      7.995 CV     1
 ASSI {  577}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak   577 spectrum    1 weight  0.10000E+01 volume  0.10094E-02 ppm1      7.692 ppm2      7.995 CV     1
 ASSI {  580}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 31   and name HD% )
      3.600     1.600     1.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.14196E-02 ppm1      7.692 ppm2      7.086 CV     1
 ASSI {  580}
   (( segid "B   " and resid 32   and name HN  ))
   (  segid "B   " and resid 31   and name HD% )
      3.600     1.600     1.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.14196E-02 ppm1      7.692 ppm2      7.086 CV     1
 ASSI {  584}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
      3.400     1.400     1.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.86676E-03 ppm1      7.692 ppm2      4.100 CV     1
 ASSI {  584}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
      3.400     1.400     1.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.86676E-03 ppm1      7.692 ppm2      4.100 CV     1
 ASSI {  585}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.41287E-02 ppm1      7.692 ppm2      3.819 CV     1
 ASSI {  585}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.41287E-02 ppm1      7.692 ppm2      3.819 CV     1
 ASSI {  586}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HB3 ))
      2.600     0.900     0.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.32105E-02 ppm1      7.692 ppm2      2.888 CV     1
 ASSI {  586}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HB3 ))
      2.600     0.900     0.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.32105E-02 ppm1      7.692 ppm2      2.888 CV     1
 ASSI {  587}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HB2 ))
      3.500     1.600     1.600 peak   587 spectrum    1 weight  0.10000E+01 volume  0.25415E-02 ppm1      7.692 ppm2      2.737 CV     1
 ASSI {  587}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HB2 ))
      3.500     1.600     1.600 peak   587 spectrum    1 weight  0.10000E+01 volume  0.25415E-02 ppm1      7.692 ppm2      2.737 CV     1
 ASSI {  588}
   (( segid "A   " and resid 130  and name HN  ))
   (( segid "A   " and resid 130  and name HB3 ))
      3.700     1.700     1.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.11998E-02 ppm1      8.223 ppm2      1.741 CV     1
 ASSI {  588}
   (( segid "B   " and resid 130  and name HN  ))
   (( segid "B   " and resid 130  and name HB3 ))
      3.700     1.700     1.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.11998E-02 ppm1      8.223 ppm2      1.741 CV     1
 ASSI {  589}
   (( segid "A   " and resid 130  and name HN  ))
   (( segid "A   " and resid 130  and name HB2 ))
      3.200     1.300     1.300 peak   589 spectrum    1 weight  0.10000E+01 volume  0.14228E-02 ppm1      8.223 ppm2      1.633 CV     1
 ASSI {  589}
   (( segid "B   " and resid 130  and name HN  ))
   (( segid "B   " and resid 130  and name HB2 ))
      3.200     1.300     1.300 peak   589 spectrum    1 weight  0.10000E+01 volume  0.14228E-02 ppm1      8.223 ppm2      1.633 CV     1
 ASSI {  590}
   (( segid "A   " and resid 130  and name HN  ))
   (( segid "A   " and resid 130  and name HG3 ))
      4.000     2.000     2.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.15760E-02 ppm1      8.223 ppm2      1.460 CV     1
 OR {  590}
   (( segid "A   " and resid 130  and name HN  ))
   (( segid "A   " and resid 130  and name HG2 ))
 ASSI {  590}
   (( segid "B   " and resid 130  and name HN  ))
   (( segid "B   " and resid 130  and name HG3 ))
      4.000     2.000     2.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.15760E-02 ppm1      8.223 ppm2      1.460 CV     1
 OR {  590}
   (( segid "B   " and resid 130  and name HN  ))
   (( segid "B   " and resid 130  and name HG2 ))
 ASSI {  591}
   (( segid "A   " and resid 130  and name HN  ))
   (( segid "A   " and resid 130  and name HA  ))
      3.100     1.200     1.200 peak   591 spectrum    1 weight  0.10000E+01 volume  0.13214E-02 ppm1      8.223 ppm2      4.165 CV     1
 ASSI {  591}
   (( segid "B   " and resid 130  and name HN  ))
   (( segid "B   " and resid 130  and name HA  ))
      3.100     1.200     1.200 peak   591 spectrum    1 weight  0.10000E+01 volume  0.13214E-02 ppm1      8.223 ppm2      4.165 CV     1
 ASSI {  592}
   (( segid "A   " and resid 130  and name HN  ))
   (( segid "A   " and resid 129  and name HA  ))
      2.800     1.000     1.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.26087E-02 ppm1      8.223 ppm2      4.381 CV     1
 ASSI {  592}
   (( segid "B   " and resid 130  and name HN  ))
   (( segid "B   " and resid 129  and name HA  ))
      2.800     1.000     1.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.26087E-02 ppm1      8.223 ppm2      4.381 CV     1
 ASSI {  594}
   (( segid "A   " and resid 130  and name HN  ))
   (( segid "A   " and resid 129  and name HN  ))
      4.100     2.100     1.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.76222E-03 ppm1      8.223 ppm2      8.623 CV     1
 ASSI {  594}
   (( segid "B   " and resid 130  and name HN  ))
   (( segid "B   " and resid 129  and name HN  ))
      4.100     2.100     1.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.76222E-03 ppm1      8.223 ppm2      8.623 CV     1
 ASSI {  595}
   (( segid "A   " and resid 130  and name HN  ))
   (( segid "A   " and resid 129  and name HB3 ))
      5.100     3.300     0.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.57111E-03 ppm1      8.223 ppm2      2.780 CV     1
 ASSI {  595}
   (( segid "B   " and resid 130  and name HN  ))
   (( segid "B   " and resid 129  and name HB3 ))
      5.100     3.300     0.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.57111E-03 ppm1      8.223 ppm2      2.780 CV     1
 ASSI {  596}
   (( segid "A   " and resid 130  and name HN  ))
   (( segid "A   " and resid 129  and name HB2 ))
      3.700     1.700     1.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.47114E-03 ppm1      8.223 ppm2      2.672 CV     1
 ASSI {  596}
   (( segid "B   " and resid 130  and name HN  ))
   (( segid "B   " and resid 129  and name HB2 ))
      3.700     1.700     1.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.47114E-03 ppm1      8.223 ppm2      2.672 CV     1
 ASSI {  597}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.28268E-02 ppm1      8.785 ppm2      8.406 CV     1
 ASSI {  597}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.28268E-02 ppm1      8.785 ppm2      8.406 CV     1
 ASSI {  600}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.60062E-03 ppm1      8.796 ppm2      4.922 CV     1
 ASSI {  600}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.60062E-03 ppm1      8.796 ppm2      4.922 CV     1
 ASSI {  601}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HB3 ))
      2.500     0.800     0.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.57065E-02 ppm1      7.563 ppm2      1.828 CV     1
 OR {  601}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HB2 ))
 ASSI {  601}
   (( segid "B   " and resid 53   and name HN  ))
   (( segid "B   " and resid 52   and name HB3 ))
      2.500     0.800     0.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.57065E-02 ppm1      7.563 ppm2      1.828 CV     1
 OR {  601}
   (( segid "B   " and resid 53   and name HN  ))
   (( segid "B   " and resid 52   and name HB2 ))
 ASSI {  602}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak   602 spectrum    1 weight  0.10000E+01 volume  0.38747E-02 ppm1      7.563 ppm2      8.298 CV     1
 ASSI {  602}
   (( segid "B   " and resid 53   and name HN  ))
   (( segid "B   " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak   602 spectrum    1 weight  0.10000E+01 volume  0.38747E-02 ppm1      7.563 ppm2      8.298 CV     1
 ASSI {  603}
   (( segid "A   " and resid 53   and name HN  ))
   (  segid "A   " and resid 53   and name HB% )
      2.200     0.600     0.600 peak   603 spectrum    1 weight  0.10000E+01 volume  0.10792E-01 ppm1      7.563 ppm2      1.482 CV     1
 ASSI {  603}
   (( segid "B   " and resid 53   and name HN  ))
   (  segid "B   " and resid 53   and name HB% )
      2.200     0.600     0.600 peak   603 spectrum    1 weight  0.10000E+01 volume  0.10792E-01 ppm1      7.563 ppm2      1.482 CV     1
 ASSI {  606}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   606 spectrum    1 weight  0.10000E+01 volume  0.48576E-02 ppm1      7.563 ppm2      4.252 CV     1
 ASSI {  606}
   (( segid "B   " and resid 53   and name HN  ))
   (( segid "B   " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   606 spectrum    1 weight  0.10000E+01 volume  0.48576E-02 ppm1      7.563 ppm2      4.252 CV     1
 ASSI {  608}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.20749E-02 ppm1      7.563 ppm2      4.014 CV     1
 ASSI {  608}
   (( segid "B   " and resid 53   and name HN  ))
   (( segid "B   " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.20749E-02 ppm1      7.563 ppm2      4.014 CV     1
 ASSI {  609}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 51   and name HA  ))
      3.800     1.800     1.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.78068E-03 ppm1      7.563 ppm2      3.797 CV     1
 ASSI {  609}
   (( segid "B   " and resid 53   and name HN  ))
   (( segid "B   " and resid 51   and name HA  ))
      3.800     1.800     1.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.78068E-03 ppm1      7.563 ppm2      3.797 CV     1
 ASSI {  610}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 54   and name HG2 ))
      5.000     3.100     1.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.66247E-03 ppm1      7.563 ppm2      2.520 CV     1
 ASSI {  610}
   (( segid "B   " and resid 53   and name HN  ))
   (( segid "B   " and resid 54   and name HG2 ))
      5.000     3.100     1.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.66247E-03 ppm1      7.563 ppm2      2.520 CV     1
 ASSI {  611}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HD2 ))
      4.400     2.400     1.600 peak   611 spectrum    1 weight  0.10000E+01 volume  0.71234E-03 ppm1      7.573 ppm2      1.633 CV     1
 OR {  611}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HD3 ))
 ASSI {  611}
   (( segid "B   " and resid 53   and name HN  ))
   (( segid "B   " and resid 52   and name HD2 ))
      4.400     2.400     1.600 peak   611 spectrum    1 weight  0.10000E+01 volume  0.71234E-03 ppm1      7.573 ppm2      1.633 CV     1
 OR {  611}
   (( segid "B   " and resid 53   and name HN  ))
   (( segid "B   " and resid 52   and name HD3 ))
 ASSI {  613}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 54   and name HG3 ))
      4.700     2.700     1.300 peak   613 spectrum    1 weight  0.10000E+01 volume  0.52965E-03 ppm1      7.573 ppm2      2.780 CV     1
 ASSI {  613}
   (( segid "B   " and resid 53   and name HN  ))
   (( segid "B   " and resid 54   and name HG3 ))
      4.700     2.700     1.300 peak   613 spectrum    1 weight  0.10000E+01 volume  0.52965E-03 ppm1      7.573 ppm2      2.780 CV     1
 ASSI {  615}
   (( segid "A   " and resid 129  and name HN  ))
   (( segid "A   " and resid 128  and name HB3 ))
      3.100     1.200     1.200 peak   615 spectrum    1 weight  0.10000E+01 volume  0.20457E-02 ppm1      8.634 ppm2      1.373 CV     1
 ASSI {  615}
   (( segid "B   " and resid 129  and name HN  ))
   (( segid "B   " and resid 128  and name HB3 ))
      3.100     1.200     1.200 peak   615 spectrum    1 weight  0.10000E+01 volume  0.20457E-02 ppm1      8.634 ppm2      1.373 CV     1
 ASSI {  616}
   (( segid "A   " and resid 129  and name HN  ))
   (( segid "A   " and resid 128  and name HB2 ))
      3.700     1.700     1.700 peak   616 spectrum    1 weight  0.10000E+01 volume  0.16287E-02 ppm1      8.634 ppm2      1.309 CV     1
 ASSI {  616}
   (( segid "B   " and resid 129  and name HN  ))
   (( segid "B   " and resid 128  and name HB2 ))
      3.700     1.700     1.700 peak   616 spectrum    1 weight  0.10000E+01 volume  0.16287E-02 ppm1      8.634 ppm2      1.309 CV     1
 ASSI {  617}
   (( segid "A   " and resid 129  and name HN  ))
   (  segid "A   " and resid 128  and name HD2%)
      3.700     1.700     1.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.16652E-02 ppm1      8.634 ppm2      0.703 CV     1
 ASSI {  617}
   (( segid "B   " and resid 129  and name HN  ))
   (  segid "B   " and resid 128  and name HD2%)
      3.700     1.700     1.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.16652E-02 ppm1      8.634 ppm2      0.703 CV     1
 ASSI {  618}
   (( segid "A   " and resid 129  and name HN  ))
   (( segid "A   " and resid 128  and name HA  ))
      2.500     0.800     0.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.50997E-02 ppm1      8.634 ppm2      4.663 CV     1
 ASSI {  618}
   (( segid "B   " and resid 129  and name HN  ))
   (( segid "B   " and resid 128  and name HA  ))
      2.500     0.800     0.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.50997E-02 ppm1      8.634 ppm2      4.663 CV     1
 ASSI {  619}
   (( segid "A   " and resid 129  and name HN  ))
   (( segid "A   " and resid 129  and name HA  ))
      2.600     0.800     0.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.49129E-02 ppm1      8.634 ppm2      4.381 CV     1
 ASSI {  619}
   (( segid "B   " and resid 129  and name HN  ))
   (( segid "B   " and resid 129  and name HA  ))
      2.600     0.800     0.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.49129E-02 ppm1      8.634 ppm2      4.381 CV     1
 ASSI {  620}
   (( segid "A   " and resid 129  and name HN  ))
   (( segid "A   " and resid 129  and name HB3 ))
      3.300     1.400     1.400 peak   620 spectrum    1 weight  0.10000E+01 volume  0.13249E-02 ppm1      8.634 ppm2      2.780 CV     1
 ASSI {  620}
   (( segid "B   " and resid 129  and name HN  ))
   (( segid "B   " and resid 129  and name HB3 ))
      3.300     1.400     1.400 peak   620 spectrum    1 weight  0.10000E+01 volume  0.13249E-02 ppm1      8.634 ppm2      2.780 CV     1
 ASSI {  621}
   (( segid "A   " and resid 129  and name HN  ))
   (( segid "A   " and resid 129  and name HB2 ))
      4.000     2.000     2.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.90846E-03 ppm1      8.634 ppm2      2.672 CV     1
 ASSI {  621}
   (( segid "B   " and resid 129  and name HN  ))
   (( segid "B   " and resid 129  and name HB2 ))
      4.000     2.000     2.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.90846E-03 ppm1      8.634 ppm2      2.672 CV     1
 ASSI {  625}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 23   and name HB  ))
      2.300     0.700     0.700 peak   625 spectrum    1 weight  0.10000E+01 volume  0.64736E-02 ppm1      7.682 ppm2      2.044 CV     1
 ASSI {  625}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 23   and name HB  ))
      2.300     0.700     0.700 peak   625 spectrum    1 weight  0.10000E+01 volume  0.64736E-02 ppm1      7.682 ppm2      2.044 CV     1
 ASSI {  626}
   (( segid "A   " and resid 23   and name HN  ))
   (  segid "A   " and resid 23   and name HG1%)
      4.000     2.000     2.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.18930E-02 ppm1      7.682 ppm2      1.070 CV     1
 ASSI {  626}
   (( segid "B   " and resid 23   and name HN  ))
   (  segid "B   " and resid 23   and name HG1%)
      4.000     2.000     2.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.18930E-02 ppm1      7.682 ppm2      1.070 CV     1
 ASSI {  628}
   (( segid "A   " and resid 23   and name HN  ))
   (  segid "A   " and resid 111  and name HD% )
      4.100     2.100     1.900 peak   628 spectrum    1 weight  0.10000E+01 volume  0.10998E-02 ppm1      7.682 ppm2      6.978 CV     1
 ASSI {  628}
   (( segid "B   " and resid 23   and name HN  ))
   (  segid "B   " and resid 111  and name HD% )
      4.100     2.100     1.900 peak   628 spectrum    1 weight  0.10000E+01 volume  0.10998E-02 ppm1      7.682 ppm2      6.978 CV     1
 ASSI {  629}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.17448E-02 ppm1      7.682 ppm2      8.839 CV     1
 ASSI {  629}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.17448E-02 ppm1      7.682 ppm2      8.839 CV     1
 ASSI {  631}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.16822E-02 ppm1      7.682 ppm2      4.273 CV     1
 ASSI {  631}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.16822E-02 ppm1      7.682 ppm2      4.273 CV     1
 ASSI {  632}
   (( segid "A   " and resid 129  and name HN  ))
   (( segid "A   " and resid 128  and name HG  ))
      4.700     2.800     1.300 peak   632 spectrum    1 weight  0.10000E+01 volume  0.66127E-03 ppm1      8.623 ppm2      1.179 CV     1
 ASSI {  632}
   (( segid "B   " and resid 129  and name HN  ))
   (( segid "B   " and resid 128  and name HG  ))
      4.700     2.800     1.300 peak   632 spectrum    1 weight  0.10000E+01 volume  0.66127E-03 ppm1      8.623 ppm2      1.179 CV     1
 ASSI {  635}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 108  and name HB3 ))
      1.900     0.500     0.500 peak   635 spectrum    1 weight  0.10000E+01 volume  0.35701E-02 ppm1      9.131 ppm2      1.828 CV     1
 OR {  635}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 108  and name HB2 ))
 ASSI {  635}
   (( segid "B   " and resid 109  and name HN  ))
   (( segid "B   " and resid 108  and name HB3 ))
      1.900     0.500     0.500 peak   635 spectrum    1 weight  0.10000E+01 volume  0.35701E-02 ppm1      9.131 ppm2      1.828 CV     1
 OR {  635}
   (( segid "B   " and resid 109  and name HN  ))
   (( segid "B   " and resid 108  and name HB2 ))
 ASSI {  636}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 108  and name HG3 ))
      4.600     2.600     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      9.131 ppm2      1.590 CV     1
 ASSI {  636}
   (( segid "B   " and resid 109  and name HN  ))
   (( segid "B   " and resid 108  and name HG3 ))
      4.600     2.600     1.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      9.131 ppm2      1.590 CV     1
 ASSI {  638}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 108  and name HN  ))
      3.200     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.32487E-02 ppm1      9.131 ppm2      7.606 CV     1
 ASSI {  638}
   (( segid "B   " and resid 109  and name HN  ))
   (( segid "B   " and resid 108  and name HN  ))
      3.200     1.200     1.200 peak   638 spectrum    1 weight  0.10000E+01 volume  0.32487E-02 ppm1      9.131 ppm2      7.606 CV     1
 ASSI {  640}
   (( segid "A   " and resid 109  and name HN  ))
   (  segid "A   " and resid 109  and name HG2%)
      3.600     1.600     1.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.15309E-02 ppm1      9.142 ppm2      1.027 CV     1
 ASSI {  640}
   (( segid "B   " and resid 109  and name HN  ))
   (  segid "B   " and resid 109  and name HG2%)
      3.600     1.600     1.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.15309E-02 ppm1      9.142 ppm2      1.027 CV     1
 ASSI {  642}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 109  and name HB  ))
      2.800     1.000     1.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.26206E-02 ppm1      9.142 ppm2      3.711 CV     1
 ASSI {  642}
   (( segid "B   " and resid 109  and name HN  ))
   (( segid "B   " and resid 109  and name HB  ))
      2.800     1.000     1.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.26206E-02 ppm1      9.142 ppm2      3.711 CV     1
 ASSI {  643}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 107  and name HN  ))
      4.300     2.300     1.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.94396E-03 ppm1      8.104 ppm2      8.342 CV     1
 ASSI {  643}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 107  and name HN  ))
      4.300     2.300     1.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.94396E-03 ppm1      8.104 ppm2      8.342 CV     1
 ASSI {  647}
   (( segid "A   " and resid 105  and name HN  ))
   (  segid "A   " and resid 107  and name HD% )
      3.800     1.800     1.800 peak   647 spectrum    1 weight  0.10000E+01 volume  0.12648E-02 ppm1      8.104 ppm2      7.584 CV     1
 ASSI {  647}
   (( segid "B   " and resid 105  and name HN  ))
   (  segid "B   " and resid 107  and name HD% )
      3.800     1.800     1.800 peak   647 spectrum    1 weight  0.10000E+01 volume  0.12648E-02 ppm1      8.104 ppm2      7.584 CV     1
 ASSI {  648}
   (( segid "A   " and resid 105  and name HN  ))
   (  segid "A   " and resid 107  and name HE% )
      4.700     2.700     1.300 peak   648 spectrum    1 weight  0.10000E+01 volume  0.42367E-03 ppm1      8.104 ppm2      7.086 CV     1
 ASSI {  648}
   (( segid "B   " and resid 105  and name HN  ))
   (  segid "B   " and resid 107  and name HE% )
      4.700     2.700     1.300 peak   648 spectrum    1 weight  0.10000E+01 volume  0.42367E-03 ppm1      8.104 ppm2      7.086 CV     1
 ASSI {  649}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 104  and name HG2 ))
      5.200     3.300     0.800 peak   649 spectrum    1 weight  0.10000E+01 volume  0.26494E-03 ppm1      8.114 ppm2      2.304 CV     1
 ASSI {  649}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 104  and name HG2 ))
      5.100     3.300     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.26494E-03 ppm1      8.114 ppm2      2.304 CV     1
 ASSI {  650}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 104  and name HB2 ))
      3.500     1.500     1.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.10259E-02 ppm1      8.114 ppm2      2.109 CV     1
 ASSI {  650}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 104  and name HB2 ))
      3.500     1.500     1.500 peak   650 spectrum    1 weight  0.10000E+01 volume  0.10259E-02 ppm1      8.114 ppm2      2.109 CV     1
 ASSI {  653}
   (( segid "A   " and resid 105  and name HN  ))
   (  segid "A   " and resid 105  and name HD% )
      3.000     1.100     1.100 peak   653 spectrum    1 weight  0.10000E+01 volume  0.41766E-02 ppm1      8.114 ppm2      7.433 CV     1
 ASSI {  653}
   (( segid "B   " and resid 105  and name HN  ))
   (  segid "B   " and resid 105  and name HD% )
      3.000     1.100     1.100 peak   653 spectrum    1 weight  0.10000E+01 volume  0.41766E-02 ppm1      8.114 ppm2      7.433 CV     1
 ASSI {  654}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 103  and name HA  ))
      3.600     1.700     1.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.53875E-03 ppm1      8.114 ppm2      4.555 CV     1
 ASSI {  654}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 103  and name HA  ))
      3.600     1.700     1.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.53875E-03 ppm1      8.114 ppm2      4.555 CV     1
 ASSI {  655}
   (( segid "A   " and resid 105  and name HN  ))
   (  segid "A   " and resid 105  and name HE% )
      4.000     2.000     2.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.77012E-03 ppm1      8.114 ppm2      6.957 CV     1
 ASSI {  658}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 104  and name HA  ))
      3.300     1.400     1.400 peak   658 spectrum    1 weight  0.10000E+01 volume  0.12427E-02 ppm1      8.114 ppm2      4.143 CV     1
 ASSI {  658}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 104  and name HA  ))
      3.300     1.400     1.400 peak   658 spectrum    1 weight  0.10000E+01 volume  0.12427E-02 ppm1      8.114 ppm2      4.143 CV     1
 ASSI {  659}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 102  and name HA  ))
      3.300     1.400     1.400 peak   659 spectrum    1 weight  0.10000E+01 volume  0.11271E-02 ppm1      8.114 ppm2      3.797 CV     1
 ASSI {  659}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 102  and name HA  ))
      3.300     1.400     1.400 peak   659 spectrum    1 weight  0.10000E+01 volume  0.11271E-02 ppm1      8.114 ppm2      3.797 CV     1
 ASSI {  660}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 106  and name HA1 ))
      4.400     2.400     1.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.83294E-03 ppm1      8.114 ppm2      3.689 CV     1
 ASSI {  660}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 106  and name HA1 ))
      4.400     2.400     1.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.83294E-03 ppm1      8.114 ppm2      3.689 CV     1
 ASSI {  661}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 105  and name HB3 ))
      3.600     1.700     1.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.24288E-02 ppm1      8.114 ppm2      3.494 CV     1
 ASSI {  661}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 105  and name HB3 ))
      3.600     1.700     1.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.24288E-02 ppm1      8.114 ppm2      3.494 CV     1
 ASSI {  662}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 105  and name HB2 ))
      2.700     0.900     0.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.28748E-02 ppm1      8.114 ppm2      3.083 CV     1
 ASSI {  662}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 105  and name HB2 ))
      2.700     0.900     0.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.28748E-02 ppm1      8.114 ppm2      3.083 CV     1
 ASSI {  663}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 104  and name HB3 ))
      3.600     1.600     1.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.10876E-02 ppm1      8.114 ppm2      2.693 CV     1
 ASSI {  663}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 104  and name HB3 ))
      3.600     1.600     1.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.10876E-02 ppm1      8.114 ppm2      2.693 CV     1
 ASSI {  664}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 104  and name HG3 ))
      5.000     3.200     1.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.51381E-03 ppm1      8.114 ppm2      2.564 CV     1
 ASSI {  664}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 104  and name HG3 ))
      5.000     3.200     1.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.51381E-03 ppm1      8.114 ppm2      2.564 CV     1
 ASSI {  667}
   (( segid "A   " and resid 67   and name HN  ))
   (  segid "A   " and resid 45   and name HG1%)
      3.900     1.900     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.54235E-03 ppm1      8.331 ppm2      0.876 CV     1
 ASSI {  667}
   (( segid "B   " and resid 67   and name HN  ))
   (  segid "B   " and resid 45   and name HG1%)
      3.900     1.900     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.54235E-03 ppm1      8.331 ppm2      0.876 CV     1
 ASSI {  668}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 23   and name HB  ))
      4.200     2.200     1.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.79866E-03 ppm1      8.818 ppm2      2.044 CV     1
 ASSI {  668}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 23   and name HB  ))
      4.200     2.200     1.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.79866E-03 ppm1      8.818 ppm2      2.044 CV     1
 ASSI {  670}
   (( segid "A   " and resid 112  and name HN  ))
   (  segid "A   " and resid 86   and name HG2%)
      3.100     1.200     1.200 peak   670 spectrum    1 weight  0.10000E+01 volume  0.25559E-02 ppm1      8.818 ppm2      0.832 CV     1
 ASSI {  670}
   (( segid "B   " and resid 112  and name HN  ))
   (  segid "B   " and resid 86   and name HG2%)
      3.100     1.200     1.200 peak   670 spectrum    1 weight  0.10000E+01 volume  0.25559E-02 ppm1      8.818 ppm2      0.832 CV     1
 ASSI {  671}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 111  and name HN  ))
      3.600     1.600     1.600 peak   671 spectrum    1 weight  0.10000E+01 volume  0.13859E-02 ppm1      8.818 ppm2      9.099 CV     1
 ASSI {  671}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 111  and name HN  ))
      3.600     1.600     1.600 peak   671 spectrum    1 weight  0.10000E+01 volume  0.13859E-02 ppm1      8.818 ppm2      9.099 CV     1
 ASSI {  673}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 111  and name HA  ))
      2.400     0.700     0.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.51790E-02 ppm1      8.818 ppm2      5.766 CV     1
 ASSI {  673}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 111  and name HA  ))
      2.400     0.700     0.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.51790E-02 ppm1      8.818 ppm2      5.766 CV     1
 ASSI {  674}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 112  and name HA  ))
      3.000     1.100     1.100 peak   674 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      8.818 ppm2      5.399 CV     1
 ASSI {  674}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 112  and name HA  ))
      3.000     1.100     1.100 peak   674 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      8.818 ppm2      5.399 CV     1
 ASSI {  675}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 86   and name HA  ))
      4.100     2.100     1.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.74494E-03 ppm1      8.818 ppm2      4.836 CV     1
 ASSI {  675}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 86   and name HA  ))
      4.100     2.100     1.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.74494E-03 ppm1      8.818 ppm2      4.836 CV     1
 ASSI {  677}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 112  and name HB3 ))
      2.800     1.000     1.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.20265E-02 ppm1      8.818 ppm2      3.494 CV     1
 ASSI {  677}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 112  and name HB3 ))
      2.800     1.000     1.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.20265E-02 ppm1      8.818 ppm2      3.494 CV     1
 ASSI {  678}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 111  and name HB3 ))
      3.000     1.200     1.200 peak   678 spectrum    1 weight  0.10000E+01 volume  0.12041E-02 ppm1      8.818 ppm2      3.018 CV     1
 ASSI {  678}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 111  and name HB3 ))
      3.000     1.200     1.200 peak   678 spectrum    1 weight  0.10000E+01 volume  0.12041E-02 ppm1      8.818 ppm2      3.018 CV     1
 ASSI {  679}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 111  and name HB2 ))
      3.200     1.300     1.300 peak   679 spectrum    1 weight  0.10000E+01 volume  0.20064E-02 ppm1      8.818 ppm2      2.888 CV     1
 ASSI {  679}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 111  and name HB2 ))
      3.200     1.300     1.300 peak   679 spectrum    1 weight  0.10000E+01 volume  0.20064E-02 ppm1      8.818 ppm2      2.888 CV     1
 ASSI {  680}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 112  and name HB2 ))
      2.800     1.000     1.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.20361E-02 ppm1      8.818 ppm2      2.672 CV     1
 ASSI {  680}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 112  and name HB2 ))
      2.800     1.000     1.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.20361E-02 ppm1      8.818 ppm2      2.672 CV     1
 ASSI {  683}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 120  and name HN  ))
      3.900     1.900     1.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.60829E-03 ppm1      9.088 ppm2      8.471 CV     1
 ASSI {  683}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 120  and name HN  ))
      3.900     1.900     1.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.60829E-03 ppm1      9.088 ppm2      8.471 CV     1
 ASSI {  684}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 119  and name HB2 ))
      3.900     1.900     1.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.14278E-02 ppm1      9.088 ppm2      1.806 CV     1
 ASSI {  684}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 119  and name HB2 ))
      3.900     1.900     1.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.14278E-02 ppm1      9.088 ppm2      1.806 CV     1
 ASSI {  685}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 119  and name HD2 ))
      3.300     1.300     1.300 peak   685 spectrum    1 weight  0.10000E+01 volume  0.24073E-02 ppm1      9.088 ppm2      1.633 CV     1
 ASSI {  685}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 119  and name HD2 ))
      3.300     1.300     1.300 peak   685 spectrum    1 weight  0.10000E+01 volume  0.24073E-02 ppm1      9.088 ppm2      1.633 CV     1
 ASSI {  687}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 119  and name HN  ))
      2.700     0.900     0.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.27334E-02 ppm1      9.088 ppm2      7.433 CV     1
 ASSI {  687}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 119  and name HN  ))
      2.700     0.900     0.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.27334E-02 ppm1      9.088 ppm2      7.433 CV     1
 ASSI {  688}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 117  and name HN  ))
      2.600     0.900     0.900 peak   688 spectrum    1 weight  0.10000E+01 volume  0.20428E-02 ppm1      9.088 ppm2      8.926 CV     1
 ASSI {  688}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 117  and name HN  ))
      2.600     0.900     0.900 peak   688 spectrum    1 weight  0.10000E+01 volume  0.20428E-02 ppm1      9.088 ppm2      8.926 CV     1
 ASSI {  689}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 118  and name HA  ))
      2.700     0.900     0.900 peak   689 spectrum    1 weight  0.10000E+01 volume  0.36635E-02 ppm1      9.088 ppm2      4.403 CV     1
 ASSI {  689}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 118  and name HA  ))
      2.700     0.900     0.900 peak   689 spectrum    1 weight  0.10000E+01 volume  0.36635E-02 ppm1      9.088 ppm2      4.403 CV     1
 ASSI {  692}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 116  and name HA1 ))
      4.600     2.600     1.400 peak   692 spectrum    1 weight  0.10000E+01 volume  0.45676E-03 ppm1      9.088 ppm2      3.126 CV     1
 ASSI {  692}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 116  and name HA1 ))
      4.600     2.600     1.400 peak   692 spectrum    1 weight  0.10000E+01 volume  0.45676E-03 ppm1      9.088 ppm2      3.126 CV     1
 ASSI {  693}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 118  and name HB2 ))
      2.500     0.800     0.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.47041E-02 ppm1      9.088 ppm2      2.910 CV     1
 OR {  693}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 118  and name HB3 ))
 ASSI {  693}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 118  and name HB2 ))
      2.500     0.800     0.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.47041E-02 ppm1      9.088 ppm2      2.910 CV     1
 OR {  693}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 118  and name HB3 ))
 ASSI {  696}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 30   and name HN  ))
      3.500     1.600     1.600 peak   696 spectrum    1 weight  0.10000E+01 volume  0.12118E-02 ppm1      9.272 ppm2      9.077 CV     1
 ASSI {  696}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 30   and name HN  ))
      3.500     1.600     1.600 peak   696 spectrum    1 weight  0.10000E+01 volume  0.12118E-02 ppm1      9.272 ppm2      9.077 CV     1
 ASSI {  698}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 100  and name HN  ))
      2.300     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.58142E-02 ppm1      7.811 ppm2      7.671 CV     1
 ASSI {  698}
   (( segid "B   " and resid 101  and name HN  ))
   (( segid "B   " and resid 100  and name HN  ))
      2.300     0.700     0.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.58142E-02 ppm1      7.811 ppm2      7.671 CV     1
 ASSI {  700}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 101  and name HB  ))
      2.400     0.700     0.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.58911E-02 ppm1      7.811 ppm2      4.230 CV     1
 ASSI {  700}
   (( segid "B   " and resid 101  and name HN  ))
   (( segid "B   " and resid 101  and name HB  ))
      2.400     0.700     0.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.58911E-02 ppm1      7.811 ppm2      4.230 CV     1
 ASSI {  702}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 100  and name HB3 ))
      3.100     1.200     1.200 peak   702 spectrum    1 weight  0.10000E+01 volume  0.30164E-02 ppm1      7.822 ppm2      2.196 CV     1
 ASSI {  702}
   (( segid "B   " and resid 101  and name HN  ))
   (( segid "B   " and resid 100  and name HB3 ))
      3.100     1.200     1.200 peak   702 spectrum    1 weight  0.10000E+01 volume  0.30164E-02 ppm1      7.822 ppm2      2.196 CV     1
 ASSI {  703}
   (( segid "A   " and resid 101  and name HN  ))
   (  segid "A   " and resid 101  and name HG2%)
      3.600     1.700     1.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.22735E-02 ppm1      7.822 ppm2      1.179 CV     1
 ASSI {  703}
   (( segid "B   " and resid 101  and name HN  ))
   (  segid "B   " and resid 101  and name HG2%)
      3.600     1.700     1.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.22735E-02 ppm1      7.822 ppm2      1.179 CV     1
 ASSI {  704}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 103  and name HN  ))
      3.800     1.800     1.800 peak   704 spectrum    1 weight  0.10000E+01 volume  0.87394E-03 ppm1      7.822 ppm2      8.168 CV     1
 ASSI {  704}
   (( segid "B   " and resid 101  and name HN  ))
   (( segid "B   " and resid 103  and name HN  ))
      3.800     1.800     1.800 peak   704 spectrum    1 weight  0.10000E+01 volume  0.87394E-03 ppm1      7.822 ppm2      8.168 CV     1
 ASSI {  706}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 102  and name HN  ))
      2.700     0.900     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.26614E-02 ppm1      7.822 ppm2      8.709 CV     1
 ASSI {  706}
   (( segid "B   " and resid 101  and name HN  ))
   (( segid "B   " and resid 102  and name HN  ))
      2.700     0.900     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.26614E-02 ppm1      7.822 ppm2      8.709 CV     1
 ASSI {  707}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 32   and name HG2 ))
      3.000     1.100     1.100 peak   707 spectrum    1 weight  0.10000E+01 volume  0.25943E-02 ppm1      7.855 ppm2      1.265 CV     1
 ASSI {  707}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HG2 ))
      3.000     1.100     1.100 peak   707 spectrum    1 weight  0.10000E+01 volume  0.25943E-02 ppm1      7.855 ppm2      1.265 CV     1
 ASSI {  710}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 32   and name HN  ))
      2.300     0.700     0.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.56320E-02 ppm1      7.855 ppm2      7.671 CV     1
 ASSI {  710}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HN  ))
      2.300     0.700     0.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.56320E-02 ppm1      7.855 ppm2      7.671 CV     1
 ASSI {  712}
   (( segid "A   " and resid 33   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
      2.300     0.600     0.600 peak   712 spectrum    1 weight  0.10000E+01 volume  0.74784E-02 ppm1      7.855 ppm2      3.884 CV     1
 ASSI {  712}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
      2.300     0.600     0.600 peak   712 spectrum    1 weight  0.10000E+01 volume  0.74784E-02 ppm1      7.855 ppm2      3.884 CV     1
 ASSI {  719}
   (( segid "A   " and resid 102  and name HN  ))
   (( segid "A   " and resid 102  and name HB3 ))
      3.700     1.700     1.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.17467E-02 ppm1      8.731 ppm2      1.785 CV     1
 ASSI {  719}
   (( segid "B   " and resid 102  and name HN  ))
   (( segid "B   " and resid 102  and name HB3 ))
      3.700     1.700     1.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.17467E-02 ppm1      8.731 ppm2      1.785 CV     1
 ASSI {  723}
   (( segid "A   " and resid 102  and name HN  ))
   (  segid "A   " and resid 102  and name HD2%)
      3.700     1.700     1.700 peak   723 spectrum    1 weight  0.10000E+01 volume  0.18050E-02 ppm1      8.731 ppm2     -0.098 CV     1
 ASSI {  723}
   (( segid "B   " and resid 102  and name HN  ))
   (  segid "B   " and resid 102  and name HD2%)
      3.700     1.700     1.700 peak   723 spectrum    1 weight  0.10000E+01 volume  0.18050E-02 ppm1      8.731 ppm2     -0.098 CV     1
 ASSI {  725}
   (( segid "A   " and resid 102  and name HN  ))
   (( segid "A   " and resid 100  and name HN  ))
      4.100     2.100     1.900 peak   725 spectrum    1 weight  0.10000E+01 volume  0.46131E-03 ppm1      8.731 ppm2      7.671 CV     1
 ASSI {  725}
   (( segid "B   " and resid 102  and name HN  ))
   (( segid "B   " and resid 100  and name HN  ))
      4.100     2.100     1.900 peak   725 spectrum    1 weight  0.10000E+01 volume  0.46131E-03 ppm1      8.731 ppm2      7.671 CV     1
 ASSI {  728}
   (( segid "A   " and resid 102  and name HN  ))
   (( segid "A   " and resid 102  and name HG  ))
      2.500     0.800     0.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.34910E-02 ppm1      8.742 ppm2      1.568 CV     1
 ASSI {  728}
   (( segid "B   " and resid 102  and name HN  ))
   (( segid "B   " and resid 102  and name HG  ))
      2.500     0.800     0.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.34910E-02 ppm1      8.742 ppm2      1.568 CV     1
 ASSI {  731}
   (( segid "A   " and resid 102  and name HN  ))
   (( segid "A   " and resid 101  and name HB  ))
      2.700     0.900     0.900 peak   731 spectrum    1 weight  0.10000E+01 volume  0.29563E-02 ppm1      8.742 ppm2      4.230 CV     1
 ASSI {  731}
   (( segid "B   " and resid 102  and name HN  ))
   (( segid "B   " and resid 101  and name HB  ))
      2.700     0.900     0.900 peak   731 spectrum    1 weight  0.10000E+01 volume  0.29563E-02 ppm1      8.742 ppm2      4.230 CV     1
 ASSI {  733}
   (( segid "A   " and resid 102  and name HN  ))
   (( segid "A   " and resid 102  and name HA  ))
      3.000     1.100     1.100 peak   733 spectrum    1 weight  0.10000E+01 volume  0.16510E-02 ppm1      8.742 ppm2      3.797 CV     1
 ASSI {  733}
   (( segid "B   " and resid 102  and name HN  ))
   (( segid "B   " and resid 102  and name HA  ))
      3.000     1.100     1.100 peak   733 spectrum    1 weight  0.10000E+01 volume  0.16510E-02 ppm1      8.742 ppm2      3.797 CV     1
 ASSI {  736}
   (( segid "A   " and resid 26   and name HN  ))
   (  segid "A   " and resid 25   and name HD2%)
      2.600     0.800     0.800 peak   736 spectrum    1 weight  0.10000E+01 volume  0.25032E-02 ppm1      9.272 ppm2      0.941 CV     1
 ASSI {  736}
   (( segid "B   " and resid 26   and name HN  ))
   (  segid "B   " and resid 25   and name HD2%)
      2.600     0.800     0.800 peak   736 spectrum    1 weight  0.10000E+01 volume  0.25032E-02 ppm1      9.272 ppm2      0.941 CV     1
 ASSI {  737}
   (( segid "A   " and resid 26   and name HN  ))
   (  segid "A   " and resid 25   and name HD1%)
      4.500     2.500     1.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.73319E-03 ppm1      9.272 ppm2      0.573 CV     1
 ASSI {  737}
   (( segid "B   " and resid 26   and name HN  ))
   (  segid "B   " and resid 25   and name HD1%)
      4.500     2.500     1.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.73319E-03 ppm1      9.272 ppm2      0.573 CV     1
 ASSI {  739}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 25   and name HA  ))
      2.100     0.600     0.600 peak   739 spectrum    1 weight  0.10000E+01 volume  0.72913E-02 ppm1      9.272 ppm2      5.074 CV     1
 ASSI {  739}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 25   and name HA  ))
      2.100     0.600     0.600 peak   739 spectrum    1 weight  0.10000E+01 volume  0.72913E-02 ppm1      9.272 ppm2      5.074 CV     1
 ASSI {  740}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   740 spectrum    1 weight  0.10000E+01 volume  0.44190E-02 ppm1      9.272 ppm2      4.706 CV     1
 ASSI {  740}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   740 spectrum    1 weight  0.10000E+01 volume  0.44190E-02 ppm1      9.272 ppm2      4.706 CV     1
 ASSI {  742}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HB3 ))
      3.100     1.200     1.200 peak   742 spectrum    1 weight  0.10000E+01 volume  0.18985E-02 ppm1      9.272 ppm2      4.338 CV     1
 ASSI {  742}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB3 ))
      3.100     1.200     1.200 peak   742 spectrum    1 weight  0.10000E+01 volume  0.18985E-02 ppm1      9.272 ppm2      4.338 CV     1
 ASSI {  743}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HB2 ))
      3.200     1.300     1.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.47474E-02 ppm1      9.272 ppm2      4.078 CV     1
 ASSI {  743}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
      3.200     1.300     1.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.47474E-02 ppm1      9.272 ppm2      4.078 CV     1
 ASSI {  744}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   744 spectrum    1 weight  0.10000E+01 volume  0.93532E-03 ppm1      9.272 ppm2      3.949 CV     1
 ASSI {  744}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   744 spectrum    1 weight  0.10000E+01 volume  0.93532E-03 ppm1      9.272 ppm2      3.949 CV     1
 ASSI {  745}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 29   and name HB3 ))
      3.900     1.900     1.900 peak   745 spectrum    1 weight  0.10000E+01 volume  0.18217E-02 ppm1      9.272 ppm2      2.953 CV     1
 ASSI {  745}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 29   and name HB3 ))
      3.900     1.900     1.900 peak   745 spectrum    1 weight  0.10000E+01 volume  0.18217E-02 ppm1      9.272 ppm2      2.953 CV     1
 ASSI {  746}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 29   and name HB2 ))
      3.400     1.500     1.500 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12923E-02 ppm1      9.272 ppm2      2.564 CV     1
 ASSI {  746}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.400     1.500     1.500 peak   746 spectrum    1 weight  0.10000E+01 volume  0.12923E-02 ppm1      9.272 ppm2      2.564 CV     1
 ASSI {  751}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 61   and name HD21))
      4.000     2.000     2.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.37093E-03 ppm1      9.294 ppm2      6.502 CV     1
 ASSI {  751}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 61   and name HD21))
      4.000     2.000     2.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.37093E-03 ppm1      9.294 ppm2      6.502 CV     1
 ASSI {  752}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.28342E-02 ppm1      7.844 ppm2      8.406 CV     1
 ASSI {  752}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.28342E-02 ppm1      7.844 ppm2      8.406 CV     1
 ASSI {  753}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
      1.900     0.400     0.400 peak   753 spectrum    1 weight  0.10000E+01 volume  0.21962E-01 ppm1      7.844 ppm2      1.850 CV     1
 OR {  753}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HB3 ))
 ASSI {  753}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 16   and name HB2 ))
      1.900     0.400     0.400 peak   753 spectrum    1 weight  0.10000E+01 volume  0.21962E-01 ppm1      7.844 ppm2      1.850 CV     1
 OR {  753}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 16   and name HB3 ))
 ASSI {  754}
   (( segid "A   " and resid 16   and name HN  ))
   (  segid "A   " and resid 15   and name HG2%)
      4.000     2.000     2.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.13441E-02 ppm1      7.844 ppm2      0.443 CV     1
 ASSI {  755}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 17   and name HN  ))
      2.100     0.600     0.600 peak   755 spectrum    1 weight  0.10000E+01 volume  0.13645E-01 ppm1      7.844 ppm2      7.930 CV     1
 ASSI {  755}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 17   and name HN  ))
      2.100     0.600     0.600 peak   755 spectrum    1 weight  0.10000E+01 volume  0.13645E-01 ppm1      7.844 ppm2      7.930 CV     1
 ASSI {  756}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak   756 spectrum    1 weight  0.10000E+01 volume  0.69891E-02 ppm1      7.844 ppm2      3.776 CV     1
 ASSI {  756}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak   756 spectrum    1 weight  0.10000E+01 volume  0.69891E-02 ppm1      7.844 ppm2      3.776 CV     1
 ASSI {  757}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak   757 spectrum    1 weight  0.10000E+01 volume  0.74735E-03 ppm1      7.844 ppm2      3.429 CV     1
 ASSI {  757}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak   757 spectrum    1 weight  0.10000E+01 volume  0.74735E-03 ppm1      7.844 ppm2      3.429 CV     1
 ASSI {  758}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak   758 spectrum    1 weight  0.10000E+01 volume  0.93651E-03 ppm1      7.844 ppm2      3.256 CV     1
 ASSI {  758}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak   758 spectrum    1 weight  0.10000E+01 volume  0.93651E-03 ppm1      7.844 ppm2      3.256 CV     1
 ASSI {  759}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak   759 spectrum    1 weight  0.10000E+01 volume  0.13873E-02 ppm1      7.844 ppm2      8.515 CV     1
 ASSI {  759}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak   759 spectrum    1 weight  0.10000E+01 volume  0.13873E-02 ppm1      7.844 ppm2      8.515 CV     1
 ASSI {  760}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 59   and name HB  ))
      3.400     1.500     1.500 peak   760 spectrum    1 weight  0.10000E+01 volume  0.13882E-02 ppm1      9.294 ppm2      2.455 CV     1
 ASSI {  760}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 59   and name HB  ))
      3.400     1.500     1.500 peak   760 spectrum    1 weight  0.10000E+01 volume  0.13882E-02 ppm1      9.294 ppm2      2.455 CV     1
 ASSI {  761}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 60   and name HB2 ))
      2.400     0.700     0.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.54306E-02 ppm1      9.294 ppm2      1.828 CV     1
 OR {  761}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 60   and name HB3 ))
 ASSI {  761}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 60   and name HB2 ))
      2.400     0.700     0.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.54306E-02 ppm1      9.294 ppm2      1.828 CV     1
 OR {  761}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 60   and name HB3 ))
 ASSI {  762}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 60   and name HG3 ))
      4.700     2.700     1.300 peak   762 spectrum    1 weight  0.10000E+01 volume  0.69485E-03 ppm1      9.294 ppm2      1.525 CV     1
 ASSI {  762}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 60   and name HG3 ))
      4.700     2.700     1.300 peak   762 spectrum    1 weight  0.10000E+01 volume  0.69485E-03 ppm1      9.294 ppm2      1.525 CV     1
 ASSI {  763}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 60   and name HG2 ))
      5.200     3.400     0.800 peak   763 spectrum    1 weight  0.10000E+01 volume  0.43469E-03 ppm1      9.294 ppm2      1.417 CV     1
 ASSI {  763}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 60   and name HG2 ))
      5.200     3.400     0.800 peak   763 spectrum    1 weight  0.10000E+01 volume  0.43469E-03 ppm1      9.294 ppm2      1.417 CV     1
 ASSI {  764}
   (( segid "A   " and resid 61   and name HN  ))
   (  segid "A   " and resid 34   and name HD2%)
      3.600     1.600     1.600 peak   764 spectrum    1 weight  0.10000E+01 volume  0.10535E-02 ppm1      9.294 ppm2      0.768 CV     1
 ASSI {  764}
   (( segid "B   " and resid 61   and name HN  ))
   (  segid "B   " and resid 34   and name HD2%)
      3.600     1.600     1.600 peak   764 spectrum    1 weight  0.10000E+01 volume  0.10535E-02 ppm1      9.294 ppm2      0.768 CV     1
 ASSI {  765}
   (( segid "A   " and resid 61   and name HN  ))
   (  segid "A   " and resid 59   and name HG2%)
      2.800     1.000     1.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.21164E-02 ppm1      9.294 ppm2      0.681 CV     1
 ASSI {  765}
   (( segid "B   " and resid 61   and name HN  ))
   (  segid "B   " and resid 59   and name HG2%)
      2.800     1.000     1.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.21164E-02 ppm1      9.294 ppm2      0.681 CV     1
 ASSI {  766}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      6.000     5.200     0.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      9.294 ppm2      4.057 CV     1
 ASSI {  766}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 60   and name HA  ))
      6.000     5.200     0.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      9.294 ppm2      4.057 CV     1
 ASSI {  767}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 62   and name HN  ))
      3.600     1.600     1.600 peak   767 spectrum    1 weight  0.10000E+01 volume  0.13834E-02 ppm1      9.294 ppm2      7.974 CV     1
 ASSI {  767}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 62   and name HN  ))
      3.600     1.600     1.600 peak   767 spectrum    1 weight  0.10000E+01 volume  0.13834E-02 ppm1      9.294 ppm2      7.974 CV     1
 ASSI {  769}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 61   and name HD22))
      3.700     1.700     1.700 peak   769 spectrum    1 weight  0.10000E+01 volume  0.59605E-03 ppm1      9.294 ppm2      7.238 CV     1
 ASSI {  769}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 61   and name HD22))
      3.700     1.700     1.700 peak   769 spectrum    1 weight  0.10000E+01 volume  0.59605E-03 ppm1      9.294 ppm2      7.238 CV     1
 ASSI {  770}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   770 spectrum    1 weight  0.10000E+01 volume  0.32151E-02 ppm1      9.294 ppm2      4.944 CV     1
 ASSI {  770}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   770 spectrum    1 weight  0.10000E+01 volume  0.32151E-02 ppm1      9.294 ppm2      4.944 CV     1
 ASSI {  772}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 61   and name HB3 ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.30930E-02 ppm1      9.294 ppm2      3.191 CV     1
 ASSI {  772}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 61   and name HB3 ))
      3.100     1.200     1.200 peak   772 spectrum    1 weight  0.10000E+01 volume  0.30930E-02 ppm1      9.294 ppm2      3.191 CV     1
 ASSI {  773}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 60   and name HN  ))
      2.900     1.100     1.100 peak   773 spectrum    1 weight  0.10000E+01 volume  0.24504E-02 ppm1      9.294 ppm2      8.558 CV     1
 ASSI {  773}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 60   and name HN  ))
      2.900     1.100     1.100 peak   773 spectrum    1 weight  0.10000E+01 volume  0.24504E-02 ppm1      9.294 ppm2      8.558 CV     1
 ASSI {  777}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 52   and name HA  ))
      4.500     2.500     1.500 peak   777 spectrum    1 weight  0.10000E+01 volume  0.66271E-03 ppm1      6.848 ppm2      4.014 CV     1
 ASSI {  777}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 52   and name HA  ))
      4.400     2.500     1.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.66271E-03 ppm1      6.848 ppm2      4.014 CV     1
 ASSI {  782}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 52   and name HB2 ))
      4.500     2.500     1.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.63539E-03 ppm1      6.859 ppm2      1.828 CV     1
 OR {  782}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 52   and name HB3 ))
 ASSI {  782}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 52   and name HB2 ))
      4.500     2.500     1.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.63539E-03 ppm1      6.859 ppm2      1.828 CV     1
 OR {  782}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 52   and name HB3 ))
 ASSI {  783}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HB3 ))
      3.600     1.600     1.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.28867E-02 ppm1      6.859 ppm2      1.503 CV     1
 ASSI {  783}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 51   and name HB3 ))
      3.600     1.600     1.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.28867E-02 ppm1      6.859 ppm2      1.503 CV     1
 ASSI {  784}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HB2 ))
      2.300     0.700     0.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.48170E-02 ppm1      6.859 ppm2      1.309 CV     1
 OR {  784}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HG  ))
 ASSI {  784}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 51   and name HB2 ))
      2.300     0.700     0.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.48170E-02 ppm1      6.859 ppm2      1.309 CV     1
 OR {  784}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 51   and name HG  ))
 ASSI {  788}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   788 spectrum    1 weight  0.10000E+01 volume  0.27142E-02 ppm1      6.859 ppm2      7.433 CV     1
 ASSI {  788}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   788 spectrum    1 weight  0.10000E+01 volume  0.27142E-02 ppm1      6.859 ppm2      7.433 CV     1
 ASSI {  791}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.25871E-02 ppm1      6.859 ppm2      3.797 CV     1
 ASSI {  791}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.25871E-02 ppm1      6.859 ppm2      3.797 CV     1
 ASSI {  798}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.77876E-02 ppm1      7.920 ppm2      1.850 CV     1
 OR {  798}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 16   and name HB3 ))
 ASSI {  798}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.77876E-02 ppm1      7.920 ppm2      1.850 CV     1
 OR {  798}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HB3 ))
 ASSI {  799}
   (( segid "A   " and resid 17   and name HN  ))
   (  segid "A   " and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10456E-02 ppm1      7.920 ppm2      0.746 CV     1
 ASSI {  799}
   (( segid "B   " and resid 17   and name HN  ))
   (  segid "B   " and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10456E-02 ppm1      7.920 ppm2      0.746 CV     1
 ASSI {  800}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   800 spectrum    1 weight  0.10000E+01 volume  0.93364E-02 ppm1      7.920 ppm2      4.078 CV     1
 ASSI {  800}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   800 spectrum    1 weight  0.10000E+01 volume  0.93364E-02 ppm1      7.920 ppm2      4.078 CV     1
 ASSI {  801}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak   801 spectrum    1 weight  0.10000E+01 volume  0.22425E-02 ppm1      7.930 ppm2      8.428 CV     1
 ASSI {  801}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak   801 spectrum    1 weight  0.10000E+01 volume  0.22425E-02 ppm1      7.930 ppm2      8.428 CV     1
 ASSI {  802}
   (( segid "A   " and resid 17   and name HN  ))
   (  segid "A   " and resid 17   and name HB% )
      2.100     0.500     0.500 peak   802 spectrum    1 weight  0.10000E+01 volume  0.20344E-01 ppm1      7.930 ppm2      1.417 CV     1
 ASSI {  802}
   (( segid "B   " and resid 17   and name HN  ))
   (  segid "B   " and resid 17   and name HB% )
      2.100     0.500     0.500 peak   802 spectrum    1 weight  0.10000E+01 volume  0.20344E-01 ppm1      7.930 ppm2      1.417 CV     1
 ASSI {  803}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 20   and name HN  ))
      4.300     2.300     1.700 peak   803 spectrum    1 weight  0.10000E+01 volume  0.58142E-03 ppm1      7.930 ppm2      7.108 CV     1
 ASSI {  803}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 20   and name HN  ))
      4.300     2.300     1.700 peak   803 spectrum    1 weight  0.10000E+01 volume  0.58142E-03 ppm1      7.930 ppm2      7.108 CV     1
 ASSI {  804}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak   804 spectrum    1 weight  0.10000E+01 volume  0.24432E-02 ppm1      7.930 ppm2      3.797 CV     1
 ASSI {  804}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak   804 spectrum    1 weight  0.10000E+01 volume  0.24432E-02 ppm1      7.930 ppm2      3.797 CV     1
 ASSI {  806}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 5    and name HG2 ))
      4.200     2.300     1.800 peak   806 spectrum    1 weight  0.10000E+01 volume  0.16436E-02 ppm1      8.201 ppm2      2.304 CV     1
 ASSI {  806}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 5    and name HG2 ))
      4.200     2.300     1.800 peak   806 spectrum    1 weight  0.10000E+01 volume  0.16436E-02 ppm1      8.201 ppm2      2.304 CV     1
 ASSI {  807}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 5    and name HB2 ))
      2.300     0.700     0.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.73465E-02 ppm1      8.201 ppm2      2.066 CV     1
 OR {  807}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 5    and name HB3 ))
 ASSI {  807}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 5    and name HB2 ))
      2.300     0.700     0.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.73465E-02 ppm1      8.201 ppm2      2.066 CV     1
 OR {  807}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 5    and name HB3 ))
 ASSI {  808}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 6    and name HB2 ))
      5.000     3.100     1.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.37810E-03 ppm1      8.201 ppm2      1.828 CV     1
 OR {  808}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 6    and name HB3 ))
 ASSI {  808}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 6    and name HB2 ))
      5.000     3.100     1.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.37810E-03 ppm1      8.201 ppm2      1.828 CV     1
 OR {  808}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 6    and name HB3 ))
 ASSI {  809}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak   809 spectrum    1 weight  0.10000E+01 volume  0.15273E-02 ppm1      8.201 ppm2      7.779 CV     1
 ASSI {  809}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak   809 spectrum    1 weight  0.10000E+01 volume  0.15273E-02 ppm1      8.201 ppm2      7.779 CV     1
 ASSI {  810}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.41959E-03 ppm1      8.201 ppm2      4.425 CV     1
 ASSI {  810}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 3    and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.41959E-03 ppm1      8.201 ppm2      4.425 CV     1
 ASSI {  811}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 5    and name HA  ))
      2.600     0.800     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.47810E-02 ppm1      8.201 ppm2      4.187 CV     1
 ASSI {  811}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 5    and name HA  ))
      2.600     0.800     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.47810E-02 ppm1      8.201 ppm2      4.187 CV     1
 ASSI {  812}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 4    and name HA1 ))
      3.400     1.400     1.400 peak   812 spectrum    1 weight  0.10000E+01 volume  0.13038E-02 ppm1      8.201 ppm2      3.970 CV     1
 ASSI {  812}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 4    and name HA1 ))
      3.400     1.400     1.400 peak   812 spectrum    1 weight  0.10000E+01 volume  0.13038E-02 ppm1      8.201 ppm2      3.970 CV     1
 ASSI {  813}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 6    and name HG3 ))
      5.400     3.600     0.600 peak   813 spectrum    1 weight  0.10000E+01 volume  0.31626E-03 ppm1      8.212 ppm2      1.438 CV     1
 ASSI {  813}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 6    and name HG3 ))
      5.400     3.600     0.600 peak   813 spectrum    1 weight  0.10000E+01 volume  0.31626E-03 ppm1      8.212 ppm2      1.438 CV     1
 ASSI {  815}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 120  and name HN  ))
      2.500     0.800     0.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.37859E-02 ppm1      7.444 ppm2      8.493 CV     1
 ASSI {  815}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 120  and name HN  ))
      2.500     0.800     0.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.37859E-02 ppm1      7.444 ppm2      8.493 CV     1
 ASSI {  816}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 119  and name HB3 ))
      3.600     1.600     1.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      7.444 ppm2      1.979 CV     1
 ASSI {  816}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 119  and name HB3 ))
      3.600     1.600     1.600 peak   816 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      7.444 ppm2      1.979 CV     1
 ASSI {  817}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 119  and name HB2 ))
      2.300     0.700     0.700 peak   817 spectrum    1 weight  0.10000E+01 volume  0.41791E-02 ppm1      7.444 ppm2      1.806 CV     1
 ASSI {  817}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 119  and name HB2 ))
      2.300     0.700     0.700 peak   817 spectrum    1 weight  0.10000E+01 volume  0.41791E-02 ppm1      7.444 ppm2      1.806 CV     1
 ASSI {  818}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 119  and name HA  ))
      2.700     0.900     0.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.27670E-02 ppm1      7.444 ppm2      4.295 CV     1
 ASSI {  818}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 119  and name HA  ))
      2.700     0.900     0.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.27670E-02 ppm1      7.444 ppm2      4.295 CV     1
 ASSI {  819}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 118  and name HB3 ))
      2.800     1.000     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      7.444 ppm2      2.910 CV     1
 OR {  819}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 118  and name HB2 ))
 ASSI {  819}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 118  and name HB3 ))
      2.800     1.000     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      7.444 ppm2      2.910 CV     1
 OR {  819}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 118  and name HB2 ))
 ASSI {  821}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 119  and name HD3 ))
      3.500     1.500     1.500 peak   821 spectrum    1 weight  0.10000E+01 volume  0.28006E-02 ppm1      7.454 ppm2      1.698 CV     1
 ASSI {  821}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 119  and name HD3 ))
      3.500     1.500     1.500 peak   821 spectrum    1 weight  0.10000E+01 volume  0.28006E-02 ppm1      7.454 ppm2      1.698 CV     1
 ASSI {  824}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 118  and name HA  ))
      3.300     1.400     1.400 peak   824 spectrum    1 weight  0.10000E+01 volume  0.13914E-02 ppm1      7.454 ppm2      4.403 CV     1
 ASSI {  824}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 118  and name HA  ))
      3.300     1.400     1.400 peak   824 spectrum    1 weight  0.10000E+01 volume  0.13914E-02 ppm1      7.454 ppm2      4.403 CV     1
 ASSI {  825}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 115  and name HA2 ))
      4.300     2.300     1.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.85092E-03 ppm1      7.454 ppm2      4.057 CV     1
 ASSI {  825}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 115  and name HA2 ))
      4.300     2.300     1.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.85092E-03 ppm1      7.454 ppm2      4.057 CV     1
 ASSI {  830}
   (( segid "A   " and resid 79   and name HN  ))
   (  segid "A   " and resid 79   and name HD2%)
      3.700     1.700     1.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.23806E-02 ppm1      7.833 ppm2      0.876 CV     1
 ASSI {  830}
   (( segid "B   " and resid 79   and name HN  ))
   (  segid "B   " and resid 79   and name HD2%)
      3.700     1.700     1.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.23806E-02 ppm1      7.833 ppm2      0.876 CV     1
 ASSI {  835}
   (( segid "A   " and resid 9    and name HN  ))
   (  segid "A   " and resid 9    and name HB% )
      2.200     0.600     0.600 peak   835 spectrum    1 weight  0.10000E+01 volume  0.13357E-01 ppm1      8.352 ppm2      1.611 CV     1
 ASSI {  835}
   (( segid "B   " and resid 9    and name HN  ))
   (  segid "B   " and resid 9    and name HB% )
      2.200     0.600     0.600 peak   835 spectrum    1 weight  0.10000E+01 volume  0.13357E-01 ppm1      8.352 ppm2      1.611 CV     1
 ASSI {  836}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak   836 spectrum    1 weight  0.10000E+01 volume  0.71906E-02 ppm1      8.352 ppm2      4.122 CV     1
 ASSI {  836}
   (( segid "B   " and resid 9    and name HN  ))
   (( segid "B   " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak   836 spectrum    1 weight  0.10000E+01 volume  0.71906E-02 ppm1      8.352 ppm2      4.122 CV     1
 ASSI {  839}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HB2 ))
      2.500     0.800     0.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.45484E-02 ppm1      8.385 ppm2      1.828 CV     1
 OR {  839}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HB3 ))
 ASSI {  839}
   (( segid "B   " and resid 7    and name HN  ))
   (( segid "B   " and resid 6    and name HB2 ))
      2.500     0.800     0.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.45484E-02 ppm1      8.385 ppm2      1.828 CV     1
 OR {  839}
   (( segid "B   " and resid 7    and name HN  ))
   (( segid "B   " and resid 6    and name HB3 ))
 ASSI {  840}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HG2 ))
      4.600     2.600     1.400 peak   840 spectrum    1 weight  0.10000E+01 volume  0.62004E-03 ppm1      8.385 ppm2      1.373 CV     1
 ASSI {  840}
   (( segid "B   " and resid 7    and name HN  ))
   (( segid "B   " and resid 6    and name HG2 ))
      4.600     2.600     1.400 peak   840 spectrum    1 weight  0.10000E+01 volume  0.62004E-03 ppm1      8.385 ppm2      1.373 CV     1
 ASSI {  841}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak   841 spectrum    1 weight  0.10000E+01 volume  0.22778E-02 ppm1      8.385 ppm2      7.779 CV     1
 ASSI {  841}
   (( segid "B   " and resid 7    and name HN  ))
   (( segid "B   " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak   841 spectrum    1 weight  0.10000E+01 volume  0.22778E-02 ppm1      8.385 ppm2      7.779 CV     1
 ASSI {  842}
   (( segid "A   " and resid 7    and name HN  ))
   (  segid "A   " and resid 7    and name HE% )
      3.500     1.600     1.600 peak   842 spectrum    1 weight  0.10000E+01 volume  0.14420E-02 ppm1      8.385 ppm2      7.563 CV     1
 ASSI {  842}
   (( segid "B   " and resid 7    and name HN  ))
   (  segid "B   " and resid 7    and name HE% )
      3.500     1.600     1.600 peak   842 spectrum    1 weight  0.10000E+01 volume  0.14420E-02 ppm1      8.385 ppm2      7.563 CV     1
 ASSI {  843}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   843 spectrum    1 weight  0.10000E+01 volume  0.20874E-02 ppm1      8.385 ppm2      4.987 CV     1
 ASSI {  843}
   (( segid "B   " and resid 7    and name HN  ))
   (( segid "B   " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   843 spectrum    1 weight  0.10000E+01 volume  0.20874E-02 ppm1      8.385 ppm2      4.987 CV     1
 ASSI {  844}
   (( segid "A   " and resid 7    and name HN  ))
   (  segid "A   " and resid 7    and name HD% )
      2.900     1.100     1.100 peak   844 spectrum    1 weight  0.10000E+01 volume  0.23677E-02 ppm1      8.385 ppm2      7.454 CV     1
 ASSI {  844}
   (( segid "B   " and resid 7    and name HN  ))
   (  segid "B   " and resid 7    and name HD% )
      2.900     1.100     1.100 peak   844 spectrum    1 weight  0.10000E+01 volume  0.23677E-02 ppm1      8.385 ppm2      7.454 CV     1
 ASSI {  848}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB3 ))
      2.600     0.900     0.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.29108E-02 ppm1      8.385 ppm2      3.429 CV     1
 ASSI {  848}
   (( segid "B   " and resid 7    and name HN  ))
   (( segid "B   " and resid 7    and name HB3 ))
      2.600     0.900     0.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.29108E-02 ppm1      8.385 ppm2      3.429 CV     1
 ASSI {  849}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB2 ))
      3.200     1.300     1.300 peak   849 spectrum    1 weight  0.10000E+01 volume  0.30402E-02 ppm1      8.385 ppm2      3.321 CV     1
 ASSI {  849}
   (( segid "B   " and resid 7    and name HN  ))
   (( segid "B   " and resid 7    and name HB2 ))
      3.200     1.300     1.300 peak   849 spectrum    1 weight  0.10000E+01 volume  0.30402E-02 ppm1      8.385 ppm2      3.321 CV     1
 ASSI {  851}
   (( segid "A   " and resid 8    and name HN  ))
   (  segid "B   " and resid 75   and name HB% )
      3.800     1.800     1.800 peak   851 spectrum    1 weight  0.10000E+01 volume  0.38146E-02 ppm1      8.590 ppm2      1.655 CV     1
 ASSI {  851}
   (( segid "B   " and resid 8    and name HN  ))
   (  segid "A   " and resid 75   and name HB% )
      3.800     1.800     1.800 peak   851 spectrum    1 weight  0.10000E+01 volume  0.38146E-02 ppm1      8.590 ppm2      1.655 CV     1
 ASSI {  852}
   (( segid "A   " and resid 8    and name HN  ))
   (  segid "A   " and resid 7    and name HD% )
      3.400     1.400     1.400 peak   852 spectrum    1 weight  0.10000E+01 volume  0.11703E-02 ppm1      8.590 ppm2      7.454 CV     1
 ASSI {  852}
   (( segid "B   " and resid 8    and name HN  ))
   (  segid "B   " and resid 7    and name HD% )
      3.400     1.400     1.400 peak   852 spectrum    1 weight  0.10000E+01 volume  0.11703E-02 ppm1      8.590 ppm2      7.454 CV     1
 ASSI {  853}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HA  ))
      3.500     1.500     1.500 peak   853 spectrum    1 weight  0.10000E+01 volume  0.97033E-03 ppm1      8.590 ppm2      4.987 CV     1
 ASSI {  853}
   (( segid "B   " and resid 8    and name HN  ))
   (( segid "B   " and resid 7    and name HA  ))
      3.500     1.500     1.500 peak   853 spectrum    1 weight  0.10000E+01 volume  0.97033E-03 ppm1      8.590 ppm2      4.987 CV     1
 ASSI {  856}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HB3 ))
      3.400     1.500     1.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.20593E-02 ppm1      8.590 ppm2      3.429 CV     1
 ASSI {  856}
   (( segid "B   " and resid 8    and name HN  ))
   (( segid "B   " and resid 7    and name HB3 ))
      3.400     1.500     1.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.20593E-02 ppm1      8.590 ppm2      3.429 CV     1
 ASSI {  857}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HB2 ))
      3.200     1.300     1.300 peak   857 spectrum    1 weight  0.10000E+01 volume  0.20742E-02 ppm1      8.590 ppm2      3.321 CV     1
 ASSI {  857}
   (( segid "B   " and resid 8    and name HN  ))
   (( segid "B   " and resid 7    and name HB2 ))
      3.200     1.300     1.300 peak   857 spectrum    1 weight  0.10000E+01 volume  0.20742E-02 ppm1      8.590 ppm2      3.321 CV     1
 ASSI {  859}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.35893E-03 ppm1      8.601 ppm2      7.779 CV     1
 ASSI {  859}
   (( segid "B   " and resid 8    and name HN  ))
   (( segid "B   " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.35893E-03 ppm1      8.601 ppm2      7.779 CV     1
 ASSI {  860}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "B   " and resid 75   and name HA  ))
      4.600     2.600     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.75477E-03 ppm1      8.601 ppm2      4.555 CV     1
 ASSI {  860}
   (( segid "B   " and resid 8    and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      4.600     2.600     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.75477E-03 ppm1      8.601 ppm2      4.555 CV     1
 ASSI {  863}
   (( segid "A   " and resid 113  and name HN  ))
   (  segid "A   " and resid 86   and name HG2%)
      3.000     1.100     1.100 peak   863 spectrum    1 weight  0.10000E+01 volume  0.32920E-02 ppm1      7.249 ppm2      0.854 CV     1
 ASSI {  863}
   (( segid "B   " and resid 113  and name HN  ))
   (  segid "B   " and resid 86   and name HG2%)
      3.000     1.100     1.100 peak   863 spectrum    1 weight  0.10000E+01 volume  0.32920E-02 ppm1      7.249 ppm2      0.854 CV     1
 ASSI {  864}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 87   and name HN  ))
      4.200     2.200     1.800 peak   864 spectrum    1 weight  0.10000E+01 volume  0.71643E-03 ppm1      7.249 ppm2      9.121 CV     1
 ASSI {  864}
   (( segid "B   " and resid 113  and name HN  ))
   (( segid "B   " and resid 87   and name HN  ))
      4.200     2.200     1.800 peak   864 spectrum    1 weight  0.10000E+01 volume  0.71643E-03 ppm1      7.249 ppm2      9.121 CV     1
 ASSI {  866}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 112  and name HA  ))
      2.300     0.700     0.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.56009E-02 ppm1      7.249 ppm2      5.399 CV     1
 ASSI {  866}
   (( segid "B   " and resid 113  and name HN  ))
   (( segid "B   " and resid 112  and name HA  ))
      2.300     0.700     0.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.56009E-02 ppm1      7.249 ppm2      5.399 CV     1
 ASSI {  867}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 114  and name HN  ))
      4.700     2.700     1.300 peak   867 spectrum    1 weight  0.10000E+01 volume  0.49846E-03 ppm1      7.249 ppm2      9.986 CV     1
 ASSI {  867}
   (( segid "B   " and resid 113  and name HN  ))
   (( segid "B   " and resid 114  and name HN  ))
      4.700     2.700     1.300 peak   867 spectrum    1 weight  0.10000E+01 volume  0.49846E-03 ppm1      7.249 ppm2      9.986 CV     1
 ASSI {  868}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 113  and name HB3 ))
      2.600     0.800     0.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.20519E-02 ppm1      7.249 ppm2      4.446 CV     1
 ASSI {  868}
   (( segid "B   " and resid 113  and name HN  ))
   (( segid "B   " and resid 113  and name HB3 ))
      2.600     0.800     0.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.20519E-02 ppm1      7.249 ppm2      4.446 CV     1
 ASSI {  869}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 112  and name HN  ))
      4.000     2.000     2.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.70492E-03 ppm1      7.249 ppm2      8.818 CV     1
 ASSI {  869}
   (( segid "B   " and resid 113  and name HN  ))
   (( segid "B   " and resid 112  and name HN  ))
      4.000     2.000     2.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.70492E-03 ppm1      7.249 ppm2      8.818 CV     1
 ASSI {  870}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 113  and name HB2 ))
      3.000     1.100     1.100 peak   870 spectrum    1 weight  0.10000E+01 volume  0.27429E-02 ppm1      7.249 ppm2      3.386 CV     1
 ASSI {  870}
   (( segid "B   " and resid 113  and name HN  ))
   (( segid "B   " and resid 113  and name HB2 ))
      3.000     1.100     1.100 peak   870 spectrum    1 weight  0.10000E+01 volume  0.27429E-02 ppm1      7.249 ppm2      3.386 CV     1
 ASSI {  872}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 112  and name HB2 ))
      3.600     1.600     1.600 peak   872 spectrum    1 weight  0.10000E+01 volume  0.11039E-02 ppm1      7.260 ppm2      2.650 CV     1
 ASSI {  872}
   (( segid "B   " and resid 113  and name HN  ))
   (( segid "B   " and resid 112  and name HB2 ))
      3.600     1.600     1.600 peak   872 spectrum    1 weight  0.10000E+01 volume  0.11039E-02 ppm1      7.260 ppm2      2.650 CV     1
 ASSI {  874}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 100  and name HB3 ))
      4.800     2.900     1.200 peak   874 spectrum    1 weight  0.10000E+01 volume  0.37475E-03 ppm1      7.584 ppm2      2.174 CV     1
 ASSI {  874}
   (( segid "B   " and resid 96   and name HN  ))
   (( segid "B   " and resid 100  and name HB3 ))
      4.800     2.900     1.200 peak   874 spectrum    1 weight  0.10000E+01 volume  0.37475E-03 ppm1      7.584 ppm2      2.174 CV     1
 ASSI {  878}
   (( segid "A   " and resid 96   and name HN  ))
   (  segid "A   " and resid 96   and name HB% )
      2.300     0.700     0.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.77037E-02 ppm1      7.584 ppm2      1.438 CV     1
 ASSI {  878}
   (( segid "B   " and resid 96   and name HN  ))
   (  segid "B   " and resid 96   and name HB% )
      2.300     0.700     0.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.77037E-02 ppm1      7.584 ppm2      1.438 CV     1
 ASSI {  879}
   (( segid "A   " and resid 96   and name HN  ))
   (  segid "A   " and resid 95   and name HB% )
      2.900     1.100     1.100 peak   879 spectrum    1 weight  0.10000E+01 volume  0.31241E-02 ppm1      7.584 ppm2      1.135 CV     1
 ASSI {  879}
   (( segid "B   " and resid 96   and name HN  ))
   (  segid "B   " and resid 95   and name HB% )
      2.900     1.100     1.100 peak   879 spectrum    1 weight  0.10000E+01 volume  0.31241E-02 ppm1      7.584 ppm2      1.135 CV     1
 ASSI {  882}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 97   and name HN  ))
      2.600     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.33375E-02 ppm1      7.584 ppm2      7.173 CV     1
 ASSI {  882}
   (( segid "B   " and resid 96   and name HN  ))
   (( segid "B   " and resid 97   and name HN  ))
      2.600     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.33375E-02 ppm1      7.584 ppm2      7.173 CV     1
 ASSI {  884}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 112  and name HD21))
      4.200     2.300     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.15621E-02 ppm1      7.584 ppm2      5.745 CV     1
 ASSI {  884}
   (( segid "B   " and resid 96   and name HN  ))
   (( segid "B   " and resid 112  and name HD21))
      4.200     2.300     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.15621E-02 ppm1      7.584 ppm2      5.745 CV     1
 ASSI {  887}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 96   and name HA  ))
      2.500     0.800     0.800 peak   887 spectrum    1 weight  0.10000E+01 volume  0.39681E-02 ppm1      7.584 ppm2      3.840 CV     1
 ASSI {  887}
   (( segid "B   " and resid 96   and name HN  ))
   (( segid "B   " and resid 96   and name HA  ))
      2.500     0.800     0.800 peak   887 spectrum    1 weight  0.10000E+01 volume  0.39681E-02 ppm1      7.584 ppm2      3.840 CV     1
 ASSI {  888}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      7.584 ppm2      3.711 CV     1
 ASSI {  888}
   (( segid "B   " and resid 96   and name HN  ))
   (( segid "B   " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.12590E-02 ppm1      7.584 ppm2      3.711 CV     1
 ASSI {  891}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HG  ))
      3.200     1.200     1.200 peak   891 spectrum    1 weight  0.10000E+01 volume  0.15285E-02 ppm1      8.277 ppm2      1.525 CV     1
 ASSI {  891}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 74   and name HG  ))
      3.100     1.200     1.200 peak   891 spectrum    1 weight  0.10000E+01 volume  0.15285E-02 ppm1      8.277 ppm2      1.525 CV     1
 ASSI {  892}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HB2 ))
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.14273E-02 ppm1      8.277 ppm2      0.551 CV     1
 ASSI {  892}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 74   and name HB2 ))
      4.200     2.200     1.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.14273E-02 ppm1      8.277 ppm2      0.551 CV     1
 ASSI {  893}
   (( segid "A   " and resid 75   and name HN  ))
   (  segid "A   " and resid 74   and name HD2%)
      4.200     2.200     1.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.67230E-03 ppm1      8.277 ppm2      0.140 CV     1
 ASSI {  893}
   (( segid "B   " and resid 75   and name HN  ))
   (  segid "B   " and resid 74   and name HD2%)
      4.200     2.200     1.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.67230E-03 ppm1      8.277 ppm2      0.140 CV     1
 ASSI {  894}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HN  ))
      2.900     1.000     1.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.22516E-02 ppm1      8.277 ppm2      7.736 CV     1
 ASSI {  894}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 74   and name HN  ))
      2.900     1.000     1.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.22516E-02 ppm1      8.277 ppm2      7.736 CV     1
 ASSI {  895}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 76   and name HN  ))
      2.600     0.800     0.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.34166E-02 ppm1      8.277 ppm2      7.476 CV     1
 ASSI {  895}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 76   and name HN  ))
      2.600     0.800     0.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.34166E-02 ppm1      8.277 ppm2      7.476 CV     1
 ASSI {  896}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 76   and name HA  ))
      4.500     2.500     1.500 peak   896 spectrum    1 weight  0.10000E+01 volume  0.60685E-03 ppm1      8.277 ppm2      4.684 CV     1
 ASSI {  896}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 76   and name HA  ))
      4.500     2.500     1.500 peak   896 spectrum    1 weight  0.10000E+01 volume  0.60685E-03 ppm1      8.277 ppm2      4.684 CV     1
 ASSI {  897}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      2.800     1.000     1.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.30451E-02 ppm1      8.277 ppm2      4.555 CV     1
 ASSI {  897}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 75   and name HA  ))
      2.800     1.000     1.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.30451E-02 ppm1      8.277 ppm2      4.555 CV     1
 ASSI {  899}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   899 spectrum    1 weight  0.10000E+01 volume  0.17275E-02 ppm1      8.277 ppm2      3.473 CV     1
 ASSI {  899}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   899 spectrum    1 weight  0.10000E+01 volume  0.17275E-02 ppm1      8.277 ppm2      3.473 CV     1
 ASSI {  900}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
      3.300     1.300     1.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      8.277 ppm2      3.299 CV     1
 ASSI {  900}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 72   and name HA  ))
      3.300     1.300     1.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      8.277 ppm2      3.299 CV     1
 ASSI {  902}
   (( segid "A   " and resid 127  and name HN  ))
   (( segid "A   " and resid 58   and name HB3 ))
      3.800     1.800     1.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.57352E-03 ppm1      8.915 ppm2      2.780 CV     1
 ASSI {  902}
   (( segid "B   " and resid 127  and name HN  ))
   (( segid "B   " and resid 58   and name HB3 ))
      3.800     1.800     1.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.57352E-03 ppm1      8.915 ppm2      2.780 CV     1
 ASSI {  903}
   (( segid "A   " and resid 127  and name HN  ))
   (( segid "A   " and resid 126  and name HB3 ))
      3.800     1.800     1.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.23080E-02 ppm1      8.926 ppm2      2.434 CV     1
 ASSI {  903}
   (( segid "B   " and resid 127  and name HN  ))
   (( segid "B   " and resid 126  and name HB3 ))
      3.800     1.800     1.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.23080E-02 ppm1      8.926 ppm2      2.434 CV     1
 ASSI {  904}
   (( segid "A   " and resid 127  and name HN  ))
   (( segid "A   " and resid 126  and name HB2 ))
      3.400     1.400     1.400 peak   904 spectrum    1 weight  0.10000E+01 volume  0.17155E-02 ppm1      8.926 ppm2      2.196 CV     1
 ASSI {  904}
   (( segid "B   " and resid 127  and name HN  ))
   (( segid "B   " and resid 126  and name HB2 ))
      3.400     1.400     1.400 peak   904 spectrum    1 weight  0.10000E+01 volume  0.17155E-02 ppm1      8.926 ppm2      2.196 CV     1
 ASSI {  905}
   (( segid "A   " and resid 127  and name HN  ))
   (( segid "A   " and resid 126  and name HG2 ))
      4.700     2.800     1.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.46299E-03 ppm1      8.926 ppm2      1.958 CV     1
 ASSI {  905}
   (( segid "B   " and resid 127  and name HN  ))
   (( segid "B   " and resid 126  and name HG2 ))
      4.700     2.800     1.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.46299E-03 ppm1      8.926 ppm2      1.958 CV     1
 ASSI {  906}
   (( segid "A   " and resid 127  and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
      4.000     2.000     2.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.47209E-03 ppm1      8.926 ppm2      1.763 CV     1
 ASSI {  906}
   (( segid "B   " and resid 127  and name HN  ))
   (( segid "B   " and resid 58   and name HB2 ))
      4.000     2.000     2.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.47209E-03 ppm1      8.926 ppm2      1.763 CV     1
 ASSI {  907}
   (( segid "A   " and resid 127  and name HN  ))
   (( segid "A   " and resid 127  and name HA  ))
      3.200     1.300     1.300 peak   907 spectrum    1 weight  0.10000E+01 volume  0.13041E-02 ppm1      8.926 ppm2      5.139 CV     1
 ASSI {  907}
   (( segid "B   " and resid 127  and name HN  ))
   (( segid "B   " and resid 127  and name HA  ))
      3.200     1.300     1.300 peak   907 spectrum    1 weight  0.10000E+01 volume  0.13041E-02 ppm1      8.926 ppm2      5.139 CV     1
 ASSI {  908}
   (( segid "A   " and resid 127  and name HN  ))
   (( segid "A   " and resid 126  and name HA  ))
      2.200     0.600     0.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.10447E-01 ppm1      8.926 ppm2      4.403 CV     1
 ASSI {  908}
   (( segid "B   " and resid 127  and name HN  ))
   (( segid "B   " and resid 126  and name HA  ))
      2.200     0.600     0.600 peak   908 spectrum    1 weight  0.10000E+01 volume  0.10447E-01 ppm1      8.926 ppm2      4.403 CV     1
 ASSI {  910}
   (( segid "A   " and resid 127  and name HN  ))
   (( segid "A   " and resid 127  and name HB2 ))
      3.000     1.100     1.100 peak   910 spectrum    1 weight  0.10000E+01 volume  0.18877E-02 ppm1      8.926 ppm2      3.689 CV     1
 OR {  910}
   (( segid "A   " and resid 127  and name HN  ))
   (( segid "A   " and resid 127  and name HB3 ))
 ASSI {  910}
   (( segid "B   " and resid 127  and name HN  ))
   (( segid "B   " and resid 127  and name HB2 ))
      3.000     1.100     1.100 peak   910 spectrum    1 weight  0.10000E+01 volume  0.18877E-02 ppm1      8.926 ppm2      3.689 CV     1
 OR {  910}
   (( segid "B   " and resid 127  and name HN  ))
   (( segid "B   " and resid 127  and name HB3 ))
 ASSI {  911}
   (( segid "A   " and resid 127  and name HN  ))
   (( segid "A   " and resid 58   and name HN  ))
      4.600     2.600     1.400 peak   911 spectrum    1 weight  0.10000E+01 volume  0.32441E-03 ppm1      8.937 ppm2      8.017 CV     1
 ASSI {  911}
   (( segid "B   " and resid 127  and name HN  ))
   (( segid "B   " and resid 58   and name HN  ))
      4.600     2.600     1.400 peak   911 spectrum    1 weight  0.10000E+01 volume  0.32441E-03 ppm1      8.937 ppm2      8.017 CV     1
 ASSI {  912}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.43039E-02 ppm1      7.941 ppm2      8.450 CV     1
 ASSI {  912}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.43039E-02 ppm1      7.941 ppm2      8.450 CV     1
 ASSI {  917}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.85715E-03 ppm1      7.941 ppm2      7.130 CV     1
 ASSI {  917}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.85715E-03 ppm1      7.941 ppm2      7.130 CV     1
 ASSI {  918}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   918 spectrum    1 weight  0.10000E+01 volume  0.86173E-02 ppm1      7.941 ppm2      4.122 CV     1
 ASSI {  918}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   918 spectrum    1 weight  0.10000E+01 volume  0.86173E-02 ppm1      7.941 ppm2      4.122 CV     1
 ASSI {  920}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   920 spectrum    1 weight  0.10000E+01 volume  0.15074E-02 ppm1      7.941 ppm2      3.278 CV     1
 ASSI {  920}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   920 spectrum    1 weight  0.10000E+01 volume  0.15074E-02 ppm1      7.941 ppm2      3.278 CV     1
 ASSI {  924}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HN  ))
      2.300     0.600     0.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.62770E-02 ppm1      7.995 ppm2      8.298 CV     1
 ASSI {  924}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 82   and name HN  ))
      2.300     0.600     0.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.62770E-02 ppm1      7.995 ppm2      8.298 CV     1
 ASSI {  925}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 83   and name HG3 ))
      2.600     0.900     0.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.27356E-02 ppm1      7.995 ppm2      1.525 CV     1
 ASSI {  925}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 83   and name HG3 ))
      2.600     0.900     0.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.27356E-02 ppm1      7.995 ppm2      1.525 CV     1
 ASSI {  926}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 80   and name HA  ))
      4.300     2.300     1.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.81569E-03 ppm1      7.995 ppm2      5.009 CV     1
 ASSI {  926}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 80   and name HA  ))
      4.300     2.300     1.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.81569E-03 ppm1      7.995 ppm2      5.009 CV     1
 ASSI {  927}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.28821E-02 ppm1      7.995 ppm2      4.858 CV     1
 ASSI {  927}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 83   and name HA  ))
      2.700     0.900     0.900 peak   927 spectrum    1 weight  0.10000E+01 volume  0.28821E-02 ppm1      7.995 ppm2      4.858 CV     1
 ASSI {  929}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 81   and name HA  ))
      3.600     1.600     1.600 peak   929 spectrum    1 weight  0.10000E+01 volume  0.82888E-03 ppm1      7.995 ppm2      3.559 CV     1
 ASSI {  929}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 81   and name HA  ))
      3.600     1.600     1.600 peak   929 spectrum    1 weight  0.10000E+01 volume  0.82888E-03 ppm1      7.995 ppm2      3.559 CV     1
 ASSI {  931}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 80   and name HB3 ))
      4.100     2.100     1.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.87226E-03 ppm1      7.995 ppm2      2.910 CV     1
 ASSI {  931}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 80   and name HB3 ))
      4.100     2.100     1.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.87226E-03 ppm1      7.995 ppm2      2.910 CV     1
 ASSI {  932}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HG3 ))
      4.900     3.100     1.100 peak   932 spectrum    1 weight  0.10000E+01 volume  0.37429E-03 ppm1      8.006 ppm2      2.326 CV     1
 ASSI {  932}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 82   and name HG3 ))
      4.900     3.100     1.100 peak   932 spectrum    1 weight  0.10000E+01 volume  0.37429E-03 ppm1      8.006 ppm2      2.326 CV     1
 ASSI {  934}
   (( segid "A   " and resid 75   and name HN  ))
   (  segid "A   " and resid 74   and name HD1%)
      4.700     2.800     1.300 peak   934 spectrum    1 weight  0.10000E+01 volume  0.73465E-03 ppm1      8.287 ppm2     -0.076 CV     1
 ASSI {  934}
   (( segid "B   " and resid 75   and name HN  ))
   (  segid "B   " and resid 74   and name HD1%)
      4.700     2.800     1.300 peak   934 spectrum    1 weight  0.10000E+01 volume  0.73465E-03 ppm1      8.287 ppm2     -0.076 CV     1
 ASSI {  935}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.56033E-02 ppm1      7.649 ppm2      1.720 CV     1
 OR {  935}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HB3 ))
 ASSI {  935}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.56033E-02 ppm1      7.649 ppm2      1.720 CV     1
 OR {  935}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HB3 ))
 ASSI {  938}
   (( segid "A   " and resid 29   and name HN  ))
   (  segid "A   " and resid 25   and name HD1%)
      5.100     3.300     0.900 peak   938 spectrum    1 weight  0.10000E+01 volume  0.41934E-03 ppm1      7.649 ppm2      0.573 CV     1
 ASSI {  938}
   (( segid "B   " and resid 29   and name HN  ))
   (  segid "B   " and resid 25   and name HD1%)
      5.100     3.300     0.900 peak   938 spectrum    1 weight  0.10000E+01 volume  0.41934E-03 ppm1      7.649 ppm2      0.573 CV     1
 ASSI {  939}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.87537E-03 ppm1      7.649 ppm2      9.250 CV     1
 ASSI {  939}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.87537E-03 ppm1      7.649 ppm2      9.250 CV     1
 ASSI {  941}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.46922E-02 ppm1      7.649 ppm2      9.056 CV     1
 ASSI {  941}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.46922E-02 ppm1      7.649 ppm2      9.056 CV     1
 ASSI {  942}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak   942 spectrum    1 weight  0.10000E+01 volume  0.33927E-02 ppm1      7.649 ppm2      4.511 CV     1
 ASSI {  942}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak   942 spectrum    1 weight  0.10000E+01 volume  0.33927E-02 ppm1      7.649 ppm2      4.511 CV     1
 ASSI {  943}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 26   and name HB3 ))
      4.400     2.400     1.600 peak   943 spectrum    1 weight  0.10000E+01 volume  0.72147E-03 ppm1      7.649 ppm2      4.317 CV     1
 ASSI {  943}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 26   and name HB3 ))
      4.400     2.400     1.600 peak   943 spectrum    1 weight  0.10000E+01 volume  0.72147E-03 ppm1      7.649 ppm2      4.317 CV     1
 ASSI {  944}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.73081E-03 ppm1      7.649 ppm2      4.078 CV     1
 ASSI {  944}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.73081E-03 ppm1      7.649 ppm2      4.078 CV     1
 ASSI {  945}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   945 spectrum    1 weight  0.10000E+01 volume  0.12664E-02 ppm1      7.649 ppm2      3.754 CV     1
 ASSI {  945}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
      3.300     1.400     1.400 peak   945 spectrum    1 weight  0.10000E+01 volume  0.12664E-02 ppm1      7.649 ppm2      3.754 CV     1
 ASSI {  946}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HB3 ))
      3.200     1.300     1.300 peak   946 spectrum    1 weight  0.10000E+01 volume  0.47355E-02 ppm1      7.649 ppm2      2.953 CV     1
 ASSI {  946}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 29   and name HB3 ))
      3.200     1.300     1.300 peak   946 spectrum    1 weight  0.10000E+01 volume  0.47355E-02 ppm1      7.649 ppm2      2.953 CV     1
 ASSI {  947}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HB2 ))
      2.400     0.700     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.33711E-02 ppm1      7.649 ppm2      2.564 CV     1
 ASSI {  947}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 29   and name HB2 ))
      2.400     0.700     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.33711E-02 ppm1      7.649 ppm2      2.564 CV     1
 ASSI {  948}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HG13))
      2.300     0.700     0.700 peak   948 spectrum    1 weight  0.10000E+01 volume  0.39394E-02 ppm1      7.746 ppm2      1.720 CV     1
 ASSI {  948}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 40   and name HG13))
      2.300     0.700     0.700 peak   948 spectrum    1 weight  0.10000E+01 volume  0.39394E-02 ppm1      7.746 ppm2      1.720 CV     1
 ASSI {  949}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
      3.300     1.300     1.300 peak   949 spectrum    1 weight  0.10000E+01 volume  0.51143E-02 ppm1      7.746 ppm2      0.768 CV     1
 ASSI {  949}
   (( segid "B   " and resid 40   and name HN  ))
   (  segid "B   " and resid 40   and name HD1%)
      3.300     1.300     1.300 peak   949 spectrum    1 weight  0.10000E+01 volume  0.51143E-02 ppm1      7.746 ppm2      0.768 CV     1
 ASSI {  950}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      3.100     1.200     1.200 peak   950 spectrum    1 weight  0.10000E+01 volume  0.52437E-02 ppm1      7.746 ppm2      0.681 CV     1
 ASSI {  950}
   (( segid "B   " and resid 40   and name HN  ))
   (  segid "B   " and resid 40   and name HG2%)
      3.100     1.200     1.200 peak   950 spectrum    1 weight  0.10000E+01 volume  0.52437E-02 ppm1      7.746 ppm2      0.681 CV     1
 ASSI {  951}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 37   and name HA  ))
      4.500     2.600     1.500 peak   951 spectrum    1 weight  0.10000E+01 volume  0.59485E-03 ppm1      7.746 ppm2      5.247 CV     1
 ASSI {  951}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 37   and name HA  ))
      4.500     2.600     1.500 peak   951 spectrum    1 weight  0.10000E+01 volume  0.59485E-03 ppm1      7.746 ppm2      5.247 CV     1
 ASSI {  952}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 38   and name HA  ))
      3.800     1.800     1.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.84253E-03 ppm1      7.746 ppm2      4.641 CV     1
 ASSI {  952}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 38   and name HA  ))
      3.800     1.800     1.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.84253E-03 ppm1      7.746 ppm2      4.641 CV     1
 ASSI {  953}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   953 spectrum    1 weight  0.10000E+01 volume  0.24984E-02 ppm1      7.746 ppm2      4.295 CV     1
 ASSI {  953}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   953 spectrum    1 weight  0.10000E+01 volume  0.24984E-02 ppm1      7.746 ppm2      4.295 CV     1
 ASSI {  956}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak   956 spectrum    1 weight  0.10000E+01 volume  0.24696E-02 ppm1      7.746 ppm2      2.629 CV     1
 ASSI {  956}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 37   and name HB2 ))
      3.300     1.400     1.400 peak   956 spectrum    1 weight  0.10000E+01 volume  0.24696E-02 ppm1      7.746 ppm2      2.629 CV     1
 ASSI {  957}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      3.200     1.300     1.300 peak   957 spectrum    1 weight  0.10000E+01 volume  0.18716E-02 ppm1      7.757 ppm2      4.490 CV     1
 ASSI {  957}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 39   and name HA  ))
      3.200     1.300     1.300 peak   957 spectrum    1 weight  0.10000E+01 volume  0.18716E-02 ppm1      7.757 ppm2      4.490 CV     1
 ASSI {  958}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 84   and name HD2 ))
      4.800     2.900     1.200 peak   958 spectrum    1 weight  0.10000E+01 volume  0.47569E-03 ppm1      7.995 ppm2      3.343 CV     1
 ASSI {  958}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 84   and name HD2 ))
      4.800     2.900     1.200 peak   958 spectrum    1 weight  0.10000E+01 volume  0.47569E-03 ppm1      7.995 ppm2      3.343 CV     1
 ASSI {  959}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 80   and name HB2 ))
      3.900     1.900     1.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.69388E-03 ppm1      7.995 ppm2      2.629 CV     1
 ASSI {  959}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 80   and name HB2 ))
      3.900     1.900     1.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.69388E-03 ppm1      7.995 ppm2      2.629 CV     1
 ASSI {  963}
   (( segid "A   " and resid 107  and name HN  ))
   (  segid "A   " and resid 107  and name HD% )
      2.800     1.000     1.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.54067E-02 ppm1      8.363 ppm2      7.563 CV     1
 ASSI {  963}
   (( segid "B   " and resid 107  and name HN  ))
   (  segid "B   " and resid 107  and name HD% )
      2.800     1.000     1.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.54067E-02 ppm1      8.363 ppm2      7.563 CV     1
 ASSI {  964}
   (( segid "A   " and resid 107  and name HN  ))
   (  segid "A   " and resid 107  and name HE% )
      4.400     2.400     1.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.75837E-03 ppm1      8.363 ppm2      7.086 CV     1
 ASSI {  964}
   (( segid "B   " and resid 107  and name HN  ))
   (  segid "B   " and resid 107  and name HE% )
      4.400     2.400     1.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.75837E-03 ppm1      8.363 ppm2      7.086 CV     1
 ASSI {  965}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak   965 spectrum    1 weight  0.10000E+01 volume  0.18661E-02 ppm1      8.363 ppm2      4.706 CV     1
 ASSI {  965}
   (( segid "B   " and resid 107  and name HN  ))
   (( segid "B   " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak   965 spectrum    1 weight  0.10000E+01 volume  0.18661E-02 ppm1      8.363 ppm2      4.706 CV     1
 ASSI {  967}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 106  and name HA2 ))
      4.400     2.400     1.600 peak   967 spectrum    1 weight  0.10000E+01 volume  0.12513E-02 ppm1      8.363 ppm2      4.360 CV     1
 ASSI {  967}
   (( segid "B   " and resid 107  and name HN  ))
   (( segid "B   " and resid 106  and name HA2 ))
      4.300     2.400     1.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.12513E-02 ppm1      8.363 ppm2      4.360 CV     1
 ASSI {  968}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 106  and name HA1 ))
      3.200     1.300     1.300 peak   968 spectrum    1 weight  0.10000E+01 volume  0.93508E-03 ppm1      8.363 ppm2      3.711 CV     1
 ASSI {  968}
   (( segid "B   " and resid 107  and name HN  ))
   (( segid "B   " and resid 106  and name HA1 ))
      3.200     1.300     1.300 peak   968 spectrum    1 weight  0.10000E+01 volume  0.93508E-03 ppm1      8.363 ppm2      3.711 CV     1
 ASSI {  969}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 107  and name HB2 ))
      2.900     1.100     1.100 peak   969 spectrum    1 weight  0.10000E+01 volume  0.15865E-02 ppm1      8.363 ppm2      2.650 CV     1
 ASSI {  969}
   (( segid "B   " and resid 107  and name HN  ))
   (( segid "B   " and resid 107  and name HB2 ))
      2.900     1.100     1.100 peak   969 spectrum    1 weight  0.10000E+01 volume  0.15865E-02 ppm1      8.363 ppm2      2.650 CV     1
 ASSI {  972}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 14   and name HB3 ))
      3.500     1.500     1.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.34837E-02 ppm1      8.547 ppm2      2.455 CV     1
 ASSI {  972}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HB3 ))
      3.500     1.500     1.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.34837E-02 ppm1      8.547 ppm2      2.455 CV     1
 ASSI {  973}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 14   and name HG2 ))
      3.400     1.500     1.500 peak   973 spectrum    1 weight  0.10000E+01 volume  0.18184E-02 ppm1      8.547 ppm2      2.304 CV     1
 ASSI {  973}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HG2 ))
      3.400     1.500     1.500 peak   973 spectrum    1 weight  0.10000E+01 volume  0.18184E-02 ppm1      8.547 ppm2      2.304 CV     1
 ASSI {  974}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.25511E-02 ppm1      8.547 ppm2      1.979 CV     1
 ASSI {  974}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.25511E-02 ppm1      8.547 ppm2      1.979 CV     1
 ASSI {  976}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 15   and name HB  ))
      4.200     2.200     1.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.11480E-02 ppm1      8.547 ppm2      1.720 CV     1
 ASSI {  976}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 15   and name HB  ))
      4.200     2.200     1.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.11480E-02 ppm1      8.547 ppm2      1.720 CV     1
 ASSI {  979}
   (( segid "A   " and resid 14   and name HN  ))
   (  segid "A   " and resid 15   and name HG2%)
      4.100     2.100     1.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.14930E-02 ppm1      8.547 ppm2      0.443 CV     1
 ASSI {  979}
   (( segid "B   " and resid 14   and name HN  ))
   (  segid "B   " and resid 15   and name HG2%)
      4.100     2.100     1.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.14930E-02 ppm1      8.547 ppm2      0.443 CV     1
 ASSI {  983}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   983 spectrum    1 weight  0.10000E+01 volume  0.25223E-02 ppm1      8.547 ppm2      4.122 CV     1
 ASSI {  983}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   983 spectrum    1 weight  0.10000E+01 volume  0.25223E-02 ppm1      8.547 ppm2      4.122 CV     1
 ASSI {  984}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.36278E-02 ppm1      8.547 ppm2      4.035 CV     1
 ASSI {  984}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.36278E-02 ppm1      8.547 ppm2      4.035 CV     1
 ASSI {  985}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 14   and name HG3 ))
      2.700     0.900     0.900 peak   985 spectrum    1 weight  0.10000E+01 volume  0.46226E-02 ppm1      8.547 ppm2      2.867 CV     1
 ASSI {  985}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HG3 ))
      2.700     0.900     0.900 peak   985 spectrum    1 weight  0.10000E+01 volume  0.46226E-02 ppm1      8.547 ppm2      2.867 CV     1
 ASSI {  986}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 31   and name HN  ))
      3.700     1.700     1.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.13372E-02 ppm1      7.638 ppm2      8.753 CV     1
 ASSI {  986}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 31   and name HN  ))
      3.700     1.700     1.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.13372E-02 ppm1      7.638 ppm2      8.753 CV     1
 ASSI {  987}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HG2 ))
      4.800     2.800     1.200 peak   987 spectrum    1 weight  0.10000E+01 volume  0.45820E-03 ppm1      7.649 ppm2      1.244 CV     1
 ASSI {  987}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HG2 ))
      4.800     2.800     1.200 peak   987 spectrum    1 weight  0.10000E+01 volume  0.45820E-03 ppm1      7.649 ppm2      1.244 CV     1
 ASSI {  988}
   (( segid "A   " and resid 29   and name HN  ))
   (  segid "A   " and resid 25   and name HD2%)
      4.900     3.000     1.100 peak   988 spectrum    1 weight  0.10000E+01 volume  0.52987E-03 ppm1      7.649 ppm2      0.941 CV     1
 ASSI {  988}
   (( segid "B   " and resid 29   and name HN  ))
   (  segid "B   " and resid 25   and name HD2%)
      4.900     3.000     1.100 peak   988 spectrum    1 weight  0.10000E+01 volume  0.52987E-03 ppm1      7.649 ppm2      0.941 CV     1
 ASSI {  989}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      4.500     2.500     1.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.67974E-03 ppm1      7.649 ppm2      3.949 CV     1
 ASSI {  989}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
      4.500     2.500     1.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.67974E-03 ppm1      7.649 ppm2      3.949 CV     1
 ASSI {  990}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.67037E-03 ppm1      7.746 ppm2      7.130 CV     1
 ASSI {  990}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.67037E-03 ppm1      7.746 ppm2      7.130 CV     1
 ASSI {  991}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 37   and name HB3 ))
      3.300     1.400     1.400 peak   991 spectrum    1 weight  0.10000E+01 volume  0.81881E-03 ppm1      7.746 ppm2      2.910 CV     1
 ASSI {  991}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 37   and name HB3 ))
      3.300     1.400     1.400 peak   991 spectrum    1 weight  0.10000E+01 volume  0.81881E-03 ppm1      7.746 ppm2      2.910 CV     1
 ASSI {  992}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HB  ))
      2.200     0.600     0.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.86316E-02 ppm1      7.757 ppm2      1.850 CV     1
 ASSI {  992}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 40   and name HB  ))
      2.200     0.600     0.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.86316E-02 ppm1      7.757 ppm2      1.850 CV     1
 ASSI {  993}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 107  and name HB3 ))
      3.500     1.600     1.600 peak   993 spectrum    1 weight  0.10000E+01 volume  0.21018E-02 ppm1      8.363 ppm2      2.932 CV     1
 ASSI {  993}
   (( segid "B   " and resid 107  and name HN  ))
   (( segid "B   " and resid 107  and name HB3 ))
      3.500     1.600     1.600 peak   993 spectrum    1 weight  0.10000E+01 volume  0.21018E-02 ppm1      8.363 ppm2      2.932 CV     1
 ASSI {  995}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 79   and name HG  ))
      3.500     1.500     1.500 peak   995 spectrum    1 weight  0.10000E+01 volume  0.27356E-02 ppm1      8.601 ppm2      1.417 CV     1
 ASSI {  995}
   (( segid "B   " and resid 80   and name HN  ))
   (( segid "B   " and resid 79   and name HG  ))
      3.500     1.500     1.500 peak   995 spectrum    1 weight  0.10000E+01 volume  0.27356E-02 ppm1      8.601 ppm2      1.417 CV     1
 ASSI {  996}
   (( segid "A   " and resid 80   and name HN  ))
   (  segid "A   " and resid 79   and name HD2%)
      3.300     1.400     1.400 peak   996 spectrum    1 weight  0.10000E+01 volume  0.24144E-02 ppm1      8.601 ppm2      0.876 CV     1
 ASSI {  996}
   (( segid "B   " and resid 80   and name HN  ))
   (  segid "B   " and resid 79   and name HD2%)
      3.300     1.400     1.400 peak   996 spectrum    1 weight  0.10000E+01 volume  0.24144E-02 ppm1      8.601 ppm2      0.876 CV     1
 ASSI {  997}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak   997 spectrum    1 weight  0.10000E+01 volume  0.18709E-02 ppm1      8.601 ppm2      5.009 CV     1
 ASSI {  997}
   (( segid "B   " and resid 80   and name HN  ))
   (( segid "B   " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak   997 spectrum    1 weight  0.10000E+01 volume  0.18709E-02 ppm1      8.601 ppm2      5.009 CV     1
 ASSI {  998}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 79   and name HA  ))
      2.100     0.500     0.500 peak   998 spectrum    1 weight  0.10000E+01 volume  0.78548E-02 ppm1      8.601 ppm2      4.273 CV     1
 ASSI {  998}
   (( segid "B   " and resid 80   and name HN  ))
   (( segid "B   " and resid 79   and name HA  ))
      2.100     0.500     0.500 peak   998 spectrum    1 weight  0.10000E+01 volume  0.78548E-02 ppm1      8.601 ppm2      4.273 CV     1
 ASSI { 1000}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 80   and name HB3 ))
      3.200     1.300     1.300 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.45099E-02 ppm1      8.601 ppm2      2.910 CV     1
 ASSI { 1000}
   (( segid "B   " and resid 80   and name HN  ))
   (( segid "B   " and resid 80   and name HB3 ))
      3.200     1.300     1.300 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.45099E-02 ppm1      8.601 ppm2      2.910 CV     1
 ASSI { 1001}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 80   and name HB2 ))
      2.500     0.800     0.800 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.34358E-02 ppm1      8.601 ppm2      2.629 CV     1
 ASSI { 1001}
   (( segid "B   " and resid 80   and name HN  ))
   (( segid "B   " and resid 80   and name HB2 ))
      2.500     0.800     0.800 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.34358E-02 ppm1      8.601 ppm2      2.629 CV     1
 ASSI { 1005}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 5    and name HB3 ))
      3.000     1.100     1.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.22526E-02 ppm1      7.790 ppm2      2.066 CV     1
 OR { 1005}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 5    and name HB2 ))
 ASSI { 1005}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 5    and name HB3 ))
      3.000     1.100     1.100 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.22526E-02 ppm1      7.790 ppm2      2.066 CV     1
 OR { 1005}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 5    and name HB2 ))
 ASSI { 1007}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HB2 ))
      2.300     0.700     0.700 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.76701E-02 ppm1      7.790 ppm2      1.828 CV     1
 OR { 1007}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HB3 ))
 ASSI { 1007}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 6    and name HB2 ))
      2.300     0.700     0.700 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.76701E-02 ppm1      7.790 ppm2      1.828 CV     1
 OR { 1007}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 6    and name HB3 ))
 ASSI { 1008}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HD3 ))
      4.300     2.300     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.14216E-02 ppm1      7.790 ppm2      1.611 CV     1
 OR { 1008}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HD2 ))
 ASSI { 1008}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 6    and name HD3 ))
      4.300     2.300     1.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.14216E-02 ppm1      7.790 ppm2      1.611 CV     1
 OR { 1008}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 6    and name HD2 ))
 ASSI { 1009}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HG3 ))
      3.800     1.800     1.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.10581E-02 ppm1      7.790 ppm2      1.460 CV     1
 ASSI { 1009}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 6    and name HG3 ))
      3.800     1.800     1.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.10581E-02 ppm1      7.790 ppm2      1.460 CV     1
 ASSI { 1011}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HG2 ))
      2.900     1.100     1.100 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.87155E-03 ppm1      7.790 ppm2      1.373 CV     1
 ASSI { 1011}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 6    and name HG2 ))
      2.900     1.100     1.100 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.87155E-03 ppm1      7.790 ppm2      1.373 CV     1
 ASSI { 1013}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      3.400     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.94683E-03 ppm1      7.790 ppm2      4.425 CV     1
 ASSI { 1013}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 3    and name HA  ))
      3.400     1.400     1.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.94683E-03 ppm1      7.790 ppm2      4.425 CV     1
 ASSI { 1015}
   (( segid "A   " and resid 128  and name HN  ))
   (  segid "A   " and resid 128  and name HD2%)
      6.000     6.000     0.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      9.056 ppm2      0.703 CV     1
 ASSI { 1015}
   (( segid "B   " and resid 128  and name HN  ))
   (  segid "B   " and resid 128  and name HD2%)
      6.000     6.000     0.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      9.056 ppm2      0.703 CV     1
 ASSI { 1016}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 107  and name HB2 ))
      4.400     2.400     1.600 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.65816E-03 ppm1      7.606 ppm2      2.629 CV     1
 ASSI { 1016}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 107  and name HB2 ))
      4.400     2.400     1.600 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.65816E-03 ppm1      7.606 ppm2      2.629 CV     1
 ASSI { 1017}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 81   and name HB2 ))
      4.000     2.000     2.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.78596E-03 ppm1      7.617 ppm2      0.897 CV     1
 ASSI { 1017}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 81   and name HB2 ))
      4.000     2.000     2.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.78596E-03 ppm1      7.617 ppm2      0.897 CV     1
 ASSI { 1019}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.81737E-03 ppm1      7.638 ppm2      5.637 CV     1
 ASSI { 1019}
   (( segid "B   " and resid 46   and name HN  ))
   (( segid "B   " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.81737E-03 ppm1      7.638 ppm2      5.637 CV     1
 ASSI { 1020}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 5    and name HG2 ))
      4.600     2.600     1.400 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.60374E-03 ppm1      7.790 ppm2      2.304 CV     1
 ASSI { 1020}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 5    and name HG2 ))
      4.600     2.600     1.400 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.60374E-03 ppm1      7.790 ppm2      2.304 CV     1
 ASSI { 1022}
   (( segid "A   " and resid 104  and name HN  ))
   (  segid "A   " and resid 105  and name HD% )
      3.800     1.800     1.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.10130E-02 ppm1      8.060 ppm2      7.433 CV     1
 ASSI { 1022}
   (( segid "B   " and resid 104  and name HN  ))
   (  segid "B   " and resid 105  and name HD% )
      3.800     1.800     1.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.10130E-02 ppm1      8.060 ppm2      7.433 CV     1
 ASSI { 1023}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 104  and name HA  ))
      2.500     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.64232E-02 ppm1      8.060 ppm2      4.143 CV     1
 ASSI { 1023}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 104  and name HA  ))
      2.500     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.64232E-02 ppm1      8.060 ppm2      4.143 CV     1
 ASSI { 1024}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 104  and name HG2 ))
      3.000     1.100     1.100 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.21339E-02 ppm1      8.071 ppm2      2.304 CV     1
 ASSI { 1024}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 104  and name HG2 ))
      3.000     1.100     1.100 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.21339E-02 ppm1      8.071 ppm2      2.304 CV     1
 ASSI { 1025}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 104  and name HB2 ))
      2.200     0.600     0.600 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.52581E-02 ppm1      8.071 ppm2      2.109 CV     1
 ASSI { 1025}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 104  and name HB2 ))
      2.200     0.600     0.600 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.52581E-02 ppm1      8.071 ppm2      2.109 CV     1
 ASSI { 1026}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 103  and name HB2 ))
      3.400     1.400     1.400 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.18186E-02 ppm1      8.071 ppm2      2.001 CV     1
 ASSI { 1026}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 103  and name HB2 ))
      3.400     1.400     1.400 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.18186E-02 ppm1      8.071 ppm2      2.001 CV     1
 ASSI { 1027}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 103  and name HG3 ))
      3.100     1.200     1.200 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.59223E-03 ppm1      8.071 ppm2      1.893 CV     1
 ASSI { 1027}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 103  and name HG3 ))
      3.100     1.200     1.200 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.59223E-03 ppm1      8.071 ppm2      1.893 CV     1
 ASSI { 1028}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 103  and name HN  ))
      2.300     0.700     0.700 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.61955E-02 ppm1      8.071 ppm2      8.168 CV     1
 ASSI { 1028}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 103  and name HN  ))
      2.300     0.700     0.700 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.61955E-02 ppm1      8.071 ppm2      8.168 CV     1
 ASSI { 1030}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 103  and name HA  ))
      3.300     1.400     1.400 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.88593E-03 ppm1      8.071 ppm2      4.555 CV     1
 ASSI { 1030}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 103  and name HA  ))
      3.300     1.400     1.400 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.88593E-03 ppm1      8.071 ppm2      4.555 CV     1
 ASSI { 1032}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 104  and name HB3 ))
      3.300     1.400     1.400 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.45722E-02 ppm1      8.071 ppm2      2.693 CV     1
 ASSI { 1032}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 104  and name HB3 ))
      3.300     1.400     1.400 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.45722E-02 ppm1      8.071 ppm2      2.693 CV     1
 ASSI { 1033}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 104  and name HG3 ))
      3.200     1.300     1.300 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.46610E-02 ppm1      8.071 ppm2      2.585 CV     1
 ASSI { 1033}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 104  and name HG3 ))
      3.200     1.300     1.300 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.46610E-02 ppm1      8.071 ppm2      2.585 CV     1
 ASSI { 1035}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 88   and name HB3 ))
      3.000     1.100     1.100 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.13825E-02 ppm1      8.158 ppm2      2.845 CV     1
 ASSI { 1035}
   (( segid "B   " and resid 88   and name HN  ))
   (( segid "B   " and resid 88   and name HB3 ))
      3.000     1.100     1.100 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.13825E-02 ppm1      8.158 ppm2      2.845 CV     1
 ASSI { 1036}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 88   and name HB2 ))
      3.100     1.200     1.200 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.11401E-02 ppm1      8.168 ppm2      2.455 CV     1
 ASSI { 1036}
   (( segid "B   " and resid 88   and name HN  ))
   (( segid "B   " and resid 88   and name HB2 ))
      3.100     1.200     1.200 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.11401E-02 ppm1      8.168 ppm2      2.455 CV     1
 ASSI { 1037}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 87   and name HN  ))
      3.700     1.700     1.700 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.85907E-03 ppm1      8.168 ppm2      9.142 CV     1
 ASSI { 1037}
   (( segid "B   " and resid 88   and name HN  ))
   (( segid "B   " and resid 87   and name HN  ))
      3.700     1.700     1.700 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.85907E-03 ppm1      8.168 ppm2      9.142 CV     1
 ASSI { 1038}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 88   and name HA  ))
      2.900     1.100     1.100 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.12137E-02 ppm1      8.168 ppm2      5.507 CV     1
 ASSI { 1038}
   (( segid "B   " and resid 88   and name HN  ))
   (( segid "B   " and resid 88   and name HA  ))
      2.900     1.100     1.100 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.12137E-02 ppm1      8.168 ppm2      5.507 CV     1
 ASSI { 1039}
   (( segid "A   " and resid 88   and name HN  ))
   (( segid "A   " and resid 87   and name HA  ))
      2.300     0.600     0.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.50951E-02 ppm1      8.168 ppm2      4.901 CV     1
 ASSI { 1039}
   (( segid "B   " and resid 88   and name HN  ))
   (( segid "B   " and resid 87   and name HA  ))
      2.300     0.600     0.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.50951E-02 ppm1      8.168 ppm2      4.901 CV     1
 ASSI { 1040}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 85   and name HB  ))
      2.300     0.700     0.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.49296E-02 ppm1      8.764 ppm2      1.958 CV     1
 ASSI { 1040}
   (( segid "B   " and resid 86   and name HN  ))
   (( segid "B   " and resid 85   and name HB  ))
      2.300     0.700     0.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.49296E-02 ppm1      8.764 ppm2      1.958 CV     1
 ASSI { 1041}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 86   and name HB  ))
      2.700     0.900     0.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.32392E-02 ppm1      8.764 ppm2      1.893 CV     1
 ASSI { 1041}
   (( segid "B   " and resid 86   and name HN  ))
   (( segid "B   " and resid 86   and name HB  ))
      2.700     0.900     0.900 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.32392E-02 ppm1      8.764 ppm2      1.893 CV     1
 ASSI { 1045}
   (( segid "A   " and resid 86   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      3.100     1.200     1.200 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.25919E-02 ppm1      8.764 ppm2      0.659 CV     1
 ASSI { 1045}
   (( segid "B   " and resid 86   and name HN  ))
   (  segid "B   " and resid 40   and name HG2%)
      3.100     1.200     1.200 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.25919E-02 ppm1      8.764 ppm2      0.659 CV     1
 ASSI { 1047}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 87   and name HN  ))
      3.300     1.400     1.400 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.17426E-02 ppm1      8.764 ppm2      9.142 CV     1
 ASSI { 1047}
   (( segid "B   " and resid 86   and name HN  ))
   (( segid "B   " and resid 87   and name HN  ))
      3.300     1.400     1.400 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.17426E-02 ppm1      8.764 ppm2      9.142 CV     1
 ASSI { 1048}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 85   and name HA  ))
      2.400     0.700     0.700 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.48863E-02 ppm1      8.764 ppm2      5.269 CV     1
 ASSI { 1048}
   (( segid "B   " and resid 86   and name HN  ))
   (( segid "B   " and resid 85   and name HA  ))
      2.400     0.700     0.700 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.48863E-02 ppm1      8.764 ppm2      5.269 CV     1
 ASSI { 1049}
   (( segid "A   " and resid 86   and name HN  ))
   (  segid "A   " and resid 86   and name HG2%)
      6.000     6.000     0.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      8.774 ppm2      0.854 CV     1
 ASSI { 1049}
   (( segid "B   " and resid 86   and name HN  ))
   (  segid "B   " and resid 86   and name HG2%)
      6.000     6.000     0.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      8.774 ppm2      0.854 CV     1
 ASSI { 1052}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
      3.200     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.10593E-02 ppm1      9.056 ppm2      1.785 CV     1
 ASSI { 1052}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 58   and name HB2 ))
      3.200     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.10593E-02 ppm1      9.056 ppm2      1.785 CV     1
 ASSI { 1053}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 128  and name HB2 ))
      2.400     0.700     0.700 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.35484E-02 ppm1      9.056 ppm2      1.309 CV     1
 ASSI { 1053}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 128  and name HB2 ))
      2.400     0.700     0.700 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.35484E-02 ppm1      9.056 ppm2      1.309 CV     1
 ASSI { 1055}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 56   and name HG2 ))
      5.300     3.500     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.58527E-03 ppm1      9.056 ppm2      0.962 CV     1
 ASSI { 1055}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 56   and name HG2 ))
      5.300     3.500     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.58527E-03 ppm1      9.056 ppm2      0.962 CV     1
 ASSI { 1056}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 128  and name HB3 ))
      6.000     6.000     0.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      9.056 ppm2      1.395 CV     1
 ASSI { 1056}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 128  and name HB3 ))
      6.000     6.000     0.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      9.056 ppm2      1.395 CV     1
 ASSI { 1058}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 127  and name HA  ))
      2.400     0.700     0.700 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.44547E-02 ppm1      9.056 ppm2      5.139 CV     1
 ASSI { 1058}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 127  and name HA  ))
      2.400     0.700     0.700 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.44547E-02 ppm1      9.056 ppm2      5.139 CV     1
 ASSI { 1059}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 128  and name HA  ))
      2.900     1.100     1.100 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.18061E-02 ppm1      9.056 ppm2      4.663 CV     1
 ASSI { 1059}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 128  and name HA  ))
      2.900     1.100     1.100 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.18061E-02 ppm1      9.056 ppm2      4.663 CV     1
 ASSI { 1061}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.58454E-03 ppm1      9.056 ppm2      4.014 CV     1
 ASSI { 1061}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 57   and name HA  ))
      4.100     2.100     1.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.58454E-03 ppm1      9.056 ppm2      4.014 CV     1
 ASSI { 1062}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 127  and name HB3 ))
      2.600     0.900     0.900 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.44907E-02 ppm1      9.056 ppm2      3.689 CV     1
 OR { 1062}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 127  and name HB2 ))
 ASSI { 1062}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 127  and name HB3 ))
      2.600     0.900     0.900 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.44907E-02 ppm1      9.056 ppm2      3.689 CV     1
 OR { 1062}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 127  and name HB2 ))
 ASSI { 1065}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 87   and name HB  ))
      3.900     1.900     1.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.95858E-03 ppm1      9.142 ppm2      1.850 CV     1
 ASSI { 1065}
   (( segid "B   " and resid 87   and name HN  ))
   (( segid "B   " and resid 87   and name HB  ))
      3.900     1.900     1.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.95858E-03 ppm1      9.142 ppm2      1.850 CV     1
 ASSI { 1067}
   (( segid "A   " and resid 87   and name HN  ))
   (  segid "A   " and resid 87   and name HG2%)
      5.100     3.300     0.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      9.142 ppm2      0.768 CV     1
 ASSI { 1067}
   (( segid "B   " and resid 87   and name HN  ))
   (  segid "B   " and resid 87   and name HG2%)
      5.100     3.300     0.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      9.142 ppm2      0.768 CV     1
 ASSI { 1070}
   (( segid "A   " and resid 87   and name HN  ))
   (( segid "A   " and resid 86   and name HA  ))
      2.100     0.600     0.600 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.53277E-02 ppm1      9.142 ppm2      4.836 CV     1
 ASSI { 1070}
   (( segid "B   " and resid 87   and name HN  ))
   (( segid "B   " and resid 86   and name HA  ))
      2.100     0.600     0.600 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.53277E-02 ppm1      9.142 ppm2      4.836 CV     1
 ASSI { 1071}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 108  and name HB2 ))
      2.100     0.600     0.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.86173E-02 ppm1      7.617 ppm2      1.828 CV     1
 OR { 1071}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 108  and name HB3 ))
 ASSI { 1071}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 108  and name HB2 ))
      2.100     0.600     0.600 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.86173E-02 ppm1      7.617 ppm2      1.828 CV     1
 OR { 1071}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 108  and name HB3 ))
 ASSI { 1072}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 107  and name HN  ))
      4.300     2.300     1.700 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.57544E-03 ppm1      7.617 ppm2      8.342 CV     1
 ASSI { 1072}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 107  and name HN  ))
      4.300     2.300     1.700 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.57544E-03 ppm1      7.617 ppm2      8.342 CV     1
 ASSI { 1073}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 108  and name HG3 ))
      3.600     1.600     1.600 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.24480E-02 ppm1      7.617 ppm2      1.590 CV     1
 ASSI { 1073}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 108  and name HG3 ))
      3.600     1.600     1.600 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.24480E-02 ppm1      7.617 ppm2      1.590 CV     1
 ASSI { 1074}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 108  and name HG2 ))
      4.000     2.000     2.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.15570E-02 ppm1      7.617 ppm2      1.395 CV     1
 ASSI { 1074}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 108  and name HG2 ))
      4.000     2.000     2.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.15570E-02 ppm1      7.617 ppm2      1.395 CV     1
 ASSI { 1075}
   (( segid "A   " and resid 108  and name HN  ))
   (  segid "A   " and resid 110  and name HD1%)
      3.900     1.900     1.900 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.93605E-03 ppm1      7.617 ppm2      0.746 CV     1
 ASSI { 1075}
   (( segid "B   " and resid 108  and name HN  ))
   (  segid "B   " and resid 110  and name HD1%)
      3.900     1.900     1.900 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.93605E-03 ppm1      7.617 ppm2      0.746 CV     1
 ASSI { 1077}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 107  and name HA  ))
      2.300     0.700     0.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.66680E-02 ppm1      7.617 ppm2      4.706 CV     1
 ASSI { 1077}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 107  and name HA  ))
      2.300     0.700     0.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.66680E-02 ppm1      7.617 ppm2      4.706 CV     1
 ASSI { 1078}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 108  and name HA  ))
      2.900     1.000     1.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.25008E-02 ppm1      7.617 ppm2      4.273 CV     1
 ASSI { 1078}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 108  and name HA  ))
      2.900     1.000     1.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.25008E-02 ppm1      7.617 ppm2      4.273 CV     1
 ASSI { 1080}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 81   and name HA  ))
      4.400     2.400     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.49919E-03 ppm1      7.617 ppm2      3.559 CV     1
 ASSI { 1080}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 81   and name HA  ))
      4.400     2.400     1.600 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.49919E-03 ppm1      7.617 ppm2      3.559 CV     1
 ASSI { 1082}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HB  ))
      4.200     2.200     1.800 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.53323E-03 ppm1      7.638 ppm2      2.304 CV     1
 ASSI { 1082}
   (( segid "B   " and resid 46   and name HN  ))
   (( segid "B   " and resid 45   and name HB  ))
      4.200     2.200     1.800 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.53323E-03 ppm1      7.638 ppm2      2.304 CV     1
 ASSI { 1084}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 47   and name HN  ))
      4.100     2.100     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.69748E-03 ppm1      7.638 ppm2      9.337 CV     1
 ASSI { 1084}
   (( segid "B   " and resid 46   and name HN  ))
   (( segid "B   " and resid 47   and name HN  ))
      4.100     2.100     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.69748E-03 ppm1      7.638 ppm2      9.337 CV     1
 ASSI { 1085}
   (( segid "A   " and resid 46   and name HN  ))
   (  segid "A   " and resid 45   and name HG2%)
      4.300     2.300     1.700 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.92094E-03 ppm1      7.638 ppm2      0.681 CV     1
 ASSI { 1085}
   (( segid "B   " and resid 46   and name HN  ))
   (  segid "B   " and resid 45   and name HG2%)
      4.300     2.300     1.700 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.92094E-03 ppm1      7.638 ppm2      0.681 CV     1
 ASSI { 1086}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      4.200     2.200     1.800 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.96386E-03 ppm1      7.638 ppm2      5.117 CV     1
 ASSI { 1086}
   (( segid "B   " and resid 46   and name HN  ))
   (( segid "B   " and resid 44   and name HA  ))
      4.200     2.200     1.800 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.96386E-03 ppm1      7.638 ppm2      5.117 CV     1
 ASSI { 1087}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.20421E-02 ppm1      7.638 ppm2      4.122 CV     1
 ASSI { 1087}
   (( segid "B   " and resid 46   and name HN  ))
   (( segid "B   " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.20421E-02 ppm1      7.638 ppm2      4.122 CV     1
 ASSI { 1088}
   (( segid "A   " and resid 46   and name HN  ))
   (  segid "A   " and resid 45   and name HG1%)
      5.200     3.300     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.53851E-03 ppm1      7.649 ppm2      0.854 CV     1
 ASSI { 1088}
   (( segid "B   " and resid 46   and name HN  ))
   (  segid "B   " and resid 45   and name HG1%)
      5.200     3.300     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.53851E-03 ppm1      7.649 ppm2      0.854 CV     1
 ASSI { 1091}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HN  ))
      3.300     1.300     1.300 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.22982E-02 ppm1      7.649 ppm2      8.731 CV     1
 ASSI { 1091}
   (( segid "B   " and resid 46   and name HN  ))
   (( segid "B   " and resid 45   and name HN  ))
      3.300     1.300     1.300 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.22982E-02 ppm1      7.649 ppm2      8.731 CV     1
 ASSI { 1092}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 14   and name HG2 ))
      4.700     2.800     1.300 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.67950E-03 ppm1      8.006 ppm2      2.304 CV     1
 ASSI { 1092}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 14   and name HG2 ))
      4.700     2.700     1.300 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.67950E-03 ppm1      8.006 ppm2      2.304 CV     1
 ASSI { 1094}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HB3 ))
      2.600     0.800     0.800 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.43924E-02 ppm1      8.006 ppm2      1.828 CV     1
 ASSI { 1094}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 12   and name HB3 ))
      2.600     0.800     0.800 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.43924E-02 ppm1      8.006 ppm2      1.828 CV     1
 ASSI { 1095}
   (( segid "A   " and resid 13   and name HN  ))
   (  segid "A   " and resid 13   and name HB% )
      2.200     0.600     0.600 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.12262E-01 ppm1      8.006 ppm2      1.525 CV     1
 ASSI { 1095}
   (( segid "B   " and resid 13   and name HN  ))
   (  segid "B   " and resid 13   and name HB% )
      2.200     0.600     0.600 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.12262E-01 ppm1      8.006 ppm2      1.525 CV     1
 ASSI { 1096}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.43637E-03 ppm1      8.006 ppm2      4.922 CV     1
 ASSI { 1096}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.43637E-03 ppm1      8.006 ppm2      4.922 CV     1
 ASSI { 1097}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 10   and name HB  ))
      4.200     2.200     1.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.51861E-03 ppm1      8.006 ppm2      4.295 CV     1
 ASSI { 1097}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 10   and name HB  ))
      4.200     2.200     1.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.51861E-03 ppm1      8.006 ppm2      4.295 CV     1
 ASSI { 1098}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.31745E-02 ppm1      8.006 ppm2      8.774 CV     1
 ASSI { 1098}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.31745E-02 ppm1      8.006 ppm2      8.774 CV     1
 ASSI { 1099}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.64089E-02 ppm1      8.006 ppm2      4.122 CV     1
 ASSI { 1099}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.64089E-02 ppm1      8.006 ppm2      4.122 CV     1
 ASSI { 1100}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
      4.400     2.400     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.85620E-03 ppm1      8.006 ppm2      4.035 CV     1
 ASSI { 1100}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 14   and name HA  ))
      4.400     2.400     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.85620E-03 ppm1      8.006 ppm2      4.035 CV     1
 ASSI { 1101}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.17640E-02 ppm1      8.006 ppm2      3.884 CV     1
 ASSI { 1101}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.17640E-02 ppm1      8.006 ppm2      3.884 CV     1
 ASSI { 1102}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 14   and name HG3 ))
      4.400     2.500     1.600 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.60804E-03 ppm1      8.006 ppm2      2.867 CV     1
 ASSI { 1102}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 14   and name HG3 ))
      4.400     2.400     1.600 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.60804E-03 ppm1      8.006 ppm2      2.867 CV     1
 ASSI { 1103}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 14   and name HB3 ))
      6.000     4.500     0.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.30979E-03 ppm1      8.017 ppm2      2.477 CV     1
 ASSI { 1103}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 14   and name HB3 ))
      6.000     4.500     0.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.30979E-03 ppm1      8.017 ppm2      2.477 CV     1
 ASSI { 1104}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 14   and name HB2 ))
      4.100     2.100     1.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.10025E-02 ppm1      8.017 ppm2      1.979 CV     1
 ASSI { 1104}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
      4.100     2.100     1.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.10025E-02 ppm1      8.017 ppm2      1.979 CV     1
 ASSI { 1105}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HB2 ))
      3.000     1.200     1.200 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.55530E-02 ppm1      8.017 ppm2      1.741 CV     1
 ASSI { 1105}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 12   and name HB2 ))
      3.000     1.200     1.200 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.55530E-02 ppm1      8.017 ppm2      1.741 CV     1
 ASSI { 1108}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.18131E-02 ppm1      8.017 ppm2      3.408 CV     1
 ASSI { 1108}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.18131E-02 ppm1      8.017 ppm2      3.408 CV     1
 ASSI { 1109}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.41311E-02 ppm1      8.017 ppm2      8.536 CV     1
 ASSI { 1109}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.41311E-02 ppm1      8.017 ppm2      8.536 CV     1
 ASSI { 1111}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HB3 ))
      3.200     1.300     1.300 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.16721E-02 ppm1      8.417 ppm2      2.455 CV     1
 ASSI { 1111}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HB3 ))
      3.200     1.300     1.300 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.16721E-02 ppm1      8.417 ppm2      2.455 CV     1
 ASSI { 1112}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HG2 ))
      5.400     3.700     0.600 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.27022E-03 ppm1      8.417 ppm2      2.304 CV     1
 ASSI { 1112}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HG2 ))
      5.400     3.700     0.600 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.27022E-03 ppm1      8.417 ppm2      2.304 CV     1
 ASSI { 1113}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.14189E-02 ppm1      8.417 ppm2      1.979 CV     1
 ASSI { 1113}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.14189E-02 ppm1      8.417 ppm2      1.979 CV     1
 ASSI { 1114}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
      3.900     1.900     1.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.16292E-02 ppm1      8.417 ppm2      1.850 CV     1
 OR { 1114}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 16   and name HB3 ))
 ASSI { 1114}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 16   and name HB2 ))
      3.900     1.900     1.900 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.16292E-02 ppm1      8.417 ppm2      1.850 CV     1
 OR { 1114}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 16   and name HB3 ))
 ASSI { 1115}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 15   and name HB  ))
      2.300     0.700     0.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.53301E-02 ppm1      8.417 ppm2      1.720 CV     1
 ASSI { 1115}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 15   and name HB  ))
      2.300     0.700     0.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.53301E-02 ppm1      8.417 ppm2      1.720 CV     1
 ASSI { 1116}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 12   and name HD3 ))
      4.100     2.100     1.900 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.10190E-02 ppm1      8.417 ppm2      1.611 CV     1
 OR { 1116}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 12   and name HD2 ))
 ASSI { 1116}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 12   and name HD3 ))
      4.100     2.100     1.900 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.10190E-02 ppm1      8.417 ppm2      1.611 CV     1
 OR { 1116}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 12   and name HD2 ))
 ASSI { 1117}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 13   and name HB% )
      4.300     2.400     1.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.96603E-03 ppm1      8.417 ppm2      1.547 CV     1
 ASSI { 1117}
   (( segid "B   " and resid 15   and name HN  ))
   (  segid "B   " and resid 13   and name HB% )
      4.300     2.300     1.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.96603E-03 ppm1      8.417 ppm2      1.547 CV     1
 ASSI { 1119}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 15   and name HG1%)
      3.600     1.600     1.600 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.30091E-02 ppm1      8.417 ppm2      0.768 CV     1
 ASSI { 1119}
   (( segid "B   " and resid 15   and name HN  ))
   (  segid "B   " and resid 15   and name HG1%)
      3.600     1.600     1.600 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.30091E-02 ppm1      8.417 ppm2      0.768 CV     1
 ASSI { 1120}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 15   and name HG2%)
      2.900     1.100     1.100 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.47810E-02 ppm1      8.417 ppm2      0.443 CV     1
 ASSI { 1120}
   (( segid "B   " and resid 15   and name HN  ))
   (  segid "B   " and resid 15   and name HG2%)
      2.900     1.100     1.100 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.47810E-02 ppm1      8.417 ppm2      0.443 CV     1
 ASSI { 1125}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
      3.500     1.500     1.500 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.10866E-02 ppm1      8.417 ppm2      4.035 CV     1
 ASSI { 1125}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HA  ))
      3.500     1.500     1.500 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.10866E-02 ppm1      8.417 ppm2      4.035 CV     1
 ASSI { 1126}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      3.400     1.400     1.400 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.12530E-02 ppm1      8.417 ppm2      3.429 CV     1
 ASSI { 1126}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 12   and name HA  ))
      3.400     1.400     1.400 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.12530E-02 ppm1      8.417 ppm2      3.429 CV     1
 ASSI { 1127}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      3.000     1.100     1.100 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.19601E-02 ppm1      8.417 ppm2      3.256 CV     1
 ASSI { 1127}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 15   and name HA  ))
      3.000     1.100     1.100 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.19601E-02 ppm1      8.417 ppm2      3.256 CV     1
 ASSI { 1128}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HG3 ))
      5.100     3.200     0.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.36947E-03 ppm1      8.417 ppm2      2.867 CV     1
 ASSI { 1128}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HG3 ))
      5.100     3.200     0.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.36947E-03 ppm1      8.417 ppm2      2.867 CV     1
 ASSI { 1129}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.45267E-02 ppm1      8.417 ppm2      8.515 CV     1
 ASSI { 1129}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.45267E-02 ppm1      8.417 ppm2      8.515 CV     1
 ASSI { 1130}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.53637E-03 ppm1      8.428 ppm2      7.995 CV     1
 ASSI { 1130}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.53637E-03 ppm1      8.428 ppm2      7.995 CV     1
 ASSI { 1131}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 59   and name HB  ))
      2.700     0.900     0.900 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.24360E-02 ppm1      8.569 ppm2      2.455 CV     1
 ASSI { 1131}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 59   and name HB  ))
      2.700     0.900     0.900 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.24360E-02 ppm1      8.569 ppm2      2.455 CV     1
 ASSI { 1132}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HB2 ))
      2.400     0.700     0.700 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.49751E-02 ppm1      8.569 ppm2      1.828 CV     1
 OR { 1132}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HB3 ))
 ASSI { 1132}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 60   and name HB2 ))
      2.400     0.700     0.700 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.49751E-02 ppm1      8.569 ppm2      1.828 CV     1
 OR { 1132}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 60   and name HB3 ))
 ASSI { 1133}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HD3 ))
      3.800     1.800     1.800 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.47905E-03 ppm1      8.569 ppm2      1.676 CV     1
 OR { 1133}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HD2 ))
 ASSI { 1133}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 60   and name HD3 ))
      3.800     1.800     1.800 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.47905E-03 ppm1      8.569 ppm2      1.676 CV     1
 OR { 1133}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 60   and name HD2 ))
 ASSI { 1134}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HG3 ))
      3.700     1.700     1.700 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      8.569 ppm2      1.525 CV     1
 ASSI { 1134}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 60   and name HG3 ))
      3.700     1.700     1.700 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      8.569 ppm2      1.525 CV     1
 ASSI { 1135}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HG2 ))
      4.700     2.800     1.300 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.76750E-03 ppm1      8.569 ppm2      1.417 CV     1
 ASSI { 1135}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 60   and name HG2 ))
      4.700     2.800     1.300 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.76750E-03 ppm1      8.569 ppm2      1.417 CV     1
 ASSI { 1136}
   (( segid "A   " and resid 60   and name HN  ))
   (  segid "A   " and resid 59   and name HG1%)
      4.100     2.100     1.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.12796E-02 ppm1      8.569 ppm2      1.006 CV     1
 ASSI { 1136}
   (( segid "B   " and resid 60   and name HN  ))
   (  segid "B   " and resid 59   and name HG1%)
      4.100     2.100     1.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.12796E-02 ppm1      8.569 ppm2      1.006 CV     1
 ASSI { 1138}
   (( segid "A   " and resid 60   and name HN  ))
   (  segid "A   " and resid 59   and name HG2%)
      3.600     1.600     1.600 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      8.569 ppm2      0.681 CV     1
 ASSI { 1138}
   (( segid "B   " and resid 60   and name HN  ))
   (  segid "B   " and resid 59   and name HG2%)
      3.600     1.600     1.600 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      8.569 ppm2      0.681 CV     1
 ASSI { 1141}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.48024E-02 ppm1      8.569 ppm2      4.684 CV     1
 ASSI { 1141}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.48024E-02 ppm1      8.569 ppm2      4.684 CV     1
 ASSI { 1142}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.25127E-02 ppm1      8.569 ppm2      4.057 CV     1
 ASSI { 1142}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.25127E-02 ppm1      8.569 ppm2      4.057 CV     1
 ASSI { 1143}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 86   and name HA  ))
      3.100     1.200     1.200 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.94948E-03 ppm1      8.764 ppm2      4.836 CV     1
 ASSI { 1143}
   (( segid "B   " and resid 86   and name HN  ))
   (( segid "B   " and resid 86   and name HA  ))
      3.100     1.200     1.200 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.94948E-03 ppm1      8.764 ppm2      4.836 CV     1
 ASSI { 1144}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      3.800     1.800     1.800 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.73200E-03 ppm1      8.764 ppm2      4.230 CV     1
 ASSI { 1144}
   (( segid "B   " and resid 86   and name HN  ))
   (( segid "B   " and resid 41   and name HA  ))
      3.800     1.800     1.800 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.73200E-03 ppm1      8.764 ppm2      4.230 CV     1
 ASSI { 1145}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 129  and name HN  ))
      4.500     2.600     1.500 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.50759E-03 ppm1      9.056 ppm2      8.623 CV     1
 ASSI { 1145}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 129  and name HN  ))
      4.500     2.600     1.500 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.50759E-03 ppm1      9.056 ppm2      8.623 CV     1
 ASSI { 1146}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 103  and name HB3 ))
      2.500     0.800     0.800 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.43421E-02 ppm1      8.179 ppm2      2.109 CV     1
 ASSI { 1146}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 103  and name HB3 ))
      2.500     0.800     0.800 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.43421E-02 ppm1      8.179 ppm2      2.109 CV     1
 ASSI { 1147}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 103  and name HB2 ))
      3.100     1.200     1.200 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.44883E-02 ppm1      8.179 ppm2      2.001 CV     1
 ASSI { 1147}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 103  and name HB2 ))
      3.100     1.200     1.200 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.44883E-02 ppm1      8.179 ppm2      2.001 CV     1
 ASSI { 1148}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 103  and name HG3 ))
      2.500     0.800     0.800 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.36086E-02 ppm1      8.179 ppm2      1.893 CV     1
 ASSI { 1148}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 103  and name HG3 ))
      2.500     0.800     0.800 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.36086E-02 ppm1      8.179 ppm2      1.893 CV     1
 ASSI { 1149}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 103  and name HG2 ))
      2.500     0.800     0.800 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.23157E-02 ppm1      8.179 ppm2      1.741 CV     1
 ASSI { 1149}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 103  and name HG2 ))
      2.500     0.800     0.800 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.23157E-02 ppm1      8.179 ppm2      1.741 CV     1
 ASSI { 1150}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 102  and name HG  ))
      4.200     2.200     1.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.82552E-03 ppm1      8.179 ppm2      1.568 CV     1
 ASSI { 1150}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 102  and name HG  ))
      4.200     2.200     1.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.82552E-03 ppm1      8.179 ppm2      1.568 CV     1
 ASSI { 1153}
   (( segid "A   " and resid 103  and name HN  ))
   (  segid "A   " and resid 102  and name HD1%)
      4.800     2.800     1.200 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.75120E-03 ppm1      8.179 ppm2      0.162 CV     1
 ASSI { 1153}
   (( segid "B   " and resid 103  and name HN  ))
   (  segid "B   " and resid 102  and name HD1%)
      4.800     2.800     1.200 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.75120E-03 ppm1      8.179 ppm2      0.162 CV     1
 ASSI { 1154}
   (( segid "A   " and resid 103  and name HN  ))
   (  segid "A   " and resid 102  and name HD2%)
      4.900     3.000     1.100 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.49248E-03 ppm1      8.179 ppm2     -0.098 CV     1
 ASSI { 1154}
   (( segid "B   " and resid 103  and name HN  ))
   (  segid "B   " and resid 102  and name HD2%)
      4.900     3.000     1.100 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.49248E-03 ppm1      8.179 ppm2     -0.098 CV     1
 ASSI { 1156}
   (( segid "A   " and resid 103  and name HN  ))
   (  segid "A   " and resid 107  and name HD% )
      4.300     2.300     1.700 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.47834E-03 ppm1      8.179 ppm2      7.563 CV     1
 ASSI { 1156}
   (( segid "B   " and resid 103  and name HN  ))
   (  segid "B   " and resid 107  and name HD% )
      4.300     2.300     1.700 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.47834E-03 ppm1      8.179 ppm2      7.563 CV     1
 ASSI { 1157}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 103  and name HA  ))
      2.600     0.800     0.800 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.29178E-02 ppm1      8.179 ppm2      4.555 CV     1
 ASSI { 1157}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 103  and name HA  ))
      2.600     0.800     0.800 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.29178E-02 ppm1      8.179 ppm2      4.555 CV     1
 ASSI { 1159}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 102  and name HA  ))
      3.900     1.900     1.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.47355E-03 ppm1      8.179 ppm2      3.797 CV     1
 ASSI { 1159}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 102  and name HA  ))
      3.900     1.900     1.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.47355E-03 ppm1      8.179 ppm2      3.797 CV     1
 ASSI { 1160}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 102  and name HN  ))
      2.800     1.000     1.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.24096E-02 ppm1      8.179 ppm2      8.709 CV     1
 ASSI { 1160}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 102  and name HN  ))
      2.800     1.000     1.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.24096E-02 ppm1      8.179 ppm2      8.709 CV     1
 ASSI { 1163}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 73   and name HB3 ))
      3.200     1.300     1.300 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.19529E-02 ppm1      7.736 ppm2      1.806 CV     1
 ASSI { 1163}
   (( segid "B   " and resid 74   and name HN  ))
   (( segid "B   " and resid 73   and name HB3 ))
      3.200     1.300     1.300 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.19529E-02 ppm1      7.736 ppm2      1.806 CV     1
 ASSI { 1167}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 73   and name HB2 ))
      4.300     2.300     1.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.65792E-03 ppm1      7.736 ppm2      1.114 CV     1
 ASSI { 1167}
   (( segid "B   " and resid 74   and name HN  ))
   (( segid "B   " and resid 73   and name HB2 ))
      4.300     2.300     1.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.65792E-03 ppm1      7.736 ppm2      1.114 CV     1
 ASSI { 1168}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.27692E-02 ppm1      7.736 ppm2      0.551 CV     1
 ASSI { 1168}
   (( segid "B   " and resid 74   and name HN  ))
   (( segid "B   " and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.27692E-02 ppm1      7.736 ppm2      0.551 CV     1
 ASSI { 1170}
   (( segid "A   " and resid 74   and name HN  ))
   (  segid "A   " and resid 74   and name HD1%)
      3.900     1.900     1.900 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.22068E-02 ppm1      7.736 ppm2     -0.076 CV     1
 ASSI { 1170}
   (( segid "B   " and resid 74   and name HN  ))
   (  segid "B   " and resid 74   and name HD1%)
      3.900     1.900     1.900 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.22068E-02 ppm1      7.736 ppm2     -0.076 CV     1
 ASSI { 1173}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
      2.900     1.100     1.100 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      7.736 ppm2      4.035 CV     1
 ASSI { 1173}
   (( segid "B   " and resid 74   and name HN  ))
   (( segid "B   " and resid 73   and name HA  ))
      2.900     1.100     1.100 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      7.736 ppm2      4.035 CV     1
 ASSI { 1174}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 74   and name HA  ))
      2.600     0.800     0.800 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.32871E-02 ppm1      7.736 ppm2      3.494 CV     1
 ASSI { 1174}
   (( segid "B   " and resid 74   and name HN  ))
   (( segid "B   " and resid 74   and name HA  ))
      2.600     0.800     0.800 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.32871E-02 ppm1      7.736 ppm2      3.494 CV     1
 ASSI { 1176}
   (( segid "A   " and resid 98   and name HN  ))
   (  segid "A   " and resid 97   and name HD1%)
      4.800     2.900     1.200 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.43637E-03 ppm1      8.872 ppm2      1.027 CV     1
 ASSI { 1176}
   (( segid "B   " and resid 98   and name HN  ))
   (  segid "B   " and resid 97   and name HD1%)
      4.800     2.900     1.200 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.43637E-03 ppm1      8.872 ppm2      1.027 CV     1
 ASSI { 1177}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 125  and name HB2 ))
      3.400     1.500     1.500 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.69027E-03 ppm1      7.324 ppm2      2.261 CV     1
 OR { 1177}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 125  and name HB3 ))
 ASSI { 1177}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 125  and name HB2 ))
      3.400     1.500     1.500 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.69027E-03 ppm1      7.324 ppm2      2.261 CV     1
 OR { 1177}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 125  and name HB3 ))
 ASSI { 1180}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 123  and name HB3 ))
      3.900     1.900     1.900 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.62052E-03 ppm1      7.335 ppm2      2.044 CV     1
 ASSI { 1180}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 123  and name HB3 ))
      3.900     1.900     1.900 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.62052E-03 ppm1      7.335 ppm2      2.044 CV     1
 ASSI { 1181}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 126  and name HD2 ))
      4.700     2.800     1.300 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.95956E-03 ppm1      7.335 ppm2      2.477 CV     1
 ASSI { 1181}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 126  and name HD2 ))
      4.700     2.800     1.300 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.95956E-03 ppm1      7.335 ppm2      2.477 CV     1
 ASSI { 1183}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 123  and name HB2 ))
      4.400     2.500     1.600 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.79625E-03 ppm1      7.335 ppm2      1.763 CV     1
 ASSI { 1183}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 123  and name HB2 ))
      4.400     2.500     1.600 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.79625E-03 ppm1      7.335 ppm2      1.763 CV     1
 ASSI { 1184}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 125  and name HG  ))
      2.500     0.800     0.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.35869E-02 ppm1      7.335 ppm2      0.681 CV     1
 ASSI { 1184}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 125  and name HG  ))
      2.500     0.800     0.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.35869E-02 ppm1      7.335 ppm2      0.681 CV     1
 ASSI { 1186}
   (( segid "A   " and resid 125  and name HN  ))
   (  segid "A   " and resid 125  and name HD1%)
      3.100     1.200     1.200 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.85190E-02 ppm1      7.335 ppm2     -0.228 CV     1
 ASSI { 1186}
   (( segid "B   " and resid 125  and name HN  ))
   (  segid "B   " and resid 125  and name HD1%)
      3.100     1.200     1.200 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.85190E-02 ppm1      7.335 ppm2     -0.228 CV     1
 ASSI { 1188}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 120  and name HD1 ))
      4.200     2.200     1.800 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.62147E-03 ppm1      7.335 ppm2      6.589 CV     1
 ASSI { 1188}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 120  and name HD1 ))
      4.200     2.200     1.800 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.62147E-03 ppm1      7.335 ppm2      6.589 CV     1
 ASSI { 1189}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 123  and name HA  ))
      3.700     1.700     1.700 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.12698E-02 ppm1      7.335 ppm2      4.252 CV     1
 ASSI { 1189}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 123  and name HA  ))
      3.700     1.700     1.700 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.12698E-02 ppm1      7.335 ppm2      4.252 CV     1
 ASSI { 1191}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 124  and name HA1 ))
      2.800     1.000     1.000 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.30521E-02 ppm1      7.335 ppm2      3.711 CV     1
 ASSI { 1191}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 124  and name HA1 ))
      2.800     1.000     1.000 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.30521E-02 ppm1      7.335 ppm2      3.711 CV     1
 ASSI { 1192}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 126  and name HD3 ))
      4.600     2.600     1.400 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.11401E-02 ppm1      7.335 ppm2      3.278 CV     1
 ASSI { 1192}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 126  and name HD3 ))
      4.600     2.600     1.400 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.11401E-02 ppm1      7.335 ppm2      3.278 CV     1
 ASSI { 1193}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 120  and name HE1 ))
      4.800     2.900     1.200 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.36995E-03 ppm1      7.335 ppm2      9.813 CV     1
 ASSI { 1193}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 120  and name HE1 ))
      4.800     2.900     1.200 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.36995E-03 ppm1      7.335 ppm2      9.813 CV     1
 ASSI { 1194}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 97   and name HB2 ))
      3.400     1.400     1.400 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      8.861 ppm2      1.676 CV     1
 ASSI { 1194}
   (( segid "B   " and resid 98   and name HN  ))
   (( segid "B   " and resid 97   and name HB2 ))
      3.400     1.400     1.400 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      8.861 ppm2      1.676 CV     1
 ASSI { 1196}
   (( segid "A   " and resid 98   and name HN  ))
   (  segid "A   " and resid 98   and name HB% )
      2.400     0.700     0.700 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.47905E-02 ppm1      8.861 ppm2      1.330 CV     1
 ASSI { 1196}
   (( segid "B   " and resid 98   and name HN  ))
   (  segid "B   " and resid 98   and name HB% )
      2.400     0.700     0.700 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.47905E-02 ppm1      8.861 ppm2      1.330 CV     1
 ASSI { 1198}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 98   and name HA  ))
      2.900     1.100     1.100 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.19282E-02 ppm1      8.861 ppm2      4.446 CV     1
 ASSI { 1198}
   (( segid "B   " and resid 98   and name HN  ))
   (( segid "B   " and resid 98   and name HA  ))
      2.900     1.100     1.100 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.19282E-02 ppm1      8.861 ppm2      4.446 CV     1
 ASSI { 1199}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 99   and name HN  ))
      2.000     0.500     0.500 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.15983E-01 ppm1      8.861 ppm2      8.839 CV     1
 ASSI { 1199}
   (( segid "B   " and resid 98   and name HN  ))
   (( segid "B   " and resid 99   and name HN  ))
      2.000     0.500     0.500 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.15983E-01 ppm1      8.861 ppm2      8.839 CV     1
 ASSI { 1200}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.12132E-02 ppm1      8.861 ppm2      3.711 CV     1
 ASSI { 1200}
   (( segid "B   " and resid 98   and name HN  ))
   (( segid "B   " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.12132E-02 ppm1      8.861 ppm2      3.711 CV     1
 ASSI { 1201}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 99   and name HA2 ))
      4.800     2.800     1.200 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.48576E-03 ppm1      8.861 ppm2      3.559 CV     1
 OR { 1201}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 99   and name HA1 ))
 ASSI { 1201}
   (( segid "B   " and resid 98   and name HN  ))
   (( segid "B   " and resid 99   and name HA2 ))
      4.800     2.800     1.200 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.48576E-03 ppm1      8.861 ppm2      3.559 CV     1
 OR { 1201}
   (( segid "B   " and resid 98   and name HN  ))
   (( segid "B   " and resid 99   and name HA1 ))
 ASSI { 1202}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 97   and name HB3 ))
      2.900     1.000     1.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.24888E-02 ppm1      8.872 ppm2      1.958 CV     1
 ASSI { 1202}
   (( segid "B   " and resid 98   and name HN  ))
   (( segid "B   " and resid 97   and name HB3 ))
      2.900     1.000     1.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.24888E-02 ppm1      8.872 ppm2      1.958 CV     1
 ASSI { 1203}
   (( segid "A   " and resid 98   and name HN  ))
   (  segid "A   " and resid 97   and name HD2%)
      3.800     1.800     1.800 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.18268E-02 ppm1      8.872 ppm2      0.724 CV     1
 ASSI { 1203}
   (( segid "B   " and resid 98   and name HN  ))
   (  segid "B   " and resid 97   and name HD2%)
      3.800     1.800     1.800 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.18268E-02 ppm1      8.872 ppm2      0.724 CV     1
 ASSI { 1204}
   (( segid "A   " and resid 98   and name HN  ))
   (( segid "A   " and resid 97   and name HA  ))
      3.000     1.100     1.100 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.19517E-02 ppm1      8.872 ppm2      3.884 CV     1
 ASSI { 1204}
   (( segid "B   " and resid 98   and name HN  ))
   (( segid "B   " and resid 97   and name HA  ))
      3.000     1.100     1.100 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.19517E-02 ppm1      8.872 ppm2      3.884 CV     1
 ASSI { 1206}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HA  ))
      3.500     1.500     1.500 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.68621E-03 ppm1      9.326 ppm2      5.009 CV     1
 ASSI { 1206}
   (( segid "B   " and resid 47   and name HN  ))
   (( segid "B   " and resid 47   and name HA  ))
      3.500     1.500     1.500 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.68621E-03 ppm1      9.326 ppm2      5.009 CV     1
 ASSI { 1211}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      9.337 ppm2      4.122 CV     1
 ASSI { 1211}
   (( segid "B   " and resid 47   and name HN  ))
   (( segid "B   " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      9.337 ppm2      4.122 CV     1
 ASSI { 1212}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HB3 ))
      3.700     1.700     1.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.13269E-02 ppm1      9.337 ppm2      3.170 CV     1
 ASSI { 1212}
   (( segid "B   " and resid 47   and name HN  ))
   (( segid "B   " and resid 47   and name HB3 ))
      3.700     1.700     1.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.13269E-02 ppm1      9.337 ppm2      3.170 CV     1
 ASSI { 1213}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HB2 ))
      3.300     1.300     1.300 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.89384E-03 ppm1      9.337 ppm2      2.737 CV     1
 ASSI { 1213}
   (( segid "B   " and resid 47   and name HN  ))
   (( segid "B   " and resid 47   and name HB2 ))
      3.300     1.300     1.300 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.89384E-03 ppm1      9.337 ppm2      2.737 CV     1
 ASSI { 1214}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 126  and name HB2 ))
      3.800     1.800     1.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.71329E-03 ppm1      8.017 ppm2      2.196 CV     1
 OR { 1214}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 126  and name HG3 ))
 ASSI { 1214}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 126  and name HB2 ))
      3.800     1.800     1.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.71329E-03 ppm1      8.017 ppm2      2.196 CV     1
 OR { 1214}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 126  and name HG3 ))
 ASSI { 1215}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
      2.900     1.100     1.100 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.22085E-02 ppm1      8.017 ppm2      1.763 CV     1
 ASSI { 1215}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 58   and name HB2 ))
      2.900     1.100     1.100 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.22085E-02 ppm1      8.017 ppm2      1.763 CV     1
 ASSI { 1218}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HB3 ))
      4.100     2.100     1.900 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.10058E-02 ppm1      8.017 ppm2      0.768 CV     1
 ASSI { 1218}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 57   and name HB3 ))
      4.100     2.100     1.900 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.10058E-02 ppm1      8.017 ppm2      0.768 CV     1
 ASSI { 1220}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HB2 ))
      3.600     1.600     1.600 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.10904E-02 ppm1      8.017 ppm2      0.248 CV     1
 ASSI { 1220}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 57   and name HB2 ))
      3.600     1.600     1.600 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.10904E-02 ppm1      8.017 ppm2      0.248 CV     1
 ASSI { 1221}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 127  and name HA  ))
      2.700     0.900     0.900 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.31818E-02 ppm1      8.017 ppm2      5.139 CV     1
 ASSI { 1221}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 127  and name HA  ))
      2.700     0.900     0.900 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.31818E-02 ppm1      8.017 ppm2      5.139 CV     1
 ASSI { 1222}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.18428E-02 ppm1      8.017 ppm2      4.403 CV     1
 ASSI { 1222}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.18428E-02 ppm1      8.017 ppm2      4.403 CV     1
 ASSI { 1223}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.41910E-02 ppm1      8.017 ppm2      4.014 CV     1
 ASSI { 1223}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.41910E-02 ppm1      8.017 ppm2      4.014 CV     1
 ASSI { 1224}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HB3 ))
      2.600     0.800     0.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.23049E-02 ppm1      8.017 ppm2      2.780 CV     1
 ASSI { 1224}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 58   and name HB3 ))
      2.600     0.800     0.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.23049E-02 ppm1      8.017 ppm2      2.780 CV     1
 ASSI { 1225}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 126  and name HB3 ))
      5.500     3.800     0.500 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.40472E-03 ppm1      8.028 ppm2      2.434 CV     1
 ASSI { 1225}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 126  and name HB3 ))
      5.500     3.800     0.500 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.40472E-03 ppm1      8.028 ppm2      2.434 CV     1
 ASSI { 1226}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 120  and name HZ2 ))
      3.700     1.700     1.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.95739E-03 ppm1      8.028 ppm2      7.043 CV     1
 ASSI { 1226}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 120  and name HZ2 ))
      3.700     1.700     1.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.95739E-03 ppm1      8.028 ppm2      7.043 CV     1
 ASSI { 1228}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 127  and name HB2 ))
      4.200     2.200     1.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.89506E-03 ppm1      8.028 ppm2      3.689 CV     1
 OR { 1228}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 127  and name HB3 ))
 ASSI { 1228}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 127  and name HB2 ))
      4.200     2.200     1.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.89506E-03 ppm1      8.028 ppm2      3.689 CV     1
 OR { 1228}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 127  and name HB3 ))
 ASSI { 1229}
   (( segid "A   " and resid 89   and name HN  ))
   (( segid "A   " and resid 116  and name HN  ))
      5.100     3.300     0.900 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.35869E-03 ppm1      7.205 ppm2      7.995 CV     1
 ASSI { 1229}
   (( segid "B   " and resid 89   and name HN  ))
   (( segid "B   " and resid 116  and name HN  ))
      5.100     3.300     0.900 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.35869E-03 ppm1      7.205 ppm2      7.995 CV     1
 ASSI { 1230}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 71   and name HN  ))
      2.900     1.000     1.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.15690E-02 ppm1      7.270 ppm2     10.224 CV     1
 ASSI { 1230}
   (( segid "B   " and resid 70   and name HN  ))
   (( segid "B   " and resid 71   and name HN  ))
      2.900     1.000     1.000 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.15690E-02 ppm1      7.270 ppm2     10.224 CV     1
 ASSI { 1232}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 73   and name HB3 ))
      4.200     2.200     1.800 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.98376E-03 ppm1      7.270 ppm2      1.785 CV     1
 ASSI { 1232}
   (( segid "B   " and resid 70   and name HN  ))
   (( segid "B   " and resid 73   and name HB3 ))
      4.200     2.200     1.800 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.98376E-03 ppm1      7.270 ppm2      1.785 CV     1
 ASSI { 1233}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HB2 ))
      3.300     1.400     1.400 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.41049E-02 ppm1      7.270 ppm2      1.417 CV     1
 ASSI { 1233}
   (( segid "B   " and resid 70   and name HN  ))
   (( segid "B   " and resid 70   and name HB2 ))
      3.300     1.400     1.400 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.41049E-02 ppm1      7.270 ppm2      1.417 CV     1
 ASSI { 1234}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HG  ))
      3.700     1.700     1.700 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.63896E-03 ppm1      7.270 ppm2      0.984 CV     1
 ASSI { 1234}
   (( segid "B   " and resid 70   and name HN  ))
   (( segid "B   " and resid 70   and name HG  ))
      3.700     1.700     1.700 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.63896E-03 ppm1      7.270 ppm2      0.984 CV     1
 ASSI { 1235}
   (( segid "A   " and resid 70   and name HN  ))
   (  segid "A   " and resid 70   and name HD2%)
      3.300     1.300     1.300 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.22488E-02 ppm1      7.270 ppm2      0.638 CV     1
 ASSI { 1235}
   (( segid "B   " and resid 70   and name HN  ))
   (  segid "B   " and resid 70   and name HD2%)
      3.300     1.300     1.300 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.22488E-02 ppm1      7.270 ppm2      0.638 CV     1
 ASSI { 1237}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 68   and name HN  ))
      4.100     2.100     1.900 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.52340E-03 ppm1      7.270 ppm2      8.709 CV     1
 ASSI { 1237}
   (( segid "B   " and resid 70   and name HN  ))
   (( segid "B   " and resid 68   and name HN  ))
      4.100     2.100     1.900 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.52340E-03 ppm1      7.270 ppm2      8.709 CV     1
 ASSI { 1239}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.26158E-02 ppm1      7.270 ppm2      3.278 CV     1
 ASSI { 1239}
   (( segid "B   " and resid 70   and name HN  ))
   (( segid "B   " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.26158E-02 ppm1      7.270 ppm2      3.278 CV     1
 ASSI { 1240}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HB3 ))
      2.300     0.700     0.700 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.42654E-02 ppm1      7.281 ppm2      1.655 CV     1
 ASSI { 1240}
   (( segid "B   " and resid 70   and name HN  ))
   (( segid "B   " and resid 70   and name HB3 ))
      2.300     0.700     0.700 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.42654E-02 ppm1      7.281 ppm2      1.655 CV     1
 ASSI { 1242}
   (( segid "A   " and resid 89   and name HN  ))
   (  segid "A   " and resid 88   and name HD% )
      3.500     1.500     1.500 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.14657E-02 ppm1      7.195 ppm2      6.935 CV     1
 ASSI { 1242}
   (( segid "B   " and resid 89   and name HN  ))
   (  segid "B   " and resid 88   and name HD% )
      3.500     1.500     1.500 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.14657E-02 ppm1      7.195 ppm2      6.935 CV     1
 ASSI { 1243}
   (( segid "A   " and resid 89   and name HN  ))
   (( segid "A   " and resid 88   and name HB2 ))
      3.700     1.700     1.700 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.11492E-02 ppm1      7.205 ppm2      2.477 CV     1
 ASSI { 1243}
   (( segid "B   " and resid 89   and name HN  ))
   (( segid "B   " and resid 88   and name HB2 ))
      3.700     1.700     1.700 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.11492E-02 ppm1      7.205 ppm2      2.477 CV     1
 ASSI { 1245}
   (( segid "A   " and resid 89   and name HN  ))
   (  segid "A   " and resid 95   and name HB% )
      3.200     1.300     1.300 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.17393E-02 ppm1      7.205 ppm2      1.135 CV     1
 ASSI { 1245}
   (( segid "B   " and resid 89   and name HN  ))
   (  segid "B   " and resid 95   and name HB% )
      3.200     1.300     1.300 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.17393E-02 ppm1      7.205 ppm2      1.135 CV     1
 ASSI { 1246}
   (( segid "A   " and resid 89   and name HN  ))
   (( segid "A   " and resid 88   and name HA  ))
      2.200     0.600     0.600 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.63274E-02 ppm1      7.205 ppm2      5.485 CV     1
 ASSI { 1246}
   (( segid "B   " and resid 89   and name HN  ))
   (( segid "B   " and resid 88   and name HA  ))
      2.200     0.600     0.600 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.63274E-02 ppm1      7.205 ppm2      5.485 CV     1
 ASSI { 1248}
   (( segid "A   " and resid 89   and name HN  ))
   (( segid "A   " and resid 113  and name HB3 ))
      3.000     1.100     1.100 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.10912E-02 ppm1      7.205 ppm2      4.425 CV     1
 ASSI { 1248}
   (( segid "B   " and resid 89   and name HN  ))
   (( segid "B   " and resid 113  and name HB3 ))
      3.000     1.100     1.100 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.10912E-02 ppm1      7.205 ppm2      4.425 CV     1
 ASSI { 1249}
   (( segid "A   " and resid 89   and name HN  ))
   (( segid "A   " and resid 113  and name HB2 ))
      3.700     1.700     1.700 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.52676E-03 ppm1      7.205 ppm2      3.408 CV     1
 ASSI { 1249}
   (( segid "B   " and resid 89   and name HN  ))
   (( segid "B   " and resid 113  and name HB2 ))
      3.700     1.700     1.700 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.52676E-03 ppm1      7.205 ppm2      3.408 CV     1
 ASSI { 1250}
   (( segid "A   " and resid 89   and name HN  ))
   (( segid "A   " and resid 116  and name HA1 ))
      3.600     1.600     1.600 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.78188E-03 ppm1      7.205 ppm2      3.148 CV     1
 ASSI { 1250}
   (( segid "B   " and resid 89   and name HN  ))
   (( segid "B   " and resid 116  and name HA1 ))
      3.600     1.600     1.600 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.78188E-03 ppm1      7.205 ppm2      3.148 CV     1
 ASSI { 1251}
   (( segid "A   " and resid 89   and name HN  ))
   (( segid "A   " and resid 88   and name HB3 ))
      4.200     2.200     1.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.35988E-03 ppm1      7.205 ppm2      2.867 CV     1
 ASSI { 1251}
   (( segid "B   " and resid 89   and name HN  ))
   (( segid "B   " and resid 88   and name HB3 ))
      4.200     2.200     1.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.35988E-03 ppm1      7.205 ppm2      2.867 CV     1
 ASSI { 1252}
   (( segid "A   " and resid 122  and name HN  ))
   (( segid "A   " and resid 122  and name HG3 ))
      4.100     2.100     1.900 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.20473E-02 ppm1      7.833 ppm2      2.455 CV     1
 ASSI { 1252}
   (( segid "B   " and resid 122  and name HN  ))
   (( segid "B   " and resid 122  and name HG3 ))
      4.100     2.100     1.900 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.20473E-02 ppm1      7.833 ppm2      2.455 CV     1
 ASSI { 1253}
   (( segid "A   " and resid 122  and name HN  ))
   (( segid "A   " and resid 122  and name HB2 ))
      2.100     0.500     0.500 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.13652E-01 ppm1      7.833 ppm2      2.261 CV     1
 OR { 1253}
   (( segid "A   " and resid 122  and name HN  ))
   (( segid "A   " and resid 122  and name HB3 ))
 ASSI { 1253}
   (( segid "B   " and resid 122  and name HN  ))
   (( segid "B   " and resid 122  and name HB2 ))
      2.100     0.500     0.500 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.13652E-01 ppm1      7.833 ppm2      2.261 CV     1
 OR { 1253}
   (( segid "B   " and resid 122  and name HN  ))
   (( segid "B   " and resid 122  and name HB3 ))
 ASSI { 1258}
   (( segid "A   " and resid 122  and name HN  ))
   (( segid "A   " and resid 121  and name HB2 ))
      2.900     1.100     1.100 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.18726E-02 ppm1      7.844 ppm2      1.503 CV     1
 ASSI { 1258}
   (( segid "B   " and resid 122  and name HN  ))
   (( segid "B   " and resid 121  and name HB2 ))
      2.900     1.100     1.100 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.18726E-02 ppm1      7.844 ppm2      1.503 CV     1
 ASSI { 1259}
   (( segid "A   " and resid 122  and name HN  ))
   (  segid "A   " and resid 121  and name HD2%)
      4.000     2.000     2.000 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.17944E-02 ppm1      7.844 ppm2      1.027 CV     1
 OR { 1259}
   (( segid "A   " and resid 122  and name HN  ))
   (  segid "A   " and resid 121  and name HD1%)
 ASSI { 1259}
   (( segid "B   " and resid 122  and name HN  ))
   (  segid "B   " and resid 121  and name HD2%)
      4.000     2.000     2.000 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.17944E-02 ppm1      7.844 ppm2      1.027 CV     1
 OR { 1259}
   (( segid "B   " and resid 122  and name HN  ))
   (  segid "B   " and resid 121  and name HD1%)
 ASSI { 1262}
   (( segid "A   " and resid 122  and name HN  ))
   (( segid "A   " and resid 122  and name HA  ))
      2.600     0.800     0.800 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.46995E-02 ppm1      7.844 ppm2      3.992 CV     1
 ASSI { 1262}
   (( segid "B   " and resid 122  and name HN  ))
   (( segid "B   " and resid 122  and name HA  ))
      2.600     0.800     0.800 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.46995E-02 ppm1      7.844 ppm2      3.992 CV     1
 ASSI { 1263}
   (( segid "A   " and resid 122  and name HN  ))
   (( segid "A   " and resid 121  and name HN  ))
      2.600     0.900     0.900 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.29083E-02 ppm1      7.844 ppm2      8.536 CV     1
 ASSI { 1263}
   (( segid "B   " and resid 122  and name HN  ))
   (( segid "B   " and resid 121  and name HN  ))
      2.600     0.900     0.900 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.29083E-02 ppm1      7.844 ppm2      8.536 CV     1
 ASSI { 1264}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HB  ))
      3.600     1.600     1.600 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.14805E-02 ppm1      7.141 ppm2      1.850 CV     1
 ASSI { 1264}
   (( segid "B   " and resid 41   and name HN  ))
   (( segid "B   " and resid 40   and name HB  ))
      3.600     1.600     1.600 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.14805E-02 ppm1      7.141 ppm2      1.850 CV     1
 ASSI { 1265}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 85   and name HG1%)
      2.800     1.000     1.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.14650E-02 ppm1      7.141 ppm2      1.049 CV     1
 ASSI { 1265}
   (( segid "B   " and resid 41   and name HN  ))
   (  segid "B   " and resid 85   and name HG1%)
      2.800     1.000     1.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.14650E-02 ppm1      7.141 ppm2      1.049 CV     1
 ASSI { 1267}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
      2.800     1.000     1.000 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.44358E-02 ppm1      7.141 ppm2      0.659 CV     1
 ASSI { 1267}
   (( segid "B   " and resid 41   and name HN  ))
   (  segid "B   " and resid 40   and name HG2%)
      2.800     1.000     1.000 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.44358E-02 ppm1      7.141 ppm2      0.659 CV     1
 ASSI { 1269}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      2.200     0.600     0.600 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.68765E-02 ppm1      7.141 ppm2      4.295 CV     1
 ASSI { 1269}
   (( segid "B   " and resid 41   and name HN  ))
   (( segid "B   " and resid 40   and name HA  ))
      2.200     0.600     0.600 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.68765E-02 ppm1      7.141 ppm2      4.295 CV     1
 ASSI { 1270}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 86   and name HN  ))
      4.300     2.300     1.700 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.58551E-03 ppm1      7.141 ppm2      8.753 CV     1
 ASSI { 1270}
   (( segid "B   " and resid 41   and name HN  ))
   (( segid "B   " and resid 86   and name HN  ))
      4.300     2.300     1.700 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.58551E-03 ppm1      7.141 ppm2      8.753 CV     1
 ASSI { 1271}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 41   and name HB  ))
      2.700     0.900     0.900 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.30713E-02 ppm1      7.141 ppm2      3.624 CV     1
 ASSI { 1271}
   (( segid "B   " and resid 41   and name HN  ))
   (( segid "B   " and resid 41   and name HB  ))
      2.700     0.900     0.900 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.30713E-02 ppm1      7.141 ppm2      3.624 CV     1
 ASSI { 1277}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 47   and name HN  ))
      3.900     1.900     1.900 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.75575E-03 ppm1      7.433 ppm2      9.315 CV     1
 ASSI { 1277}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "B   " and resid 47   and name HN  ))
      3.900     1.900     1.900 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.75575E-03 ppm1      7.433 ppm2      9.315 CV     1
 ASSI { 1278}
   (( segid "A   " and resid 50   and name HN  ))
   (  segid "A   " and resid 51   and name HD1%)
      4.200     2.200     1.800 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.77708E-03 ppm1      7.433 ppm2      0.335 CV     1
 ASSI { 1278}
   (( segid "B   " and resid 50   and name HN  ))
   (  segid "B   " and resid 51   and name HD1%)
      4.200     2.200     1.800 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.77708E-03 ppm1      7.433 ppm2      0.335 CV     1
 ASSI { 1280}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 47   and name HB3 ))
      4.300     2.300     1.700 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.71570E-03 ppm1      7.433 ppm2      3.191 CV     1
 ASSI { 1280}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "B   " and resid 47   and name HB3 ))
      4.300     2.300     1.700 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.71570E-03 ppm1      7.433 ppm2      3.191 CV     1
 ASSI { 1284}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HA  ))
      3.600     1.600     1.600 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.98208E-03 ppm1      7.444 ppm2      4.295 CV     1
 ASSI { 1284}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "B   " and resid 49   and name HA  ))
      3.600     1.600     1.600 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.98208E-03 ppm1      7.444 ppm2      4.295 CV     1
 ASSI { 1290}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 119  and name HB3 ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.94948E-03 ppm1      8.504 ppm2      1.979 CV     1
 ASSI { 1290}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 119  and name HB3 ))
      3.700     1.700     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.94948E-03 ppm1      8.504 ppm2      1.979 CV     1
 ASSI { 1291}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 119  and name HB2 ))
      3.300     1.400     1.400 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.10562E-02 ppm1      8.504 ppm2      1.806 CV     1
 ASSI { 1291}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 119  and name HB2 ))
      3.300     1.400     1.400 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.10562E-02 ppm1      8.504 ppm2      1.806 CV     1
 ASSI { 1292}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 119  and name HD2 ))
      4.200     2.200     1.800 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.97992E-03 ppm1      8.504 ppm2      1.655 CV     1
 ASSI { 1292}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 119  and name HD2 ))
      4.200     2.200     1.800 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.97992E-03 ppm1      8.504 ppm2      1.655 CV     1
 ASSI { 1293}
   (( segid "A   " and resid 120  and name HN  ))
   (  segid "A   " and resid 125  and name HD1%)
      4.700     2.700     1.300 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.55026E-03 ppm1      8.504 ppm2     -0.206 CV     1
 ASSI { 1293}
   (( segid "B   " and resid 120  and name HN  ))
   (  segid "B   " and resid 125  and name HD1%)
      4.700     2.700     1.300 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.55026E-03 ppm1      8.504 ppm2     -0.206 CV     1
 ASSI { 1294}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 122  and name HN  ))
      4.200     2.200     1.800 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.34526E-03 ppm1      8.504 ppm2      7.822 CV     1
 ASSI { 1294}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 122  and name HN  ))
      4.200     2.200     1.800 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.34526E-03 ppm1      8.504 ppm2      7.822 CV     1
 ASSI { 1295}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 120  and name HE3 ))
      4.000     2.000     2.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.80633E-03 ppm1      8.504 ppm2      7.627 CV     1
 ASSI { 1295}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 120  and name HE3 ))
      4.000     2.000     2.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.80633E-03 ppm1      8.504 ppm2      7.627 CV     1
 ASSI { 1297}
   (( segid "A   " and resid 120  and name HN  ))
   (  segid "A   " and resid 88   and name HD% )
      5.200     3.400     0.800 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.40161E-03 ppm1      8.504 ppm2      6.935 CV     1
 ASSI { 1297}
   (( segid "B   " and resid 120  and name HN  ))
   (  segid "B   " and resid 88   and name HD% )
      5.200     3.400     0.800 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.40161E-03 ppm1      8.504 ppm2      6.935 CV     1
 ASSI { 1298}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 120  and name HD1 ))
      4.800     2.900     1.200 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.63875E-03 ppm1      8.504 ppm2      6.589 CV     1
 ASSI { 1298}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 120  and name HD1 ))
      4.800     2.900     1.200 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.63875E-03 ppm1      8.504 ppm2      6.589 CV     1
 ASSI { 1301}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 120  and name HA  ))
      2.600     0.800     0.800 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.42654E-02 ppm1      8.504 ppm2      3.797 CV     1
 ASSI { 1301}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 120  and name HA  ))
      2.600     0.800     0.800 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.42654E-02 ppm1      8.504 ppm2      3.797 CV     1
 ASSI { 1302}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 120  and name HB2 ))
      2.700     0.900     0.900 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.27789E-02 ppm1      8.504 ppm2      3.451 CV     1
 OR { 1302}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 120  and name HB3 ))
 ASSI { 1302}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 120  and name HB2 ))
      2.700     0.900     0.900 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.27789E-02 ppm1      8.504 ppm2      3.451 CV     1
 OR { 1302}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 120  and name HB3 ))
 ASSI { 1304}
   (( segid "A   " and resid 120  and name HN  ))
   (  segid "A   " and resid 88   and name HE% )
      5.000     3.100     1.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.41623E-03 ppm1      8.515 ppm2      6.697 CV     1
 ASSI { 1304}
   (( segid "B   " and resid 120  and name HN  ))
   (  segid "B   " and resid 88   and name HE% )
      5.000     3.100     1.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.41623E-03 ppm1      8.515 ppm2      6.697 CV     1
 ASSI { 1305}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 24   and name HB3 ))
      3.900     1.900     1.900 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.92836E-03 ppm1      8.926 ppm2      2.217 CV     1
 OR { 1305}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI { 1305}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 24   and name HB3 ))
      3.900     1.900     1.900 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.92836E-03 ppm1      8.926 ppm2      2.217 CV     1
 OR { 1305}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI { 1308}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 25   and name HG  ))
      3.200     1.300     1.300 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.36901E-02 ppm1      8.926 ppm2      1.676 CV     1
 ASSI { 1308}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 25   and name HG  ))
      3.200     1.300     1.300 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.36901E-02 ppm1      8.926 ppm2      1.676 CV     1
 ASSI { 1309}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 25   and name HB2 ))
      2.400     0.700     0.700 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.30570E-02 ppm1      8.926 ppm2      1.611 CV     1
 ASSI { 1309}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 25   and name HB2 ))
      2.400     0.700     0.700 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.30570E-02 ppm1      8.926 ppm2      1.611 CV     1
 ASSI { 1310}
   (( segid "A   " and resid 25   and name HN  ))
   (  segid "A   " and resid 25   and name HD2%)
      4.300     2.300     1.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.11427E-02 ppm1      8.926 ppm2      0.941 CV     1
 ASSI { 1310}
   (( segid "B   " and resid 25   and name HN  ))
   (  segid "B   " and resid 25   and name HD2%)
      4.300     2.300     1.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.11427E-02 ppm1      8.926 ppm2      0.941 CV     1
 ASSI { 1311}
   (( segid "A   " and resid 25   and name HN  ))
   (  segid "A   " and resid 25   and name HD1%)
      4.600     2.600     1.400 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.10861E-02 ppm1      8.926 ppm2      0.573 CV     1
 ASSI { 1311}
   (( segid "B   " and resid 25   and name HN  ))
   (  segid "B   " and resid 25   and name HD1%)
      4.600     2.600     1.400 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.10861E-02 ppm1      8.926 ppm2      0.573 CV     1
 ASSI { 1312}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.81521E-03 ppm1      8.926 ppm2      9.272 CV     1
 ASSI { 1312}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.81521E-03 ppm1      8.926 ppm2      9.272 CV     1
 ASSI { 1313}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 24   and name HA  ))
      2.300     0.700     0.700 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.59534E-02 ppm1      8.926 ppm2      5.225 CV     1
 ASSI { 1313}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
      2.300     0.700     0.700 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.59534E-02 ppm1      8.926 ppm2      5.225 CV     1
 ASSI { 1314}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 25   and name HA  ))
      2.800     1.000     1.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.19761E-02 ppm1      8.926 ppm2      5.074 CV     1
 ASSI { 1314}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 25   and name HA  ))
      2.800     1.000     1.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.19761E-02 ppm1      8.926 ppm2      5.074 CV     1
 ASSI { 1319}
   (( segid "A   " and resid 11   and name HN  ))
   (  segid "A   " and resid 10   and name HG2%)
      4.000     2.000     2.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.14642E-02 ppm1      8.417 ppm2      0.486 CV     1
 ASSI { 1319}
   (( segid "B   " and resid 11   and name HN  ))
   (  segid "B   " and resid 10   and name HG2%)
      4.000     2.000     2.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.14642E-02 ppm1      8.417 ppm2      0.486 CV     1
 ASSI { 1320}
   (( segid "A   " and resid 11   and name HN  ))
   (  segid "A   " and resid 11   and name HD% )
      4.000     2.000     2.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.16290E-02 ppm1      8.417 ppm2      7.368 CV     1
 ASSI { 1320}
   (( segid "B   " and resid 11   and name HN  ))
   (  segid "B   " and resid 11   and name HD% )
      4.000     2.000     2.000 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.16290E-02 ppm1      8.417 ppm2      7.368 CV     1
 ASSI { 1321}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HB  ))
      2.800     1.000     1.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.22269E-02 ppm1      8.417 ppm2      4.295 CV     1
 ASSI { 1321}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 10   and name HB  ))
      2.800     1.000     1.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.22269E-02 ppm1      8.417 ppm2      4.295 CV     1
 ASSI { 1323}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HB3 ))
      3.100     1.200     1.200 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.28461E-02 ppm1      8.417 ppm2      3.581 CV     1
 ASSI { 1323}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 11   and name HB3 ))
      3.100     1.200     1.200 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.28461E-02 ppm1      8.417 ppm2      3.581 CV     1
 ASSI { 1324}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.300     0.700     0.700 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.41287E-02 ppm1      8.417 ppm2      3.364 CV     1
 ASSI { 1324}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 11   and name HB2 ))
      2.300     0.700     0.700 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.41287E-02 ppm1      8.417 ppm2      3.364 CV     1
 ASSI { 1326}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.52965E-03 ppm1      8.428 ppm2      7.995 CV     1
 ASSI { 1326}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.52965E-03 ppm1      8.428 ppm2      7.995 CV     1
 ASSI { 1329}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      2.900     1.000     1.000 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.23447E-02 ppm1      8.428 ppm2      4.922 CV     1
 ASSI { 1329}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 11   and name HA  ))
      2.900     1.000     1.000 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.23447E-02 ppm1      8.428 ppm2      4.922 CV     1
 ASSI { 1330}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 9    and name HA  ))
      3.800     1.800     1.800 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.69244E-03 ppm1      8.428 ppm2      4.143 CV     1
 ASSI { 1330}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 9    and name HA  ))
      3.800     1.800     1.800 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.69244E-03 ppm1      8.428 ppm2      4.143 CV     1
 ASSI { 1331}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      3.400     1.500     1.500 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.10336E-02 ppm1      8.428 ppm2      3.905 CV     1
 ASSI { 1331}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 10   and name HA  ))
      3.400     1.500     1.500 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.10336E-02 ppm1      8.428 ppm2      3.905 CV     1
 ASSI { 1332}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 8    and name HN  ))
      3.700     1.700     1.700 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.81066E-03 ppm1      8.428 ppm2      8.580 CV     1
 ASSI { 1332}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 8    and name HN  ))
      3.700     1.700     1.700 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.81066E-03 ppm1      8.428 ppm2      8.580 CV     1
 ASSI { 1333}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 63   and name HB3 ))
      3.300     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.25967E-02 ppm1      8.634 ppm2      1.417 CV     1
 ASSI { 1333}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 63   and name HB3 ))
      3.300     1.400     1.400 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.25967E-02 ppm1      8.634 ppm2      1.417 CV     1
 ASSI { 1335}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 65   and name HN  ))
      4.400     2.500     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.66726E-03 ppm1      8.634 ppm2      7.974 CV     1
 ASSI { 1335}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 65   and name HN  ))
      4.400     2.500     1.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.66726E-03 ppm1      8.634 ppm2      7.974 CV     1
 ASSI { 1336}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HD2 ))
      4.800     2.900     1.200 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.49223E-03 ppm1      8.634 ppm2      7.000 CV     1
 ASSI { 1336}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 64   and name HD2 ))
      4.800     2.900     1.200 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.49223E-03 ppm1      8.634 ppm2      7.000 CV     1
 ASSI { 1337}
   (( segid "A   " and resid 64   and name HN  ))
   (  segid "A   " and resid 62   and name HD% )
      3.800     1.800     1.800 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.98233E-03 ppm1      8.634 ppm2      6.740 CV     1
 ASSI { 1337}
   (( segid "B   " and resid 64   and name HN  ))
   (  segid "B   " and resid 62   and name HD% )
      3.800     1.800     1.800 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.98233E-03 ppm1      8.634 ppm2      6.740 CV     1
 ASSI { 1338}
   (( segid "A   " and resid 64   and name HN  ))
   (  segid "A   " and resid 62   and name HE% )
      3.400     1.500     1.500 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.13422E-02 ppm1      8.634 ppm2      6.524 CV     1
 ASSI { 1338}
   (( segid "B   " and resid 64   and name HN  ))
   (  segid "B   " and resid 62   and name HE% )
      3.400     1.500     1.500 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.13422E-02 ppm1      8.634 ppm2      6.524 CV     1
 ASSI { 1339}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HA  ))
      3.000     1.100     1.100 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.17062E-02 ppm1      8.634 ppm2      5.031 CV     1
 ASSI { 1339}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 64   and name HA  ))
      3.000     1.100     1.100 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.17062E-02 ppm1      8.634 ppm2      5.031 CV     1
 ASSI { 1340}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HB3 ))
      2.500     0.800     0.800 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.34694E-02 ppm1      8.634 ppm2      3.299 CV     1
 ASSI { 1340}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 64   and name HB3 ))
      2.500     0.800     0.800 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.34694E-02 ppm1      8.634 ppm2      3.299 CV     1
 ASSI { 1341}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.48002E-02 ppm1      8.634 ppm2      2.975 CV     1
 ASSI { 1341}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.48002E-02 ppm1      8.634 ppm2      2.975 CV     1
 ASSI { 1343}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 63   and name HD3 ))
      4.500     2.500     1.500 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.48240E-03 ppm1      8.645 ppm2      1.763 CV     1
 ASSI { 1343}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 63   and name HD3 ))
      4.500     2.500     1.500 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.48240E-03 ppm1      8.645 ppm2      1.763 CV     1
 ASSI { 1345}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 63   and name HA  ))
      2.200     0.600     0.600 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.97824E-02 ppm1      8.645 ppm2      4.252 CV     1
 ASSI { 1345}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 63   and name HA  ))
      2.200     0.600     0.600 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.97824E-02 ppm1      8.645 ppm2      4.252 CV     1
 ASSI { 1346}
   (( segid "A   " and resid 64   and name HN  ))
   (  segid "A   " and resid 51   and name HD2%)
      5.000     3.100     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.34550E-03 ppm1      8.655 ppm2      0.248 CV     1
 ASSI { 1346}
   (( segid "B   " and resid 64   and name HN  ))
   (  segid "B   " and resid 51   and name HD2%)
      5.000     3.100     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.34550E-03 ppm1      8.655 ppm2      0.248 CV     1
 ASSI { 1348}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 100  and name HG3 ))
      3.800     1.800     1.800 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.15796E-02 ppm1      7.692 ppm2      1.547 CV     1
 ASSI { 1348}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 100  and name HG3 ))
      3.800     1.800     1.800 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.15796E-02 ppm1      7.692 ppm2      1.547 CV     1
 ASSI { 1349}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 100  and name HG2 ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.30930E-02 ppm1      7.692 ppm2      1.395 CV     1
 ASSI { 1349}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 100  and name HG2 ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.30930E-02 ppm1      7.692 ppm2      1.395 CV     1
 ASSI { 1350}
   (( segid "A   " and resid 100  and name HN  ))
   (  segid "A   " and resid 110  and name HD1%)
      3.700     1.800     1.800 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.17040E-02 ppm1      7.692 ppm2      0.746 CV     1
 ASSI { 1350}
   (( segid "B   " and resid 100  and name HN  ))
   (  segid "B   " and resid 110  and name HD1%)
      3.700     1.800     1.800 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.17040E-02 ppm1      7.692 ppm2      0.746 CV     1
 ASSI { 1353}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 100  and name HB3 ))
      2.000     0.500     0.500 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.66823E-02 ppm1      7.703 ppm2      2.196 CV     1
 ASSI { 1353}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 100  and name HB3 ))
      2.000     0.500     0.500 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.66823E-02 ppm1      7.703 ppm2      2.196 CV     1
 ASSI { 1354}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 100  and name HB2 ))
      3.200     1.300     1.300 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.51909E-02 ppm1      7.703 ppm2      1.936 CV     1
 ASSI { 1354}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 100  and name HB2 ))
      3.200     1.300     1.300 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.51909E-02 ppm1      7.703 ppm2      1.936 CV     1
 ASSI { 1356}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 99   and name HN  ))
      2.500     0.800     0.800 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.33784E-02 ppm1      7.703 ppm2      8.839 CV     1
 ASSI { 1356}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 99   and name HN  ))
      2.500     0.800     0.800 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.33784E-02 ppm1      7.703 ppm2      8.839 CV     1
 ASSI { 1357}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 101  and name HB  ))
      4.400     2.400     1.600 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.59583E-03 ppm1      7.703 ppm2      4.230 CV     1
 ASSI { 1357}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 101  and name HB  ))
      4.400     2.400     1.600 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.59583E-03 ppm1      7.703 ppm2      4.230 CV     1
 ASSI { 1358}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 100  and name HA  ))
      2.500     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.41263E-02 ppm1      7.703 ppm2      4.078 CV     1
 ASSI { 1358}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 100  and name HA  ))
      2.500     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.41263E-02 ppm1      7.703 ppm2      4.078 CV     1
 ASSI { 1359}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 97   and name HA  ))
      3.100     1.200     1.200 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.17800E-02 ppm1      7.703 ppm2      3.905 CV     1
 ASSI { 1359}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 97   and name HA  ))
      3.100     1.200     1.200 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.17800E-02 ppm1      7.703 ppm2      3.905 CV     1
 ASSI { 1360}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 99   and name HA2 ))
      2.600     0.900     0.900 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.25775E-02 ppm1      7.703 ppm2      3.537 CV     1
 OR { 1360}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 99   and name HA1 ))
 ASSI { 1360}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 99   and name HA2 ))
      2.600     0.900     0.900 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.25775E-02 ppm1      7.703 ppm2      3.537 CV     1
 OR { 1360}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 99   and name HA1 ))
 ASSI { 1363}
   (( segid "A   " and resid 62   and name HN  ))
   (  segid "A   " and resid 59   and name HG2%)
      3.700     1.700     1.700 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.12281E-02 ppm1      7.974 ppm2      0.681 CV     1
 ASSI { 1363}
   (( segid "B   " and resid 62   and name HN  ))
   (  segid "B   " and resid 59   and name HG2%)
      3.700     1.700     1.700 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.12281E-02 ppm1      7.974 ppm2      0.681 CV     1
 ASSI { 1364}
   (( segid "A   " and resid 62   and name HN  ))
   (  segid "A   " and resid 62   and name HD% )
      3.500     1.500     1.500 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.17086E-02 ppm1      7.974 ppm2      6.740 CV     1
 ASSI { 1364}
   (( segid "B   " and resid 62   and name HN  ))
   (  segid "B   " and resid 62   and name HD% )
      3.500     1.500     1.500 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.17086E-02 ppm1      7.974 ppm2      6.740 CV     1
 ASSI { 1365}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 61   and name HA  ))
      2.100     0.600     0.600 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.13563E-01 ppm1      7.974 ppm2      4.944 CV     1
 ASSI { 1365}
   (( segid "B   " and resid 62   and name HN  ))
   (( segid "B   " and resid 61   and name HA  ))
      2.100     0.600     0.600 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.13563E-01 ppm1      7.974 ppm2      4.944 CV     1
 ASSI { 1366}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 61   and name HB3 ))
      4.400     2.400     1.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.12525E-02 ppm1      7.974 ppm2      3.191 CV     1
 ASSI { 1366}
   (( segid "B   " and resid 62   and name HN  ))
   (( segid "B   " and resid 61   and name HB3 ))
      4.400     2.400     1.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.12525E-02 ppm1      7.974 ppm2      3.191 CV     1
 ASSI { 1367}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 62   and name HB3 ))
      2.300     0.700     0.700 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.98736E-02 ppm1      7.974 ppm2      2.737 CV     1
 OR { 1367}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 62   and name HB2 ))
 ASSI { 1367}
   (( segid "B   " and resid 62   and name HN  ))
   (( segid "B   " and resid 62   and name HB3 ))
      2.300     0.700     0.700 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.98736E-02 ppm1      7.974 ppm2      2.737 CV     1
 OR { 1367}
   (( segid "B   " and resid 62   and name HN  ))
   (( segid "B   " and resid 62   and name HB2 ))
 ASSI { 1369}
   (( segid "A   " and resid 62   and name HN  ))
   (  segid "A   " and resid 41   and name HG2%)
      3.500     1.600     1.600 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.11178E-02 ppm1      7.974 ppm2      0.811 CV     1
 ASSI { 1369}
   (( segid "B   " and resid 62   and name HN  ))
   (  segid "B   " and resid 41   and name HG2%)
      3.500     1.600     1.600 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.11178E-02 ppm1      7.974 ppm2      0.811 CV     1
 ASSI { 1371}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 25   and name HB3 ))
      3.300     1.400     1.400 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      9.067 ppm2      1.806 CV     1
 ASSI { 1371}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 25   and name HB3 ))
      3.300     1.400     1.400 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      9.067 ppm2      1.806 CV     1
 ASSI { 1372}
   (( segid "A   " and resid 30   and name HN  ))
   (  segid "A   " and resid 30   and name HB% )
      2.300     0.700     0.700 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.78093E-02 ppm1      9.067 ppm2      1.611 CV     1
 ASSI { 1372}
   (( segid "B   " and resid 30   and name HN  ))
   (  segid "B   " and resid 30   and name HB% )
      2.300     0.700     0.700 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.78093E-02 ppm1      9.067 ppm2      1.611 CV     1
 ASSI { 1377}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 33   and name HN  ))
      4.500     2.600     1.500 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.36205E-03 ppm1      9.067 ppm2      7.844 CV     1
 ASSI { 1377}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 33   and name HN  ))
      4.500     2.600     1.500 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.36205E-03 ppm1      9.067 ppm2      7.844 CV     1
 ASSI { 1380}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 25   and name HA  ))
      5.600     3.900     0.400 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.25655E-03 ppm1      9.067 ppm2      5.052 CV     1
 ASSI { 1380}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 25   and name HA  ))
      5.600     3.900     0.400 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.25655E-03 ppm1      9.067 ppm2      5.052 CV     1
 ASSI { 1381}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.27478E-02 ppm1      9.067 ppm2      4.511 CV     1
 ASSI { 1381}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.27478E-02 ppm1      9.067 ppm2      4.511 CV     1
 ASSI { 1384}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      2.900     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.22977E-02 ppm1      9.067 ppm2      3.949 CV     1
 ASSI { 1384}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
      2.900     1.000     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.22977E-02 ppm1      9.067 ppm2      3.949 CV     1
 ASSI { 1386}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      3.800     1.900     1.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.64760E-03 ppm1      9.067 ppm2      3.754 CV     1
 ASSI { 1386}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
      3.800     1.900     1.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.64760E-03 ppm1      9.067 ppm2      3.754 CV     1
 ASSI { 1387}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HB3 ))
      3.100     1.200     1.200 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.21027E-02 ppm1      9.067 ppm2      2.953 CV     1
 ASSI { 1387}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HB3 ))
      3.100     1.200     1.200 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.21027E-02 ppm1      9.067 ppm2      2.953 CV     1
 ASSI { 1388}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 31   and name HB2 ))
      4.900     3.100     1.100 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.46348E-03 ppm1      9.067 ppm2      2.737 CV     1
 ASSI { 1388}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 31   and name HB2 ))
      4.900     3.100     1.100 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.46348E-03 ppm1      9.067 ppm2      2.737 CV     1
 ASSI { 1389}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HB2 ))
      3.400     1.400     1.400 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.16347E-02 ppm1      9.067 ppm2      2.564 CV     1
 ASSI { 1389}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.400     1.400     1.400 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.16347E-02 ppm1      9.067 ppm2      2.564 CV     1
 ASSI { 1390}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 24   and name HB2 ))
      2.800     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.32511E-02 ppm1      8.861 ppm2      2.196 CV     1
 OR { 1390}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 24   and name HB3 ))
 ASSI { 1390}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 24   and name HB2 ))
      2.800     0.900     0.900 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.32511E-02 ppm1      8.861 ppm2      2.196 CV     1
 OR { 1390}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 24   and name HB3 ))
 ASSI { 1391}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 23   and name HB  ))
      4.000     2.000     2.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.10833E-02 ppm1      8.861 ppm2      2.044 CV     1
 ASSI { 1391}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB  ))
      4.000     2.000     2.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.10833E-02 ppm1      8.861 ppm2      2.044 CV     1
 ASSI { 1395}
   (( segid "A   " and resid 24   and name HN  ))
   (  segid "A   " and resid 23   and name HG2%)
      4.200     2.200     1.800 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.17963E-02 ppm1      8.861 ppm2      0.832 CV     1
 ASSI { 1395}
   (( segid "B   " and resid 24   and name HN  ))
   (  segid "B   " and resid 23   and name HG2%)
      4.200     2.200     1.800 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.17963E-02 ppm1      8.861 ppm2      0.832 CV     1
 ASSI { 1397}
   (( segid "A   " and resid 24   and name HN  ))
   (  segid "A   " and resid 111  and name HD% )
      4.600     2.600     1.400 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.51647E-03 ppm1      8.861 ppm2      6.978 CV     1
 ASSI { 1397}
   (( segid "B   " and resid 24   and name HN  ))
   (  segid "B   " and resid 111  and name HD% )
      4.600     2.600     1.400 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.51647E-03 ppm1      8.861 ppm2      6.978 CV     1
 ASSI { 1398}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.16196E-02 ppm1      8.861 ppm2      5.225 CV     1
 ASSI { 1398}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.16196E-02 ppm1      8.861 ppm2      5.225 CV     1
 ASSI { 1399}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.80944E-02 ppm1      8.861 ppm2      4.273 CV     1
 ASSI { 1399}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.80944E-02 ppm1      8.861 ppm2      4.273 CV     1
 ASSI { 1400}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 24   and name HG3 ))
      3.800     1.800     1.800 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.22382E-02 ppm1      8.861 ppm2      2.910 CV     1
 ASSI { 1400}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 24   and name HG3 ))
      3.800     1.800     1.800 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.22382E-02 ppm1      8.861 ppm2      2.910 CV     1
 ASSI { 1401}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 24   and name HG2 ))
      2.700     0.900     0.900 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.23931E-02 ppm1      8.861 ppm2      2.650 CV     1
 ASSI { 1401}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 24   and name HG2 ))
      2.700     0.900     0.900 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.23931E-02 ppm1      8.861 ppm2      2.650 CV     1
 ASSI { 1402}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 120  and name HZ3 ))
      4.500     2.500     1.500 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.61595E-03 ppm1      9.067 ppm2      7.043 CV     1
 ASSI { 1402}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 120  and name HZ3 ))
      4.500     2.500     1.500 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.61595E-03 ppm1      9.067 ppm2      7.043 CV     1
 ASSI { 1403}
   (( segid "A   " and resid 117  and name HN  ))
   (( segid "A   " and resid 116  and name HA2 ))
      3.000     1.200     1.200 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.24288E-02 ppm1      8.904 ppm2      3.429 CV     1
 ASSI { 1403}
   (( segid "B   " and resid 117  and name HN  ))
   (( segid "B   " and resid 116  and name HA2 ))
      3.000     1.200     1.200 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.24288E-02 ppm1      8.904 ppm2      3.429 CV     1
 ASSI { 1410}
   (( segid "A   " and resid 117  and name HN  ))
   (( segid "A   " and resid 116  and name HA1 ))
      2.900     1.000     1.000 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.14899E-02 ppm1      8.915 ppm2      3.126 CV     1
 ASSI { 1410}
   (( segid "B   " and resid 117  and name HN  ))
   (( segid "B   " and resid 116  and name HA1 ))
      2.900     1.000     1.000 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.14899E-02 ppm1      8.915 ppm2      3.126 CV     1
 ASSI { 1412}
   (( segid "A   " and resid 117  and name HN  ))
   (( segid "A   " and resid 118  and name HB2 ))
      4.400     2.400     1.600 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.73777E-03 ppm1      8.926 ppm2      2.910 CV     1
 OR { 1412}
   (( segid "A   " and resid 117  and name HN  ))
   (( segid "A   " and resid 118  and name HB3 ))
 ASSI { 1412}
   (( segid "B   " and resid 117  and name HN  ))
   (( segid "B   " and resid 118  and name HB2 ))
      4.400     2.400     1.600 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.73777E-03 ppm1      8.926 ppm2      2.910 CV     1
 OR { 1412}
   (( segid "B   " and resid 117  and name HN  ))
   (( segid "B   " and resid 118  and name HB3 ))
 ASSI { 1413}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 110  and name HB  ))
      2.700     0.900     0.900 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.32991E-02 ppm1      8.071 ppm2      1.655 CV     1
 ASSI { 1413}
   (( segid "B   " and resid 110  and name HN  ))
   (( segid "B   " and resid 110  and name HB  ))
      2.700     0.900     0.900 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.32991E-02 ppm1      8.071 ppm2      1.655 CV     1
 ASSI { 1414}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 110  and name HG12))
      4.100     2.100     1.900 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.14463E-02 ppm1      8.071 ppm2      1.309 CV     1
 ASSI { 1414}
   (( segid "B   " and resid 110  and name HN  ))
   (( segid "B   " and resid 110  and name HG12))
      4.100     2.100     1.900 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.14463E-02 ppm1      8.071 ppm2      1.309 CV     1
 ASSI { 1415}
   (( segid "A   " and resid 110  and name HN  ))
   (  segid "A   " and resid 109  and name HG2%)
      3.200     1.300     1.300 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.31769E-02 ppm1      8.071 ppm2      1.027 CV     1
 ASSI { 1415}
   (( segid "B   " and resid 110  and name HN  ))
   (  segid "B   " and resid 109  and name HG2%)
      3.200     1.300     1.300 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.31769E-02 ppm1      8.071 ppm2      1.027 CV     1
 ASSI { 1416}
   (( segid "A   " and resid 110  and name HN  ))
   (  segid "A   " and resid 110  and name HG2%)
      2.600     0.900     0.900 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.40664E-02 ppm1      8.071 ppm2      0.768 CV     1
 ASSI { 1416}
   (( segid "B   " and resid 110  and name HN  ))
   (  segid "B   " and resid 110  and name HG2%)
      2.600     0.900     0.900 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.40664E-02 ppm1      8.071 ppm2      0.768 CV     1
 ASSI { 1417}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 109  and name HN  ))
      3.500     1.500     1.500 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.12048E-02 ppm1      8.071 ppm2      9.121 CV     1
 ASSI { 1417}
   (( segid "B   " and resid 110  and name HN  ))
   (( segid "B   " and resid 109  and name HN  ))
      3.500     1.500     1.500 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.12048E-02 ppm1      8.071 ppm2      9.121 CV     1
 ASSI { 1418}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 110  and name HA  ))
      3.100     1.200     1.200 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.13489E-02 ppm1      8.071 ppm2      4.555 CV     1
 ASSI { 1418}
   (( segid "B   " and resid 110  and name HN  ))
   (( segid "B   " and resid 110  and name HA  ))
      3.100     1.200     1.200 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.13489E-02 ppm1      8.071 ppm2      4.555 CV     1
 ASSI { 1419}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 109  and name HA  ))
      2.200     0.600     0.600 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.10562E-01 ppm1      8.071 ppm2      4.317 CV     1
 ASSI { 1419}
   (( segid "B   " and resid 110  and name HN  ))
   (( segid "B   " and resid 109  and name HA  ))
      2.200     0.600     0.600 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.10562E-01 ppm1      8.071 ppm2      4.317 CV     1
 ASSI { 1420}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 109  and name HB  ))
      4.000     2.000     2.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.83606E-03 ppm1      8.071 ppm2      3.711 CV     1
 ASSI { 1420}
   (( segid "B   " and resid 110  and name HN  ))
   (( segid "B   " and resid 109  and name HB  ))
      4.000     2.000     2.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.83606E-03 ppm1      8.071 ppm2      3.711 CV     1
 ASSI { 1422}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 86   and name HB  ))
      4.600     2.700     1.400 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.24384E-03 ppm1      9.088 ppm2      1.871 CV     1
 ASSI { 1422}
   (( segid "B   " and resid 111  and name HN  ))
   (( segid "B   " and resid 86   and name HB  ))
      4.600     2.700     1.400 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.24384E-03 ppm1      9.088 ppm2      1.871 CV     1
 ASSI { 1425}
   (( segid "A   " and resid 111  and name HN  ))
   (  segid "A   " and resid 111  and name HD% )
      2.800     0.900     0.900 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.17558E-02 ppm1      9.088 ppm2      6.978 CV     1
 ASSI { 1425}
   (( segid "B   " and resid 111  and name HN  ))
   (  segid "B   " and resid 111  and name HD% )
      2.800     0.900     0.900 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.17558E-02 ppm1      9.088 ppm2      6.978 CV     1
 ASSI { 1426}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 111  and name HA  ))
      3.000     1.100     1.100 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.13187E-02 ppm1      9.088 ppm2      5.766 CV     1
 ASSI { 1426}
   (( segid "B   " and resid 111  and name HN  ))
   (( segid "B   " and resid 111  and name HA  ))
      3.000     1.100     1.100 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.13187E-02 ppm1      9.088 ppm2      5.766 CV     1
 ASSI { 1428}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 111  and name HB3 ))
      3.500     1.600     1.600 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.14036E-02 ppm1      9.088 ppm2      3.018 CV     1
 ASSI { 1428}
   (( segid "B   " and resid 111  and name HN  ))
   (( segid "B   " and resid 111  and name HB3 ))
      3.500     1.600     1.600 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.14036E-02 ppm1      9.088 ppm2      3.018 CV     1
 ASSI { 1429}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 111  and name HB2 ))
      3.000     1.100     1.100 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.12357E-02 ppm1      9.088 ppm2      2.888 CV     1
 ASSI { 1429}
   (( segid "B   " and resid 111  and name HN  ))
   (( segid "B   " and resid 111  and name HB2 ))
      3.000     1.100     1.100 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.12357E-02 ppm1      9.088 ppm2      2.888 CV     1
 ASSI { 1431}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 110  and name HN  ))
      4.800     2.900     1.200 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.28388E-03 ppm1      9.099 ppm2      8.060 CV     1
 ASSI { 1431}
   (( segid "B   " and resid 111  and name HN  ))
   (( segid "B   " and resid 110  and name HN  ))
      4.800     2.900     1.200 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.28388E-03 ppm1      9.099 ppm2      8.060 CV     1
 ASSI { 1432}
   (( segid "A   " and resid 111  and name HN  ))
   (  segid "A   " and resid 25   and name HD1%)
      4.700     2.700     1.300 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.69940E-03 ppm1      9.099 ppm2      0.573 CV     1
 ASSI { 1432}
   (( segid "B   " and resid 111  and name HN  ))
   (  segid "B   " and resid 25   and name HD1%)
      4.700     2.700     1.300 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.69940E-03 ppm1      9.099 ppm2      0.573 CV     1
 ASSI { 1434}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 110  and name HA  ))
      2.300     0.600     0.600 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.52364E-02 ppm1      9.099 ppm2      4.555 CV     1
 ASSI { 1434}
   (( segid "B   " and resid 111  and name HN  ))
   (( segid "B   " and resid 110  and name HA  ))
      2.300     0.600     0.600 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.52364E-02 ppm1      9.099 ppm2      4.555 CV     1
 ASSI { 1438}
   (( segid "A   " and resid 112  and name HD21))
   (( segid "A   " and resid 96   and name HA  ))
      3.500     1.500     1.500 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.80346E-03 ppm1      5.734 ppm2      3.819 CV     1
 ASSI { 1438}
   (( segid "B   " and resid 112  and name HD21))
   (( segid "B   " and resid 96   and name HA  ))
      3.500     1.500     1.500 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.80346E-03 ppm1      5.734 ppm2      3.819 CV     1
 ASSI { 1439}
   (( segid "A   " and resid 112  and name HD21))
   (( segid "A   " and resid 112  and name HB3 ))
      3.000     1.100     1.100 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.81616E-03 ppm1      5.734 ppm2      3.494 CV     1
 ASSI { 1439}
   (( segid "B   " and resid 112  and name HD21))
   (( segid "B   " and resid 112  and name HB3 ))
      3.000     1.100     1.100 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.81616E-03 ppm1      5.734 ppm2      3.494 CV     1
 ASSI { 1442}
   (( segid "A   " and resid 112  and name HD21))
   (( segid "A   " and resid 112  and name HD22))
      2.600     0.800     0.800 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.12729E-02 ppm1      5.745 ppm2      6.416 CV     1
 ASSI { 1442}
   (( segid "B   " and resid 112  and name HD21))
   (( segid "B   " and resid 112  and name HD22))
      2.600     0.800     0.800 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.12729E-02 ppm1      5.745 ppm2      6.416 CV     1
 ASSI { 1444}
   (( segid "A   " and resid 112  and name HD22))
   (( segid "A   " and resid 112  and name HB2 ))
      4.500     2.600     1.500 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.49129E-03 ppm1      6.437 ppm2      2.672 CV     1
 ASSI { 1444}
   (( segid "B   " and resid 112  and name HD22))
   (( segid "B   " and resid 112  and name HB2 ))
      4.500     2.600     1.500 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.49129E-03 ppm1      6.437 ppm2      2.672 CV     1
 ASSI { 1447}
   (( segid "A   " and resid 112  and name HD21))
   (( segid "A   " and resid 112  and name HB2 ))
      3.300     1.400     1.400 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.65361E-03 ppm1      5.734 ppm2      2.672 CV     1
 ASSI { 1447}
   (( segid "B   " and resid 112  and name HD21))
   (( segid "B   " and resid 112  and name HB2 ))
      3.300     1.400     1.400 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.65361E-03 ppm1      5.734 ppm2      2.672 CV     1
 ASSI { 1450}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 43   and name HG12))
      4.200     2.200     1.800 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.81569E-03 ppm1      9.164 ppm2      0.616 CV     1
 ASSI { 1450}
   (( segid "B   " and resid 43   and name HN  ))
   (( segid "B   " and resid 43   and name HG12))
      4.200     2.200     1.800 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.81569E-03 ppm1      9.164 ppm2      0.616 CV     1
 ASSI { 1451}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 42   and name HD2%)
      4.200     2.200     1.800 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.13336E-02 ppm1      9.164 ppm2      0.378 CV     1
 ASSI { 1451}
   (( segid "B   " and resid 43   and name HN  ))
   (  segid "B   " and resid 42   and name HD2%)
      4.200     2.200     1.800 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.13336E-02 ppm1      9.164 ppm2      0.378 CV     1
 ASSI { 1452}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      2.400     0.700     0.700 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.41024E-02 ppm1      9.164 ppm2      5.052 CV     1
 ASSI { 1452}
   (( segid "B   " and resid 43   and name HN  ))
   (( segid "B   " and resid 42   and name HA  ))
      2.400     0.700     0.700 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.41024E-02 ppm1      9.164 ppm2      5.052 CV     1
 ASSI { 1453}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HB3 ))
      4.300     2.400     1.700 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.55362E-03 ppm1      9.175 ppm2      1.676 CV     1
 ASSI { 1453}
   (( segid "B   " and resid 43   and name HN  ))
   (( segid "B   " and resid 42   and name HB3 ))
      4.300     2.400     1.700 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.55362E-03 ppm1      9.175 ppm2      1.676 CV     1
 ASSI { 1454}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 43   and name HB  ))
      2.600     0.900     0.900 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.21380E-02 ppm1      9.175 ppm2      1.568 CV     1
 ASSI { 1454}
   (( segid "B   " and resid 43   and name HN  ))
   (( segid "B   " and resid 43   and name HB  ))
      2.600     0.900     0.900 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.21380E-02 ppm1      9.175 ppm2      1.568 CV     1
 ASSI { 1455}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HG  ))
      2.700     0.900     0.900 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.22130E-02 ppm1      9.175 ppm2      1.287 CV     1
 ASSI { 1455}
   (( segid "B   " and resid 43   and name HN  ))
   (( segid "B   " and resid 42   and name HG  ))
      2.700     0.900     0.900 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.22130E-02 ppm1      9.175 ppm2      1.287 CV     1
 ASSI { 1457}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 43   and name HD1%)
      3.300     1.300     1.300 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.16311E-02 ppm1      9.175 ppm2      0.465 CV     1
 ASSI { 1457}
   (( segid "B   " and resid 43   and name HN  ))
   (  segid "B   " and resid 43   and name HD1%)
      3.300     1.300     1.300 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.16311E-02 ppm1      9.175 ppm2      0.465 CV     1
 ASSI { 1458}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 42   and name HD1%)
      3.900     1.900     1.900 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.47593E-03 ppm1      9.175 ppm2      0.248 CV     1
 ASSI { 1458}
   (( segid "B   " and resid 43   and name HN  ))
   (  segid "B   " and resid 42   and name HD1%)
      3.900     1.900     1.900 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.47593E-03 ppm1      9.175 ppm2      0.248 CV     1
 ASSI { 1460}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.96169E-03 ppm1      9.175 ppm2      4.381 CV     1
 ASSI { 1460}
   (( segid "B   " and resid 43   and name HN  ))
   (( segid "B   " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.96169E-03 ppm1      9.175 ppm2      4.381 CV     1
 ASSI { 1461}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 86   and name HN  ))
      4.300     2.300     1.700 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.50496E-03 ppm1      9.175 ppm2      8.753 CV     1
 ASSI { 1461}
   (( segid "B   " and resid 43   and name HN  ))
   (( segid "B   " and resid 86   and name HN  ))
      4.300     2.300     1.700 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.50496E-03 ppm1      9.175 ppm2      8.753 CV     1
 ASSI { 1463}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HB2 ))
      3.100     1.200     1.200 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.16527E-02 ppm1      8.417 ppm2      2.304 CV     1
 ASSI { 1463}
   (( segid "B   " and resid 44   and name HN  ))
   (( segid "B   " and resid 44   and name HB2 ))
      3.100     1.200     1.200 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.16527E-02 ppm1      8.417 ppm2      2.304 CV     1
 ASSI { 1466}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      2.300     0.600     0.600 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.53469E-02 ppm1      8.417 ppm2      4.381 CV     1
 ASSI { 1466}
   (( segid "B   " and resid 44   and name HN  ))
   (( segid "B   " and resid 43   and name HA  ))
      2.300     0.600     0.600 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.53469E-02 ppm1      8.417 ppm2      4.381 CV     1
 ASSI { 1467}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HB3 ))
      2.600     0.900     0.900 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.20397E-02 ppm1      8.417 ppm2      2.932 CV     1
 ASSI { 1467}
   (( segid "B   " and resid 44   and name HN  ))
   (( segid "B   " and resid 44   and name HB3 ))
      2.600     0.900     0.900 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.20397E-02 ppm1      8.417 ppm2      2.932 CV     1
 ASSI { 1468}
   (( segid "A   " and resid 44   and name HN  ))
   (  segid "A   " and resid 43   and name HD1%)
      4.100     2.100     1.900 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.23847E-02 ppm1      8.428 ppm2      0.465 CV     1
 ASSI { 1468}
   (( segid "B   " and resid 44   and name HN  ))
   (  segid "B   " and resid 43   and name HD1%)
      4.100     2.100     1.900 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.23847E-02 ppm1      8.428 ppm2      0.465 CV     1
 ASSI { 1469}
   (( segid "A   " and resid 44   and name HN  ))
   (  segid "A   " and resid 42   and name HD2%)
      3.600     1.600     1.600 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.14810E-02 ppm1      8.428 ppm2      0.356 CV     1
 ASSI { 1469}
   (( segid "B   " and resid 44   and name HN  ))
   (  segid "B   " and resid 42   and name HD2%)
      3.600     1.600     1.600 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.14810E-02 ppm1      8.428 ppm2      0.356 CV     1
 ASSI { 1470}
   (( segid "A   " and resid 44   and name HN  ))
   (  segid "A   " and resid 62   and name HE% )
      3.400     1.500     1.500 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.69174E-03 ppm1      8.428 ppm2      6.524 CV     1
 ASSI { 1470}
   (( segid "B   " and resid 44   and name HN  ))
   (  segid "B   " and resid 62   and name HE% )
      3.400     1.500     1.500 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.69174E-03 ppm1      8.428 ppm2      6.524 CV     1
 ASSI { 1471}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      3.000     1.100     1.100 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.15532E-02 ppm1      8.428 ppm2      5.117 CV     1
 ASSI { 1471}
   (( segid "B   " and resid 44   and name HN  ))
   (( segid "B   " and resid 44   and name HA  ))
      3.000     1.100     1.100 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.15532E-02 ppm1      8.428 ppm2      5.117 CV     1
 ASSI { 1472}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 42   and name HB3 ))
      3.700     1.700     1.700 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.80776E-03 ppm1      8.471 ppm2      1.676 CV     1
 ASSI { 1472}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 42   and name HB3 ))
      3.700     1.700     1.700 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.80776E-03 ppm1      8.471 ppm2      1.676 CV     1
 ASSI { 1473}
   (( segid "A   " and resid 63   and name HN  ))
   (  segid "A   " and resid 42   and name HD2%)
      3.900     1.900     1.900 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.10554E-02 ppm1      8.471 ppm2      0.378 CV     1
 ASSI { 1473}
   (( segid "B   " and resid 63   and name HN  ))
   (  segid "B   " and resid 42   and name HD2%)
      3.900     1.900     1.900 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.10554E-02 ppm1      8.471 ppm2      0.378 CV     1
 ASSI { 1474}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HN  ))
      4.200     2.200     1.800 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.67733E-03 ppm1      8.471 ppm2      7.952 CV     1
 ASSI { 1474}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 62   and name HN  ))
      4.200     2.200     1.800 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.67733E-03 ppm1      8.471 ppm2      7.952 CV     1
 ASSI { 1475}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 63   and name HB3 ))
      3.300     1.400     1.400 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.25991E-02 ppm1      8.482 ppm2      1.417 CV     1
 ASSI { 1475}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 63   and name HB3 ))
      3.300     1.400     1.400 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.25991E-02 ppm1      8.482 ppm2      1.417 CV     1
 ASSI { 1478}
   (( segid "A   " and resid 63   and name HN  ))
   (  segid "A   " and resid 41   and name HG2%)
      3.300     1.400     1.400 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.32704E-02 ppm1      8.482 ppm2      0.811 CV     1
 ASSI { 1478}
   (( segid "B   " and resid 63   and name HN  ))
   (  segid "B   " and resid 41   and name HG2%)
      3.300     1.400     1.400 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.32704E-02 ppm1      8.482 ppm2      0.811 CV     1
 ASSI { 1479}
   (( segid "A   " and resid 63   and name HN  ))
   (  segid "A   " and resid 59   and name HG2%)
      4.300     2.300     1.700 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.12856E-02 ppm1      8.482 ppm2      0.681 CV     1
 ASSI { 1479}
   (( segid "B   " and resid 63   and name HN  ))
   (  segid "B   " and resid 59   and name HG2%)
      4.300     2.300     1.700 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.12856E-02 ppm1      8.482 ppm2      0.681 CV     1
 ASSI { 1480}
   (( segid "A   " and resid 63   and name HN  ))
   (  segid "A   " and resid 43   and name HD1%)
      4.800     2.800     1.200 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.72074E-03 ppm1      8.482 ppm2      0.465 CV     1
 ASSI { 1480}
   (( segid "B   " and resid 63   and name HN  ))
   (  segid "B   " and resid 43   and name HD1%)
      4.800     2.800     1.200 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.72074E-03 ppm1      8.482 ppm2      0.465 CV     1
 ASSI { 1481}
   (( segid "A   " and resid 63   and name HN  ))
   (  segid "A   " and resid 62   and name HD% )
      3.100     1.200     1.200 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.14288E-02 ppm1      8.482 ppm2      6.740 CV     1
 ASSI { 1481}
   (( segid "B   " and resid 63   and name HN  ))
   (  segid "B   " and resid 62   and name HD% )
      3.100     1.200     1.200 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.14288E-02 ppm1      8.482 ppm2      6.740 CV     1
 ASSI { 1483}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HA  ))
      2.100     0.600     0.600 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.89457E-02 ppm1      8.482 ppm2      4.858 CV     1
 ASSI { 1483}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 62   and name HA  ))
      2.100     0.600     0.600 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.89457E-02 ppm1      8.482 ppm2      4.858 CV     1
 ASSI { 1484}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.34526E-02 ppm1      8.482 ppm2      4.252 CV     1
 ASSI { 1484}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.34526E-02 ppm1      8.482 ppm2      4.252 CV     1
 ASSI { 1485}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 64   and name HN  ))
      3.700     1.700     1.700 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.14173E-02 ppm1      8.482 ppm2      8.623 CV     1
 ASSI { 1485}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 64   and name HN  ))
      3.700     1.700     1.700 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.14173E-02 ppm1      8.482 ppm2      8.623 CV     1
 ASSI { 1486}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HB2 ))
      3.600     1.600     1.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.20850E-02 ppm1      8.482 ppm2      2.737 CV     1
 OR { 1486}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 62   and name HB3 ))
 ASSI { 1486}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 62   and name HB2 ))
      3.600     1.600     1.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.20850E-02 ppm1      8.482 ppm2      2.737 CV     1
 OR { 1486}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 62   and name HB3 ))
 ASSI { 1490}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      2.900     1.000     1.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.17491E-02 ppm1      8.482 ppm2      5.052 CV     1
 ASSI { 1490}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 42   and name HA  ))
      2.900     1.000     1.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.17491E-02 ppm1      8.482 ppm2      5.052 CV     1
 ASSI { 1493}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HB3 ))
      2.500     0.800     0.800 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.23675E-02 ppm1      8.493 ppm2      1.676 CV     1
 ASSI { 1493}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 42   and name HB3 ))
      2.500     0.800     0.800 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.23675E-02 ppm1      8.493 ppm2      1.676 CV     1
 ASSI { 1495}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 41   and name HG2%)
      2.400     0.700     0.700 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.62315E-02 ppm1      8.493 ppm2      0.811 CV     1
 ASSI { 1495}
   (( segid "B   " and resid 42   and name HN  ))
   (  segid "B   " and resid 41   and name HG2%)
      2.400     0.700     0.700 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.62315E-02 ppm1      8.493 ppm2      0.811 CV     1
 ASSI { 1498}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.48842E-03 ppm1      8.493 ppm2      9.164 CV     1
 ASSI { 1498}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.48842E-03 ppm1      8.493 ppm2      9.164 CV     1
 ASSI { 1499}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      4.500     2.500     1.500 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.37932E-03 ppm1      8.493 ppm2      7.130 CV     1
 ASSI { 1499}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 41   and name HN  ))
      4.500     2.500     1.500 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.37932E-03 ppm1      8.493 ppm2      7.130 CV     1
 ASSI { 1500}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      2.200     0.600     0.600 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.71857E-02 ppm1      8.493 ppm2      4.230 CV     1
 ASSI { 1500}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 41   and name HA  ))
      2.200     0.600     0.600 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.71857E-02 ppm1      8.493 ppm2      4.230 CV     1
 ASSI { 1501}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HB  ))
      3.900     1.900     1.900 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.43134E-03 ppm1      8.493 ppm2      3.624 CV     1
 ASSI { 1501}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 41   and name HB  ))
      3.900     1.900     1.900 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.43134E-03 ppm1      8.493 ppm2      3.624 CV     1
 ASSI { 1506}
   (( segid "A   " and resid 120  and name HE1 ))
   (  segid "A   " and resid 121  and name HD2%)
      4.100     2.100     1.900 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.69461E-03 ppm1      9.824 ppm2      0.984 CV     1
 ASSI { 1506}
   (( segid "B   " and resid 120  and name HE1 ))
   (  segid "B   " and resid 121  and name HD2%)
      4.100     2.100     1.900 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.69461E-03 ppm1      9.824 ppm2      0.984 CV     1
 ASSI { 1507}
   (( segid "A   " and resid 120  and name HE1 ))
   (( segid "A   " and resid 57   and name HB3 ))
      4.000     2.000     2.000 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.45365E-03 ppm1      9.824 ppm2      0.789 CV     1
 ASSI { 1507}
   (( segid "B   " and resid 120  and name HE1 ))
   (( segid "B   " and resid 57   and name HB3 ))
      4.000     2.000     2.000 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.45365E-03 ppm1      9.824 ppm2      0.789 CV     1
 ASSI { 1508}
   (( segid "A   " and resid 120  and name HE1 ))
   (( segid "A   " and resid 57   and name HB2 ))
      4.700     2.800     1.300 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.65288E-03 ppm1      9.824 ppm2      0.248 CV     1
 ASSI { 1508}
   (( segid "B   " and resid 120  and name HE1 ))
   (( segid "B   " and resid 57   and name HB2 ))
      4.700     2.800     1.300 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.65288E-03 ppm1      9.824 ppm2      0.248 CV     1
 ASSI { 1510}
   (( segid "A   " and resid 120  and name HE1 ))
   (  segid "A   " and resid 125  and name HD1%)
      3.000     1.100     1.100 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.23497E-02 ppm1      9.824 ppm2     -0.185 CV     1
 ASSI { 1510}
   (( segid "B   " and resid 120  and name HE1 ))
   (  segid "B   " and resid 125  and name HD1%)
      3.000     1.100     1.100 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.23497E-02 ppm1      9.824 ppm2     -0.185 CV     1
 ASSI { 1511}
   (( segid "A   " and resid 120  and name HE1 ))
   (( segid "A   " and resid 120  and name HZ2 ))
      2.800     1.000     1.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.25127E-02 ppm1      9.824 ppm2      7.043 CV     1
 ASSI { 1511}
   (( segid "B   " and resid 120  and name HE1 ))
   (( segid "B   " and resid 120  and name HZ2 ))
      2.800     1.000     1.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.25127E-02 ppm1      9.824 ppm2      7.043 CV     1
 ASSI { 1513}
   (( segid "A   " and resid 120  and name HE1 ))
   (( segid "A   " and resid 120  and name HD1 ))
      2.400     0.700     0.700 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.50710E-02 ppm1      9.824 ppm2      6.589 CV     1
 ASSI { 1513}
   (( segid "B   " and resid 120  and name HE1 ))
   (( segid "B   " and resid 120  and name HD1 ))
      2.400     0.700     0.700 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.50710E-02 ppm1      9.824 ppm2      6.589 CV     1
 ASSI { 1515}
   (( segid "A   " and resid 120  and name HE1 ))
   (( segid "A   " and resid 57   and name HA  ))
      2.400     0.800     0.800 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.21425E-02 ppm1      9.824 ppm2      4.014 CV     1
 ASSI { 1515}
   (( segid "B   " and resid 120  and name HE1 ))
   (( segid "B   " and resid 57   and name HA  ))
      2.400     0.800     0.800 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.21425E-02 ppm1      9.824 ppm2      4.014 CV     1
 ASSI { 1516}
   (( segid "A   " and resid 120  and name HE1 ))
   (( segid "A   " and resid 125  and name HA  ))
      4.400     2.400     1.600 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.56442E-03 ppm1      9.824 ppm2      3.862 CV     1
 ASSI { 1516}
   (( segid "B   " and resid 120  and name HE1 ))
   (( segid "B   " and resid 125  and name HA  ))
      4.400     2.400     1.600 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.56442E-03 ppm1      9.824 ppm2      3.862 CV     1
 ASSI { 1519}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 64   and name HB3 ))
      4.200     2.200     1.800 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.10427E-02 ppm1      7.974 ppm2      3.299 CV     1
 ASSI { 1519}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 64   and name HB3 ))
      4.200     2.200     1.800 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.10427E-02 ppm1      7.974 ppm2      3.299 CV     1
 ASSI { 1520}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 65   and name HB3 ))
      3.900     1.900     1.900 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.11624E-02 ppm1      7.985 ppm2      1.503 CV     1
 ASSI { 1520}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 65   and name HB3 ))
      3.900     1.900     1.900 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.11624E-02 ppm1      7.985 ppm2      1.503 CV     1
 ASSI { 1522}
   (( segid "A   " and resid 65   and name HN  ))
   (  segid "A   " and resid 43   and name HD1%)
      4.600     2.700     1.400 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.79146E-03 ppm1      7.985 ppm2      0.465 CV     1
 ASSI { 1522}
   (( segid "B   " and resid 65   and name HN  ))
   (  segid "B   " and resid 43   and name HD1%)
      4.600     2.700     1.400 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.79146E-03 ppm1      7.985 ppm2      0.465 CV     1
 ASSI { 1524}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 64   and name HD2 ))
      2.900     1.000     1.000 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.24720E-02 ppm1      7.985 ppm2      7.000 CV     1
 ASSI { 1524}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 64   and name HD2 ))
      2.900     1.000     1.000 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.24720E-02 ppm1      7.985 ppm2      7.000 CV     1
 ASSI { 1525}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.59846E-02 ppm1      7.985 ppm2      5.031 CV     1
 ASSI { 1525}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.59846E-02 ppm1      7.985 ppm2      5.031 CV     1
 ASSI { 1530}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.19953E-02 ppm1      7.985 ppm2      3.776 CV     1
 ASSI { 1530}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.19953E-02 ppm1      7.985 ppm2      3.776 CV     1
 ASSI { 1531}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 65   and name HG2 ))
      4.300     2.300     1.700 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.55697E-03 ppm1      7.995 ppm2      1.850 CV     1
 ASSI { 1531}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 65   and name HG2 ))
      4.300     2.300     1.700 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.55697E-03 ppm1      7.995 ppm2      1.850 CV     1
 ASSI { 1532}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 65   and name HB2 ))
      3.100     1.200     1.200 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.91182E-03 ppm1      7.995 ppm2      1.309 CV     1
 ASSI { 1532}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 65   and name HB2 ))
      3.100     1.200     1.200 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.91182E-03 ppm1      7.995 ppm2      1.309 CV     1
 ASSI {  717}
   (( segid "B   " and resid 67   and name HN  ))
   (  segid "B   " and resid 45   and name HG2%)
      4.400     2.400     1.600 peak   717 spectrum    1 weight  0.10000E+01 volume  0.61906E-03 ppm1      8.331 ppm2      0.681 CV     1
 ASSI {  875}
   (( segid "B   " and resid 96   and name HN  ))
   (( segid "B   " and resid 97   and name HB3 ))
      4.400     2.400     1.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.16064E-02 ppm1      7.584 ppm2      1.936 CV     1
 ASSI {  901}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 73   and name HB3 ))
      4.500     2.500     1.500 peak   901 spectrum    1 weight  0.10000E+01 volume  0.47642E-03 ppm1      8.287 ppm2      1.806 CV     1
 ASSI { 1124}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 13   and name HA  ))
      4.400     2.400     1.600 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.43686E-03 ppm1      8.417 ppm2      4.122 CV     1
 ASSI { 1534}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.23953E-02 ppm1      1.810 ppm2      8.909 CV     1
 ASSI { 1534}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.23953E-02 ppm1      1.810 ppm2      8.909 CV     1
 ASSI { 1535}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.38195E-02 ppm1      1.810 ppm2      5.236 CV     1
 ASSI { 1535}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.38195E-02 ppm1      1.810 ppm2      5.236 CV     1
 ASSI { 1536}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 40   and name HA  ))
      3.900     1.900     1.900 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.14994E-02 ppm1      0.779 ppm2      4.299 CV     1
 ASSI { 1536}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 40   and name HA  ))
      3.900     1.900     1.900 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.14994E-02 ppm1      0.779 ppm2      4.299 CV     1
 ASSI { 1540}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 24   and name HG3 ))
      2.400     0.700     0.700 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.36191E-02 ppm1      1.810 ppm2      2.892 CV     1
 ASSI { 1540}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 24   and name HG3 ))
      2.400     0.700     0.700 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.36191E-02 ppm1      1.810 ppm2      2.892 CV     1
 ASSI { 1542}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 40   and name HB  ))
      2.500     0.800     0.800 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.46023E-02 ppm1      0.779 ppm2      1.837 CV     1
 ASSI { 1542}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 40   and name HB  ))
      2.500     0.800     0.800 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.46023E-02 ppm1      0.779 ppm2      1.837 CV     1
 ASSI { 1543}
   (  segid "A   " and resid 40   and name HD1%)
   (  segid "A   " and resid 109  and name HG2%)
      3.600     1.600     1.600 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.22997E-02 ppm1      0.779 ppm2      1.016 CV     1
 ASSI { 1543}
   (  segid "B   " and resid 40   and name HD1%)
   (  segid "B   " and resid 109  and name HG2%)
      3.600     1.600     1.600 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.22997E-02 ppm1      0.779 ppm2      1.016 CV     1
 ASSI { 1546}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 37   and name HB3 ))
      3.300     1.400     1.400 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.26098E-02 ppm1      0.779 ppm2      2.892 CV     1
 ASSI { 1546}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 37   and name HB3 ))
      3.300     1.400     1.400 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.26098E-02 ppm1      0.779 ppm2      2.892 CV     1
 ASSI { 1548}
   (  segid "A   " and resid 40   and name HD1%)
   (  segid "A   " and resid 111  and name HD% )
      4.100     2.100     1.900 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.67988E-03 ppm1      0.767 ppm2      6.995 CV     1
 ASSI { 1548}
   (  segid "B   " and resid 40   and name HD1%)
   (  segid "B   " and resid 111  and name HD% )
      4.100     2.100     1.900 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.67988E-03 ppm1      0.767 ppm2      6.995 CV     1
 ASSI { 1549}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 37   and name HB2 ))
      2.800     1.000     1.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.22681E-02 ppm1      0.779 ppm2      2.618 CV     1
 ASSI { 1549}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 37   and name HB2 ))
      2.800     1.000     1.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.22681E-02 ppm1      0.779 ppm2      2.618 CV     1
 ASSI { 1552}
   (  segid "A   " and resid 40   and name HD1%)
   (  segid "A   " and resid 111  and name HE% )
      3.200     1.300     1.300 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.15393E-02 ppm1      0.779 ppm2      6.721 CV     1
 ASSI { 1552}
   (  segid "B   " and resid 40   and name HD1%)
   (  segid "B   " and resid 111  and name HE% )
      3.200     1.300     1.300 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.15393E-02 ppm1      0.779 ppm2      6.721 CV     1
 ASSI { 1554}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 43   and name HB  ))
      2.300     0.700     0.700 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.42595E-02 ppm1      0.449 ppm2      1.563 CV     1
 ASSI { 1554}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 43   and name HB  ))
      2.300     0.700     0.700 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.42595E-02 ppm1      0.449 ppm2      1.563 CV     1
 ASSI { 1555}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 85   and name HB  ))
      2.600     0.900     0.900 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.27889E-02 ppm1      0.449 ppm2      1.954 CV     1
 ASSI { 1555}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 85   and name HB  ))
      2.600     0.900     0.900 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.27889E-02 ppm1      0.449 ppm2      1.954 CV     1
 ASSI { 1557}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "A   " and resid 102  and name HD1%)
      2.400     0.700     0.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.55213E-02 ppm1      0.449 ppm2      0.157 CV     1
 ASSI { 1557}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "B   " and resid 102  and name HD1%)
      2.400     0.700     0.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.55213E-02 ppm1      0.449 ppm2      0.157 CV     1
 ASSI { 1559}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "A   " and resid 85   and name HG1%)
      2.800     1.000     1.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.78618E-02 ppm1      0.449 ppm2      1.055 CV     1
 ASSI { 1559}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "B   " and resid 85   and name HG1%)
      2.800     1.000     1.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.78618E-02 ppm1      0.449 ppm2      1.055 CV     1
 ASSI { 1560}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 43   and name HG13))
      2.100     0.600     0.600 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.64803E-02 ppm1      0.449 ppm2      1.290 CV     1
 ASSI { 1560}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 43   and name HG13))
      2.100     0.600     0.600 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.64803E-02 ppm1      0.449 ppm2      1.290 CV     1
 ASSI { 1568}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 43   and name HA  ))
      3.800     1.800     1.800 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.13908E-02 ppm1      0.449 ppm2      4.377 CV     1
 ASSI { 1568}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 43   and name HA  ))
      3.800     1.800     1.800 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.13908E-02 ppm1      0.449 ppm2      4.377 CV     1
 ASSI { 1569}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 107  and name HB2 ))
      3.500     1.500     1.500 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.10213E-02 ppm1      0.741 ppm2      2.657 CV     1
 ASSI { 1569}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 107  and name HB2 ))
      3.500     1.500     1.500 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.10213E-02 ppm1      0.741 ppm2      2.657 CV     1
 ASSI { 1571}
   (  segid "A   " and resid 110  and name HD1%)
   (  segid "A   " and resid 102  and name HD2%)
      4.100     2.100     1.900 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.15839E-02 ppm1      0.741 ppm2     -0.078 CV     1
 ASSI { 1571}
   (  segid "B   " and resid 110  and name HD1%)
   (  segid "B   " and resid 102  and name HD2%)
      4.100     2.100     1.900 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.15839E-02 ppm1      0.741 ppm2     -0.078 CV     1
 ASSI { 1572}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 107  and name HB3 ))
      3.200     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.13360E-02 ppm1      0.754 ppm2      2.931 CV     1
 ASSI { 1572}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 107  and name HB3 ))
      3.200     1.300     1.300 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.13360E-02 ppm1      0.754 ppm2      2.931 CV     1
 ASSI { 1576}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 102  and name HN  ))
      4.100     2.100     1.900 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.94791E-03 ppm1      0.754 ppm2      8.714 CV     1
 ASSI { 1576}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 102  and name HN  ))
      4.100     2.100     1.900 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.94791E-03 ppm1      0.754 ppm2      8.714 CV     1
 ASSI { 1577}
   (  segid "A   " and resid 110  and name HD1%)
   (  segid "A   " and resid 107  and name HD% )
      3.200     1.300     1.300 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.13388E-02 ppm1      0.741 ppm2      7.581 CV     1
 ASSI { 1577}
   (  segid "B   " and resid 110  and name HD1%)
   (  segid "B   " and resid 107  and name HD% )
      3.200     1.300     1.300 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.13388E-02 ppm1      0.741 ppm2      7.581 CV     1
 ASSI { 1580}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 110  and name HB  ))
      2.300     0.600     0.600 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.49800E-02 ppm1      0.741 ppm2      1.681 CV     1
 ASSI { 1580}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 110  and name HB  ))
      2.300     0.600     0.600 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.49800E-02 ppm1      0.741 ppm2      1.681 CV     1
 ASSI { 1582}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 110  and name HG12))
      2.200     0.600     0.600 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.62158E-02 ppm1      0.754 ppm2      1.329 CV     1
 ASSI { 1582}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 110  and name HG12))
      2.200     0.600     0.600 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.62158E-02 ppm1      0.754 ppm2      1.329 CV     1
 ASSI { 1583}
   (  segid "A   " and resid 110  and name HD1%)
   (  segid "A   " and resid 102  and name HD1%)
      2.600     0.800     0.800 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.28791E-02 ppm1      0.741 ppm2      0.157 CV     1
 ASSI { 1583}
   (  segid "B   " and resid 110  and name HD1%)
   (  segid "B   " and resid 102  and name HD1%)
      2.600     0.800     0.800 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.28791E-02 ppm1      0.741 ppm2      0.157 CV     1
 ASSI { 1585}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 110  and name HA  ))
      2.800     1.000     1.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.47033E-02 ppm1      0.741 ppm2      4.572 CV     1
 ASSI { 1585}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 110  and name HA  ))
      2.800     1.000     1.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.47033E-02 ppm1      0.741 ppm2      4.572 CV     1
 ASSI { 1595}
   (  segid "A   " and resid 40   and name HG2%)
   (( segid "A   " and resid 40   and name HB  ))
      2.200     0.600     0.600 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.61695E-02 ppm1      0.652 ppm2      1.837 CV     1
 ASSI { 1595}
   (  segid "B   " and resid 40   and name HG2%)
   (( segid "B   " and resid 40   and name HB  ))
      2.200     0.600     0.600 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.61695E-02 ppm1      0.652 ppm2      1.837 CV     1
 ASSI { 1596}
   (  segid "A   " and resid 40   and name HG2%)
   (  segid "A   " and resid 85   and name HG1%)
      3.600     1.600     1.600 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.17659E-02 ppm1      0.652 ppm2      1.055 CV     1
 ASSI { 1596}
   (  segid "B   " and resid 40   and name HG2%)
   (  segid "B   " and resid 85   and name HG1%)
      3.600     1.600     1.600 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.17659E-02 ppm1      0.652 ppm2      1.055 CV     1
 ASSI { 1598}
   (  segid "A   " and resid 40   and name HG2%)
   (  segid "A   " and resid 33   and name HD2%)
      4.000     2.000     2.000 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.18912E-02 ppm1      0.652 ppm2      0.079 CV     1
 ASSI { 1598}
   (  segid "B   " and resid 40   and name HG2%)
   (  segid "B   " and resid 33   and name HD2%)
      4.000     2.000     2.000 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.18912E-02 ppm1      0.652 ppm2      0.079 CV     1
 ASSI { 1601}
   (  segid "A   " and resid 40   and name HG2%)
   (( segid "A   " and resid 85   and name HA  ))
      2.800     0.900     0.900 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.15820E-02 ppm1      0.652 ppm2      5.275 CV     1
 ASSI { 1601}
   (  segid "B   " and resid 40   and name HG2%)
   (( segid "B   " and resid 85   and name HA  ))
      2.800     0.900     0.900 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.15820E-02 ppm1      0.652 ppm2      5.275 CV     1
 ASSI { 1603}
   (  segid "A   " and resid 30   and name HB% )
   (( segid "A   " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.50702E-02 ppm1      1.606 ppm2      3.947 CV     1
 ASSI { 1603}
   (  segid "B   " and resid 30   and name HB% )
   (( segid "B   " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.50702E-02 ppm1      1.606 ppm2      3.947 CV     1
 ASSI { 1605}
   (  segid "A   " and resid 30   and name HB% )
   (( segid "A   " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.25532E-02 ppm1      1.606 ppm2      4.572 CV     1
 ASSI { 1605}
   (  segid "B   " and resid 30   and name HB% )
   (( segid "B   " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.25532E-02 ppm1      1.606 ppm2      4.572 CV     1
 ASSI { 1614}
   (  segid "A   " and resid 30   and name HB% )
   (  segid "A   " and resid 33   and name HD1%)
      2.400     0.700     0.700 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.17965E-01 ppm1      1.631 ppm2      0.547 CV     1
 ASSI { 1614}
   (  segid "B   " and resid 30   and name HB% )
   (  segid "B   " and resid 33   and name HD1%)
      2.400     0.700     0.700 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.17965E-01 ppm1      1.631 ppm2      0.547 CV     1
 ASSI { 1615}
   (  segid "A   " and resid 30   and name HB% )
   (  segid "A   " and resid 86   and name HG1%)
      2.000     0.500     0.500 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.14391E-01 ppm1      1.631 ppm2      0.743 CV     1
 ASSI { 1615}
   (  segid "B   " and resid 30   and name HB% )
   (  segid "B   " and resid 86   and name HG1%)
      2.000     0.500     0.500 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.14391E-01 ppm1      1.631 ppm2      0.743 CV     1
 ASSI { 1617}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 65   and name HA  ))
      4.700     2.800     1.300 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.70820E-03 ppm1      0.474 ppm2      3.791 CV     1
 ASSI { 1617}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 65   and name HA  ))
      4.700     2.800     1.300 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.70820E-03 ppm1      0.474 ppm2      3.791 CV     1
 ASSI { 1619}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 65   and name HG2 ))
      3.700     1.800     1.800 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.18420E-02 ppm1      0.474 ppm2      1.837 CV     1
 ASSI { 1619}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 65   and name HG2 ))
      3.700     1.800     1.800 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.18420E-02 ppm1      0.474 ppm2      1.837 CV     1
 ASSI { 1620}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 43   and name HG13))
      2.800     1.000     1.000 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.46142E-02 ppm1      0.474 ppm2      1.290 CV     1
 ASSI { 1620}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 43   and name HG13))
      2.800     1.000     1.000 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.46142E-02 ppm1      0.474 ppm2      1.290 CV     1
 ASSI { 1622}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.11605E-02 ppm1      0.474 ppm2      9.144 CV     1
 ASSI { 1622}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.11605E-02 ppm1      0.474 ppm2      9.144 CV     1
 ASSI { 1626}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 87   and name HA  ))
      3.800     1.800     1.800 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.74906E-03 ppm1      0.474 ppm2      4.924 CV     1
 ASSI { 1626}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 87   and name HA  ))
      3.800     1.800     1.800 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.74906E-03 ppm1      0.474 ppm2      4.924 CV     1
 ASSI { 1631}
   (  segid "A   " and resid 13   and name HB% )
   (  segid "A   " and resid 10   and name HG2%)
      3.100     1.200     1.200 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.25987E-02 ppm1      1.517 ppm2      0.508 CV     1
 ASSI { 1631}
   (  segid "B   " and resid 13   and name HB% )
   (  segid "B   " and resid 10   and name HG2%)
      3.100     1.200     1.200 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.25987E-02 ppm1      1.517 ppm2      0.508 CV     1
 ASSI { 1640}
   (  segid "A   " and resid 45   and name HG2%)
   (( segid "A   " and resid 45   and name HB  ))
      3.100     1.200     1.200 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.11113E-02 ppm1      0.678 ppm2      2.306 CV     1
 ASSI { 1640}
   (  segid "B   " and resid 45   and name HG2%)
   (( segid "B   " and resid 45   and name HB  ))
      3.100     1.200     1.200 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.11113E-02 ppm1      0.678 ppm2      2.306 CV     1
 ASSI { 1644}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 87   and name HB  ))
      2.100     0.600     0.600 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.49448E-02 ppm1      1.123 ppm2      1.837 CV     1
 ASSI { 1644}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 87   and name HB  ))
      2.100     0.600     0.600 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.49448E-02 ppm1      1.123 ppm2      1.837 CV     1
 ASSI { 1649}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 95   and name HA  ))
      2.300     0.700     0.700 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.50217E-02 ppm1      1.123 ppm2      3.712 CV     1
 ASSI { 1649}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 95   and name HA  ))
      2.300     0.700     0.700 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.50217E-02 ppm1      1.123 ppm2      3.712 CV     1
 ASSI { 1652}
   (  segid "A   " and resid 95   and name HB% )
   (  segid "A   " and resid 87   and name HG1%)
      3.300     1.300     1.300 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.65074E-02 ppm1      1.123 ppm2      0.821 CV     1
 ASSI { 1652}
   (  segid "B   " and resid 95   and name HB% )
   (  segid "B   " and resid 87   and name HG1%)
      3.300     1.300     1.300 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.65074E-02 ppm1      1.123 ppm2      0.821 CV     1
 ASSI { 1654}
   (  segid "A   " and resid 13   and name HB% )
   (( segid "A   " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.75136E-02 ppm1      1.517 ppm2      3.908 CV     1
 ASSI { 1654}
   (  segid "B   " and resid 13   and name HB% )
   (( segid "B   " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.75136E-02 ppm1      1.517 ppm2      3.908 CV     1
 ASSI { 1655}
   (  segid "A   " and resid 13   and name HB% )
   (( segid "A   " and resid 13   and name HA  ))
      2.000     0.500     0.500 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.25309E-01 ppm1      1.517 ppm2      4.142 CV     1
 ASSI { 1655}
   (  segid "B   " and resid 13   and name HB% )
   (( segid "B   " and resid 13   and name HA  ))
      2.000     0.500     0.500 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.25309E-01 ppm1      1.517 ppm2      4.142 CV     1
 ASSI { 1656}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 88   and name HA  ))
      3.000     1.100     1.100 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.16043E-02 ppm1      1.123 ppm2      5.471 CV     1
 ASSI { 1656}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 88   and name HA  ))
      3.000     1.100     1.100 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.16043E-02 ppm1      1.123 ppm2      5.471 CV     1
 ASSI { 1664}
   (  segid "A   " and resid 95   and name HB% )
   (  segid "A   " and resid 96   and name HB% )
      3.100     1.200     1.200 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.45817E-02 ppm1      1.148 ppm2      1.446 CV     1
 ASSI { 1664}
   (  segid "B   " and resid 95   and name HB% )
   (  segid "B   " and resid 96   and name HB% )
      3.100     1.200     1.200 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.45817E-02 ppm1      1.148 ppm2      1.446 CV     1
 ASSI { 1665}
   (  segid "A   " and resid 45   and name HG2%)
   (  segid "A   " and resid 95   and name HB% )
      2.700     0.900     0.900 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.23926E-02 ppm1      0.678 ppm2      1.134 CV     1
 ASSI { 1665}
   (  segid "B   " and resid 45   and name HG2%)
   (  segid "B   " and resid 95   and name HB% )
      2.700     0.900     0.900 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.23926E-02 ppm1      0.678 ppm2      1.134 CV     1
 ASSI { 1666}
   (  segid "A   " and resid 45   and name HG2%)
   (( segid "A   " and resid 95   and name HA  ))
      2.700     0.900     0.900 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.26339E-02 ppm1      0.678 ppm2      3.712 CV     1
 ASSI { 1666}
   (  segid "B   " and resid 45   and name HG2%)
   (( segid "B   " and resid 95   and name HA  ))
      2.700     0.900     0.900 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.26339E-02 ppm1      0.678 ppm2      3.712 CV     1
 ASSI { 1671}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 20   and name HA  ))
      1.900     0.500     0.500 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.26748E-01 ppm1      1.466 ppm2      4.181 CV     1
 ASSI { 1671}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 20   and name HA  ))
      1.900     0.500     0.500 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.26748E-01 ppm1      1.466 ppm2      4.181 CV     1
 ASSI { 1682}
   (  segid "A   " and resid 98   and name HB% )
   (( segid "A   " and resid 98   and name HA  ))
      2.300     0.700     0.700 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.51389E-02 ppm1      1.326 ppm2      4.455 CV     1
 ASSI { 1682}
   (  segid "B   " and resid 98   and name HB% )
   (( segid "B   " and resid 98   and name HA  ))
      2.300     0.700     0.700 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.51389E-02 ppm1      1.326 ppm2      4.455 CV     1
 ASSI { 1684}
   (  segid "A   " and resid 75   and name HB% )
   (( segid "A   " and resid 75   and name HA  ))
      2.300     0.600     0.600 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      1.644 ppm2      4.533 CV     1
 ASSI { 1684}
   (  segid "B   " and resid 75   and name HB% )
   (( segid "B   " and resid 75   and name HA  ))
      2.300     0.600     0.600 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      1.644 ppm2      4.533 CV     1
 ASSI { 1687}
   (  segid "A   " and resid 75   and name HB% )
   (  segid "B   " and resid 7    and name HD% )
      3.900     1.900     1.900 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.20314E-02 ppm1      1.644 ppm2      7.464 CV     1
 ASSI { 1687}
   (  segid "B   " and resid 75   and name HB% )
   (  segid "A   " and resid 7    and name HD% )
      3.900     1.900     1.900 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.20314E-02 ppm1      1.644 ppm2      7.464 CV     1
 ASSI { 1690}
   (  segid "A   " and resid 98   and name HB% )
   (( segid "A   " and resid 95   and name HA  ))
      2.600     0.900     0.900 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.34231E-02 ppm1      1.313 ppm2      3.712 CV     1
 ASSI { 1690}
   (  segid "B   " and resid 98   and name HB% )
   (( segid "B   " and resid 95   and name HA  ))
      2.600     0.900     0.900 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.34231E-02 ppm1      1.313 ppm2      3.712 CV     1
 ASSI { 1692}
   (  segid "A   " and resid 98   and name HB% )
   (  segid "A   " and resid 70   and name HD2%)
      2.300     0.600     0.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.69788E-02 ppm1      1.326 ppm2      0.665 CV     1
 ASSI { 1692}
   (  segid "B   " and resid 98   and name HB% )
   (  segid "B   " and resid 70   and name HD2%)
      2.300     0.600     0.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.69788E-02 ppm1      1.326 ppm2      0.665 CV     1
 ASSI { 1693}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 110  and name HB  ))
      2.300     0.600     0.600 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.63894E-02 ppm1      0.779 ppm2      1.642 CV     1
 ASSI { 1693}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 110  and name HB  ))
      2.300     0.600     0.600 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.63894E-02 ppm1      0.779 ppm2      1.642 CV     1
 ASSI { 1700}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 62   and name HA  ))
      3.400     1.400     1.400 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.18197E-02 ppm1      0.665 ppm2      4.885 CV     1
 ASSI { 1700}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 62   and name HA  ))
      3.400     1.400     1.400 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.18197E-02 ppm1      0.665 ppm2      4.885 CV     1
 ASSI { 1702}
   (  segid "A   " and resid 59   and name HG2%)
   (  segid "A   " and resid 62   and name HE% )
      4.400     2.400     1.600 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.98040E-03 ppm1      0.665 ppm2      6.526 CV     1
 ASSI { 1702}
   (  segid "B   " and resid 59   and name HG2%)
   (  segid "B   " and resid 62   and name HE% )
      4.400     2.400     1.600 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.98040E-03 ppm1      0.665 ppm2      6.526 CV     1
 ASSI { 1703}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 86   and name HN  ))
      3.600     1.600     1.600 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.17937E-02 ppm1      0.779 ppm2      8.753 CV     1
 ASSI { 1703}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 86   and name HN  ))
      3.600     1.600     1.600 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.17937E-02 ppm1      0.779 ppm2      8.753 CV     1
 ASSI { 1704}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 85   and name HB  ))
      2.300     0.700     0.700 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.61313E-02 ppm1      0.779 ppm2      1.954 CV     1
 ASSI { 1704}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 85   and name HB  ))
      2.300     0.700     0.700 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.61313E-02 ppm1      0.779 ppm2      1.954 CV     1
 ASSI { 1711}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      0.665 ppm2      4.689 CV     1
 ASSI { 1711}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      0.665 ppm2      4.689 CV     1
 ASSI { 1712}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 84   and name HA  ))
      3.800     1.800     1.800 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.12432E-02 ppm1      0.767 ppm2      5.080 CV     1
 ASSI { 1712}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 84   and name HA  ))
      3.800     1.800     1.800 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.12432E-02 ppm1      0.767 ppm2      5.080 CV     1
 ASSI { 1713}
   (  segid "A   " and resid 75   and name HB% )
   (( segid "B   " and resid 8    and name HB2 ))
      2.200     0.600     0.600 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.70449E-02 ppm1      1.644 ppm2      2.892 CV     1
 OR { 1713}
   (  segid "A   " and resid 75   and name HB% )
   (( segid "B   " and resid 8    and name HB3 ))
 ASSI { 1713}
   (  segid "B   " and resid 75   and name HB% )
   (( segid "A   " and resid 8    and name HB2 ))
      2.200     0.600     0.600 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.70449E-02 ppm1      1.644 ppm2      2.892 CV     1
 OR { 1713}
   (  segid "B   " and resid 75   and name HB% )
   (( segid "A   " and resid 8    and name HB3 ))
 ASSI { 1714}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 42   and name HB3 ))
      2.600     0.900     0.900 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.22830E-02 ppm1      0.678 ppm2      1.681 CV     1
 ASSI { 1714}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 42   and name HB3 ))
      2.600     0.900     0.900 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.22830E-02 ppm1      0.678 ppm2      1.681 CV     1
 ASSI { 1716}
   (  segid "A   " and resid 85   and name HG2%)
   (  segid "A   " and resid 43   and name HD1%)
      2.500     0.800     0.800 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.52827E-02 ppm1      0.779 ppm2      0.469 CV     1
 ASSI { 1716}
   (  segid "B   " and resid 85   and name HG2%)
   (  segid "B   " and resid 43   and name HD1%)
      2.500     0.800     0.800 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.52827E-02 ppm1      0.779 ppm2      0.469 CV     1
 ASSI { 1718}
   (  segid "A   " and resid 85   and name HG2%)
   (  segid "A   " and resid 85   and name HG1%)
      2.000     0.500     0.500 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.13620E-01 ppm1      0.779 ppm2      1.055 CV     1
 ASSI { 1718}
   (  segid "B   " and resid 85   and name HG2%)
   (  segid "B   " and resid 85   and name HG1%)
      2.000     0.500     0.500 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.13620E-01 ppm1      0.779 ppm2      1.055 CV     1
 ASSI { 1719}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 110  and name HG12))
      2.300     0.600     0.600 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.44433E-02 ppm1      0.779 ppm2      1.329 CV     1
 ASSI { 1719}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 110  and name HG12))
      2.300     0.600     0.600 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.44433E-02 ppm1      0.779 ppm2      1.329 CV     1
 ASSI { 1720}
   (  segid "A   " and resid 59   and name HG2%)
   (  segid "A   " and resid 59   and name HG1%)
      2.100     0.500     0.500 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.12283E-01 ppm1      0.678 ppm2      1.016 CV     1
 ASSI { 1720}
   (  segid "B   " and resid 59   and name HG2%)
   (  segid "B   " and resid 59   and name HG1%)
      2.100     0.500     0.500 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.12283E-01 ppm1      0.678 ppm2      1.016 CV     1
 ASSI { 1723}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 62   and name HB2 ))
      2.400     0.700     0.700 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.38195E-02 ppm1      0.665 ppm2      2.736 CV     1
 OR { 1723}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 62   and name HB3 ))
 ASSI { 1723}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 62   and name HB2 ))
      2.400     0.700     0.700 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.38195E-02 ppm1      0.665 ppm2      2.736 CV     1
 OR { 1723}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 62   and name HB3 ))
 ASSI { 1724}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 59   and name HB  ))
      2.200     0.600     0.600 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.58963E-02 ppm1      0.678 ppm2      2.462 CV     1
 ASSI { 1724}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 59   and name HB  ))
      2.200     0.600     0.600 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.58963E-02 ppm1      0.678 ppm2      2.462 CV     1
 ASSI { 1727}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 87   and name HA  ))
      3.100     1.200     1.200 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.21428E-02 ppm1      0.830 ppm2      4.885 CV     1
 ASSI { 1727}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 87   and name HA  ))
      3.100     1.200     1.200 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.21428E-02 ppm1      0.830 ppm2      4.885 CV     1
 ASSI { 1731}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 112  and name HA  ))
      2.800     1.000     1.000 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.29032E-02 ppm1      0.817 ppm2      5.393 CV     1
 ASSI { 1731}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 112  and name HA  ))
      2.800     1.000     1.000 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.29032E-02 ppm1      0.817 ppm2      5.393 CV     1
 ASSI { 1732}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 87   and name HN  ))
      2.200     0.600     0.600 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.60116E-02 ppm1      0.817 ppm2      9.144 CV     1
 ASSI { 1732}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 87   and name HN  ))
      2.200     0.600     0.600 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.60116E-02 ppm1      0.817 ppm2      9.144 CV     1
 ASSI { 1737}
   (  segid "A   " and resid 53   and name HB% )
   (( segid "A   " and resid 54   and name HG2 ))
      2.800     1.000     1.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.43423E-02 ppm1      1.479 ppm2      2.540 CV     1
 ASSI { 1737}
   (  segid "B   " and resid 53   and name HB% )
   (( segid "B   " and resid 54   and name HG2 ))
      2.800     1.000     1.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.43423E-02 ppm1      1.479 ppm2      2.540 CV     1
 ASSI { 1744}
   (  segid "A   " and resid 53   and name HB% )
   (( segid "A   " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.15644E-02 ppm1      1.479 ppm2      4.689 CV     1
 ASSI { 1744}
   (  segid "B   " and resid 53   and name HB% )
   (( segid "B   " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.15644E-02 ppm1      1.479 ppm2      4.689 CV     1
 ASSI { 1745}
   (  segid "A   " and resid 53   and name HB% )
   (( segid "A   " and resid 54   and name HG3 ))
      2.700     0.900     0.900 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.25597E-02 ppm1      1.479 ppm2      2.814 CV     1
 ASSI { 1745}
   (  segid "B   " and resid 53   and name HB% )
   (( segid "B   " and resid 54   and name HG3 ))
      2.700     0.900     0.900 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.25597E-02 ppm1      1.479 ppm2      2.814 CV     1
 ASSI { 1751}
   (  segid "A   " and resid 45   and name HG1%)
   (( segid "A   " and resid 45   and name HA  ))
      2.600     0.900     0.900 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.27510E-02 ppm1      0.856 ppm2      5.627 CV     1
 ASSI { 1751}
   (  segid "B   " and resid 45   and name HG1%)
   (( segid "B   " and resid 45   and name HA  ))
      2.600     0.900     0.900 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.27510E-02 ppm1      0.856 ppm2      5.627 CV     1
 ASSI { 1752}
   (  segid "A   " and resid 45   and name HG1%)
   (( segid "A   " and resid 45   and name HN  ))
      3.600     1.600     1.600 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.17519E-02 ppm1      0.843 ppm2      8.753 CV     1
 ASSI { 1752}
   (  segid "B   " and resid 45   and name HG1%)
   (( segid "B   " and resid 45   and name HN  ))
      3.600     1.600     1.600 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.17519E-02 ppm1      0.843 ppm2      8.753 CV     1
 ASSI { 1753}
   (  segid "A   " and resid 10   and name HG2%)
   (( segid "A   " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.90762E-02 ppm1      0.487 ppm2      3.908 CV     1
 ASSI { 1753}
   (  segid "B   " and resid 10   and name HG2%)
   (( segid "B   " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.90762E-02 ppm1      0.487 ppm2      3.908 CV     1
 ASSI { 1754}
   (  segid "A   " and resid 10   and name HG2%)
   (( segid "A   " and resid 10   and name HB  ))
      2.200     0.600     0.600 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.11735E-01 ppm1      0.487 ppm2      4.299 CV     1
 ASSI { 1754}
   (  segid "B   " and resid 10   and name HG2%)
   (( segid "B   " and resid 10   and name HB  ))
      2.200     0.600     0.600 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.11735E-01 ppm1      0.487 ppm2      4.299 CV     1
 ASSI { 1755}
   (  segid "A   " and resid 10   and name HG2%)
   (( segid "A   " and resid 14   and name HG3 ))
      2.900     1.100     1.100 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.24334E-02 ppm1      0.487 ppm2      2.853 CV     1
 ASSI { 1755}
   (  segid "B   " and resid 10   and name HG2%)
   (( segid "B   " and resid 14   and name HG3 ))
      2.900     1.100     1.100 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.24334E-02 ppm1      0.487 ppm2      2.853 CV     1
 ASSI { 1756}
   (  segid "A   " and resid 10   and name HG2%)
   (  segid "B   " and resid 105  and name HD% )
      2.900     1.100     1.100 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.19265E-02 ppm1      0.487 ppm2      7.464 CV     1
 ASSI { 1756}
   (  segid "B   " and resid 10   and name HG2%)
   (  segid "A   " and resid 105  and name HD% )
      2.900     1.100     1.100 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.19265E-02 ppm1      0.487 ppm2      7.464 CV     1
 ASSI { 1757}
   (  segid "A   " and resid 10   and name HG2%)
   (  segid "B   " and resid 105  and name HE% )
      2.700     0.900     0.900 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.30099E-02 ppm1      0.487 ppm2      6.956 CV     1
 ASSI { 1757}
   (  segid "B   " and resid 10   and name HG2%)
   (  segid "A   " and resid 105  and name HE% )
      2.700     0.900     0.900 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.30099E-02 ppm1      0.487 ppm2      6.956 CV     1
 ASSI { 1758}
   (  segid "A   " and resid 10   and name HG2%)
   (( segid "A   " and resid 14   and name HG2 ))
      3.900     1.900     1.900 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.11754E-02 ppm1      0.487 ppm2      2.306 CV     1
 ASSI { 1758}
   (  segid "B   " and resid 10   and name HG2%)
   (( segid "B   " and resid 14   and name HG2 ))
      3.900     1.900     1.900 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.11754E-02 ppm1      0.487 ppm2      2.306 CV     1
 ASSI { 1759}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 23   and name HA  ))
      2.300     0.600     0.600 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.10760E-01 ppm1      0.817 ppm2      4.260 CV     1
 ASSI { 1759}
   (  segid "B   " and resid 23   and name HG2%)
   (( segid "B   " and resid 23   and name HA  ))
      2.300     0.600     0.600 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.10760E-01 ppm1      0.817 ppm2      4.260 CV     1
 ASSI { 1764}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 111  and name HA  ))
      4.100     2.100     1.900 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.13230E-02 ppm1      0.805 ppm2      5.783 CV     1
 ASSI { 1764}
   (  segid "B   " and resid 23   and name HG2%)
   (( segid "B   " and resid 111  and name HA  ))
      4.100     2.100     1.900 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.13230E-02 ppm1      0.805 ppm2      5.783 CV     1
 ASSI { 1765}
   (  segid "A   " and resid 23   and name HG2%)
   (  segid "A   " and resid 111  and name HE% )
      3.200     1.300     1.300 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.24724E-02 ppm1      0.805 ppm2      6.721 CV     1
 ASSI { 1765}
   (  segid "B   " and resid 23   and name HG2%)
   (  segid "B   " and resid 111  and name HE% )
      3.200     1.300     1.300 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.24724E-02 ppm1      0.805 ppm2      6.721 CV     1
 ASSI { 1766}
   (  segid "A   " and resid 23   and name HG2%)
   (  segid "A   " and resid 23   and name HG1%)
      2.000     0.500     0.500 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.25420E-01 ppm1      0.817 ppm2      1.095 CV     1
 ASSI { 1766}
   (  segid "B   " and resid 23   and name HG2%)
   (  segid "B   " and resid 23   and name HG1%)
      2.000     0.500     0.500 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.25420E-01 ppm1      0.817 ppm2      1.095 CV     1
 ASSI { 1767}
   (  segid "A   " and resid 10   and name HG2%)
   (( segid "A   " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.13508E-02 ppm1      0.487 ppm2      4.963 CV     1
 ASSI { 1767}
   (  segid "B   " and resid 10   and name HG2%)
   (( segid "B   " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.13508E-02 ppm1      0.487 ppm2      4.963 CV     1
 ASSI { 1768}
   (  segid "A   " and resid 23   and name HG2%)
   (  segid "A   " and resid 111  and name HD% )
      3.300     1.300     1.300 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.29219E-02 ppm1      0.805 ppm2      6.995 CV     1
 ASSI { 1768}
   (  segid "B   " and resid 23   and name HG2%)
   (  segid "B   " and resid 111  and name HD% )
      3.300     1.300     1.300 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.29219E-02 ppm1      0.805 ppm2      6.995 CV     1
 ASSI { 1769}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 111  and name HN  ))
      3.500     1.500     1.500 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.23285E-02 ppm1      0.779 ppm2      9.105 CV     1
 ASSI { 1769}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 111  and name HN  ))
      3.500     1.500     1.500 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.23285E-02 ppm1      0.779 ppm2      9.105 CV     1
 ASSI { 1771}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 111  and name HB2 ))
      4.200     2.200     1.800 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.10408E-02 ppm1      0.754 ppm2      2.892 CV     1
 ASSI { 1771}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 111  and name HB2 ))
      4.100     2.100     1.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.10408E-02 ppm1      0.754 ppm2      2.892 CV     1
 ASSI { 1772}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 87   and name HB  ))
      2.200     0.600     0.600 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.61061E-02 ppm1      0.830 ppm2      1.876 CV     1
 ASSI { 1772}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 87   and name HB  ))
      2.200     0.600     0.600 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.61061E-02 ppm1      0.830 ppm2      1.876 CV     1
 ASSI { 1776}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 86   and name HA  ))
      3.500     1.500     1.500 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.23062E-02 ppm1      0.767 ppm2      4.846 CV     1
 ASSI { 1776}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 86   and name HA  ))
      3.500     1.500     1.500 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.23062E-02 ppm1      0.767 ppm2      4.846 CV     1
 ASSI { 1777}
   (  segid "A   " and resid 87   and name HG1%)
   (  segid "A   " and resid 42   and name HD1%)
      3.500     1.500     1.500 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.36998E-02 ppm1      0.843 ppm2      0.274 CV     1
 ASSI { 1777}
   (  segid "B   " and resid 87   and name HG1%)
   (  segid "B   " and resid 42   and name HD1%)
      3.500     1.500     1.500 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.36998E-02 ppm1      0.843 ppm2      0.274 CV     1
 ASSI { 1781}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 86   and name HA  ))
      3.000     1.100     1.100 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.27380E-02 ppm1      0.830 ppm2      4.846 CV     1
 ASSI { 1781}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 86   and name HA  ))
      3.000     1.100     1.100 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.27380E-02 ppm1      0.830 ppm2      4.846 CV     1
 ASSI { 1782}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.11772E-01 ppm1      0.754 ppm2      1.720 CV     1
 ASSI { 1782}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.11772E-01 ppm1      0.754 ppm2      1.720 CV     1
 ASSI { 1784}
   (  segid "A   " and resid 23   and name HG1%)
   (  segid "A   " and resid 111  and name HD% )
      2.400     0.700     0.700 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.52186E-02 ppm1      1.072 ppm2      6.995 CV     1
 ASSI { 1784}
   (  segid "B   " and resid 23   and name HG1%)
   (  segid "B   " and resid 111  and name HD% )
      2.400     0.700     0.700 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.52186E-02 ppm1      1.072 ppm2      6.995 CV     1
 ASSI { 1786}
   (  segid "A   " and resid 23   and name HG1%)
   (( segid "A   " and resid 23   and name HB  ))
      2.300     0.700     0.700 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.71367E-02 ppm1      1.072 ppm2      2.032 CV     1
 ASSI { 1786}
   (  segid "B   " and resid 23   and name HG1%)
   (( segid "B   " and resid 23   and name HB  ))
      2.300     0.700     0.700 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.71367E-02 ppm1      1.072 ppm2      2.032 CV     1
 ASSI { 1787}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "A   " and resid 100  and name HB3 ))
      3.800     1.800     1.800 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.18940E-02 ppm1      0.716 ppm2      2.189 CV     1
 ASSI { 1787}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "B   " and resid 100  and name HB3 ))
      3.800     1.800     1.800 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.18940E-02 ppm1      0.716 ppm2      2.189 CV     1
 ASSI { 1788}
   (  segid "A   " and resid 15   and name HG1%)
   (  segid "A   " and resid 15   and name HG2%)
      2.200     0.600     0.600 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.11698E-01 ppm1      0.754 ppm2      0.430 CV     1
 ASSI { 1788}
   (  segid "B   " and resid 15   and name HG1%)
   (  segid "B   " and resid 15   and name HG2%)
      2.200     0.600     0.600 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.11698E-01 ppm1      0.754 ppm2      0.430 CV     1
 ASSI { 1789}
   (  segid "A   " and resid 23   and name HG1%)
   (  segid "A   " and resid 25   and name HD1%)
      3.500     1.500     1.500 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.28271E-02 ppm1      1.072 ppm2      0.587 CV     1
 ASSI { 1789}
   (  segid "B   " and resid 23   and name HG1%)
   (  segid "B   " and resid 25   and name HD1%)
      3.500     1.500     1.500 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.28271E-02 ppm1      1.072 ppm2      0.587 CV     1
 ASSI { 1795}
   (  segid "A   " and resid 23   and name HG1%)
   (( segid "A   " and resid 111  and name HA  ))
      3.700     1.800     1.800 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.13880E-02 ppm1      1.072 ppm2      5.783 CV     1
 ASSI { 1795}
   (  segid "B   " and resid 23   and name HG1%)
   (( segid "B   " and resid 111  and name HA  ))
      3.700     1.800     1.800 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.13880E-02 ppm1      1.072 ppm2      5.783 CV     1
 ASSI { 1797}
   (  segid "A   " and resid 97   and name HD2%)
   (  segid "A   " and resid 97   and name HD1%)
      2.100     0.600     0.600 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.14066E-01 ppm1      0.716 ppm2      1.016 CV     1
 ASSI { 1797}
   (  segid "B   " and resid 97   and name HD2%)
   (  segid "B   " and resid 97   and name HD1%)
      2.100     0.600     0.600 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.14066E-01 ppm1      0.716 ppm2      1.016 CV     1
 ASSI { 1798}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "A   " and resid 97   and name HA  ))
      2.300     0.600     0.600 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.80086E-02 ppm1      0.716 ppm2      3.908 CV     1
 ASSI { 1798}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "B   " and resid 97   and name HA  ))
      2.200     0.600     0.600 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.80086E-02 ppm1      0.716 ppm2      3.908 CV     1
 ASSI { 1799}
   (  segid "A   " and resid 23   and name HG1%)
   (( segid "A   " and resid 23   and name HA  ))
      2.400     0.700     0.700 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.72862E-02 ppm1      1.072 ppm2      4.260 CV     1
 ASSI { 1799}
   (  segid "B   " and resid 23   and name HG1%)
   (( segid "B   " and resid 23   and name HA  ))
      2.400     0.700     0.700 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.72862E-02 ppm1      1.072 ppm2      4.260 CV     1
 ASSI { 1802}
   (  segid "A   " and resid 23   and name HG1%)
   (  segid "A   " and resid 111  and name HE% )
      2.800     1.000     1.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.50006E-02 ppm1      1.072 ppm2      6.721 CV     1
 ASSI { 1802}
   (  segid "B   " and resid 23   and name HG1%)
   (  segid "B   " and resid 111  and name HE% )
      2.800     1.000     1.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.50006E-02 ppm1      1.072 ppm2      6.721 CV     1
 ASSI { 1812}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 63   and name HG2 ))
      2.600     0.800     0.800 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.61554E-02 ppm1      0.817 ppm2      1.173 CV     1
 ASSI { 1812}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 63   and name HG2 ))
      2.600     0.800     0.800 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.61554E-02 ppm1      0.817 ppm2      1.173 CV     1
 ASSI { 1813}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 109  and name HB  ))
      2.300     0.700     0.700 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.69512E-02 ppm1      1.021 ppm2      3.712 CV     1
 ASSI { 1813}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 109  and name HB  ))
      2.300     0.700     0.700 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.69512E-02 ppm1      1.021 ppm2      3.712 CV     1
 ASSI { 1814}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 109  and name HA  ))
      2.200     0.600     0.600 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.10454E-01 ppm1      1.021 ppm2      4.299 CV     1
 ASSI { 1814}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 109  and name HA  ))
      2.200     0.600     0.600 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.10454E-01 ppm1      1.021 ppm2      4.299 CV     1
 ASSI { 1816}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 85   and name HN  ))
      4.000     2.000     2.000 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.14391E-02 ppm1      1.021 ppm2      7.776 CV     1
 ASSI { 1816}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 85   and name HN  ))
      4.000     2.000     2.000 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.14391E-02 ppm1      1.021 ppm2      7.776 CV     1
 ASSI { 1817}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 63   and name HE2 ))
      3.500     1.500     1.500 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.19311E-02 ppm1      0.805 ppm2      3.009 CV     1
 OR { 1817}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 63   and name HE3 ))
 ASSI { 1817}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 63   and name HE2 ))
      3.500     1.500     1.500 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.19311E-02 ppm1      0.805 ppm2      3.009 CV     1
 OR { 1817}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 63   and name HE3 ))
 ASSI { 1822}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 84   and name HB2 ))
      3.900     1.900     1.900 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.21475E-02 ppm1      1.021 ppm2      1.876 CV     1
 ASSI { 1822}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 84   and name HB2 ))
      3.900     1.900     1.900 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.21475E-02 ppm1      1.021 ppm2      1.876 CV     1
 ASSI { 1823}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 41   and name HA  ))
      2.100     0.600     0.600 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.65017E-02 ppm1      0.805 ppm2      4.220 CV     1
 ASSI { 1823}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 41   and name HA  ))
      2.100     0.600     0.600 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.65017E-02 ppm1      0.805 ppm2      4.220 CV     1
 ASSI { 1824}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 107  and name HD% )
      3.600     1.600     1.600 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.14790E-02 ppm1     -0.111 ppm2      7.542 CV     1
 ASSI { 1824}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 107  and name HD% )
      3.600     1.600     1.600 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.14790E-02 ppm1     -0.111 ppm2      7.542 CV     1
 ASSI { 1825}
   (  segid "A   " and resid 101  and name HG2%)
   (  segid "A   " and resid 102  and name HD2%)
      3.400     1.500     1.500 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.20295E-02 ppm1      1.161 ppm2     -0.078 CV     1
 ASSI { 1825}
   (  segid "B   " and resid 101  and name HG2%)
   (  segid "B   " and resid 102  and name HD2%)
      3.400     1.500     1.500 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.20295E-02 ppm1      1.161 ppm2     -0.078 CV     1
 ASSI { 1826}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "A   " and resid 102  and name HN  ))
      3.300     1.400     1.400 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.19942E-02 ppm1      1.161 ppm2      8.753 CV     1
 ASSI { 1826}
   (  segid "B   " and resid 101  and name HG2%)
   (( segid "B   " and resid 102  and name HN  ))
      3.300     1.400     1.400 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.19942E-02 ppm1      1.161 ppm2      8.753 CV     1
 ASSI { 1829}
   (  segid "A   " and resid 101  and name HG2%)
   (  segid "A   " and resid 105  and name HE% )
      2.600     0.800     0.800 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.31325E-02 ppm1      1.161 ppm2      6.956 CV     1
 ASSI { 1829}
   (  segid "B   " and resid 101  and name HG2%)
   (  segid "B   " and resid 105  and name HE% )
      2.600     0.800     0.800 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.31325E-02 ppm1      1.161 ppm2      6.956 CV     1
 ASSI { 1830}
   (  segid "A   " and resid 101  and name HG2%)
   (  segid "A   " and resid 70   and name HD2%)
      3.200     1.300     1.300 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.51519E-02 ppm1      1.161 ppm2      0.626 CV     1
 ASSI { 1834}
   (  segid "A   " and resid 101  and name HG2%)
   (  segid "A   " and resid 105  and name HD% )
      3.400     1.400     1.400 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.17686E-02 ppm1      1.161 ppm2      7.464 CV     1
 ASSI { 1834}
   (  segid "B   " and resid 101  and name HG2%)
   (  segid "B   " and resid 105  and name HD% )
      3.400     1.400     1.400 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.17686E-02 ppm1      1.161 ppm2      7.464 CV     1
 ASSI { 1835}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "A   " and resid 101  and name HB  ))
      2.200     0.600     0.600 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.75266E-02 ppm1      1.161 ppm2      4.220 CV     1
 ASSI { 1835}
   (  segid "B   " and resid 101  and name HG2%)
   (( segid "B   " and resid 101  and name HB  ))
      2.200     0.600     0.600 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.75266E-02 ppm1      1.161 ppm2      4.220 CV     1
 ASSI { 1836}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 84   and name HA  ))
      3.900     1.900     1.900 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.23257E-02 ppm1      1.008 ppm2      5.119 CV     1
 ASSI { 1836}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 84   and name HA  ))
      3.900     1.900     1.900 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.23257E-02 ppm1      1.008 ppm2      5.119 CV     1
 ASSI { 1839}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "A   " and resid 102  and name HA  ))
      2.400     0.700     0.700 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.37897E-02 ppm1     -0.098 ppm2      3.791 CV     1
 ASSI { 1839}
   (  segid "B   " and resid 102  and name HD2%)
   (( segid "B   " and resid 102  and name HA  ))
      2.400     0.700     0.700 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.37897E-02 ppm1     -0.098 ppm2      3.791 CV     1
 ASSI { 1840}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "A   " and resid 101  and name HA  ))
      2.400     0.700     0.700 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.62223E-02 ppm1      1.161 ppm2      4.103 CV     1
 ASSI { 1840}
   (  segid "B   " and resid 101  and name HG2%)
   (( segid "B   " and resid 101  and name HA  ))
      2.400     0.700     0.700 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.62223E-02 ppm1      1.161 ppm2      4.103 CV     1
 ASSI { 1841}
   (  segid "A   " and resid 59   and name HG1%)
   (  segid "A   " and resid 31   and name HE% )
      2.300     0.600     0.600 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.66409E-02 ppm1      0.996 ppm2      6.838 CV     1
 ASSI { 1841}
   (  segid "B   " and resid 59   and name HG1%)
   (  segid "B   " and resid 31   and name HE% )
      2.300     0.600     0.600 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.66409E-02 ppm1      0.996 ppm2      6.838 CV     1
 ASSI { 1844}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.63810E-02 ppm1      0.996 ppm2      4.689 CV     1
 ASSI { 1844}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.63810E-02 ppm1      0.996 ppm2      4.689 CV     1
 ASSI { 1845}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 59   and name HB  ))
      2.200     0.600     0.600 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.63263E-02 ppm1      0.996 ppm2      2.462 CV     1
 ASSI { 1845}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 59   and name HB  ))
      2.200     0.600     0.600 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.63263E-02 ppm1      0.996 ppm2      2.462 CV     1
 ASSI { 1846}
   (  segid "A   " and resid 59   and name HG1%)
   (  segid "A   " and resid 31   and name HD% )
      2.300     0.600     0.600 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.63653E-02 ppm1      0.996 ppm2      7.073 CV     1
 ASSI { 1846}
   (  segid "B   " and resid 59   and name HG1%)
   (  segid "B   " and resid 31   and name HD% )
      2.300     0.600     0.600 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.63653E-02 ppm1      0.996 ppm2      7.073 CV     1
 ASSI { 1854}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "A   " and resid 102  and name HB3 ))
      2.700     0.900     0.900 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.14688E-02 ppm1     -0.111 ppm2      1.798 CV     1
 ASSI { 1854}
   (  segid "B   " and resid 102  and name HD2%)
   (( segid "B   " and resid 102  and name HB3 ))
      2.700     0.900     0.900 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.14688E-02 ppm1     -0.111 ppm2      1.798 CV     1
 ASSI { 1858}
   (  segid "A   " and resid 73   and name HD2%)
   (( segid "A   " and resid 73   and name HA  ))
      2.000     0.500     0.500 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.10677E-01 ppm1      0.805 ppm2      4.064 CV     1
 ASSI { 1858}
   (  segid "B   " and resid 73   and name HD2%)
   (( segid "B   " and resid 73   and name HA  ))
      2.000     0.500     0.500 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.10677E-01 ppm1      0.805 ppm2      4.064 CV     1
 ASSI { 1867}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 63   and name HE2 ))
      2.200     0.600     0.600 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.46077E-02 ppm1      0.856 ppm2      3.009 CV     1
 OR { 1867}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 63   and name HE3 ))
 ASSI { 1867}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 63   and name HE2 ))
      2.200     0.600     0.600 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.46077E-02 ppm1      0.856 ppm2      3.009 CV     1
 OR { 1867}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 63   and name HE3 ))
 ASSI { 1876}
   (  segid "A   " and resid 125  and name HD2%)
   (  segid "A   " and resid 31   and name HE% )
      3.000     1.100     1.100 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.23601E-02 ppm1      0.105 ppm2      6.878 CV     1
 ASSI { 1876}
   (  segid "B   " and resid 125  and name HD2%)
   (  segid "B   " and resid 31   and name HE% )
      3.000     1.100     1.100 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.23601E-02 ppm1      0.105 ppm2      6.878 CV     1
 ASSI { 1877}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "A   " and resid 101  and name HB  ))
      3.600     1.600     1.600 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      0.143 ppm2      4.220 CV     1
 ASSI { 1877}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "B   " and resid 101  and name HB  ))
      3.500     1.500     1.500 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      0.143 ppm2      4.220 CV     1
 ASSI { 1878}
   (  segid "A   " and resid 125  and name HD2%)
   (( segid "A   " and resid 126  and name HD3 ))
      3.300     1.300     1.300 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.23526E-02 ppm1      0.092 ppm2      3.283 CV     1
 ASSI { 1878}
   (  segid "B   " and resid 125  and name HD2%)
   (( segid "B   " and resid 126  and name HD3 ))
      3.300     1.300     1.300 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.23526E-02 ppm1      0.092 ppm2      3.283 CV     1
 ASSI { 1879}
   (  segid "A   " and resid 25   and name HD2%)
   (  segid "A   " and resid 33   and name HD2%)
      3.700     1.700     1.700 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.14651E-02 ppm1      0.932 ppm2      0.079 CV     1
 ASSI { 1879}
   (  segid "B   " and resid 25   and name HD2%)
   (  segid "B   " and resid 33   and name HD2%)
      3.700     1.700     1.700 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.14651E-02 ppm1      0.932 ppm2      0.079 CV     1
 ASSI { 1881}
   (  segid "A   " and resid 25   and name HD2%)
   (  segid "A   " and resid 25   and name HD1%)
      2.100     0.500     0.500 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.13304E-01 ppm1      0.932 ppm2      0.587 CV     1
 ASSI { 1881}
   (  segid "B   " and resid 25   and name HD2%)
   (  segid "B   " and resid 25   and name HD1%)
      2.100     0.500     0.500 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.13304E-01 ppm1      0.932 ppm2      0.587 CV     1
 ASSI { 1885}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "A   " and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      0.143 ppm2      7.737 CV     1
 ASSI { 1885}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "B   " and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      0.143 ppm2      7.737 CV     1
 ASSI { 1890}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "A   " and resid 74   and name HG  ))
      2.300     0.600     0.600 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.49716E-02 ppm1      0.143 ppm2      1.524 CV     1
 ASSI { 1890}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "B   " and resid 74   and name HG  ))
      2.300     0.600     0.600 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.49716E-02 ppm1      0.143 ppm2      1.524 CV     1
 ASSI { 1893}
   (  segid "A   " and resid 128  and name HD2%)
   (( segid "A   " and resid 128  and name HB2 ))
      2.800     1.000     1.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.10073E-01 ppm1      0.690 ppm2      1.329 CV     1
 ASSI { 1893}
   (  segid "B   " and resid 128  and name HD2%)
   (( segid "B   " and resid 128  and name HB2 ))
      2.800     1.000     1.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.10073E-01 ppm1      0.690 ppm2      1.329 CV     1
 ASSI { 1894}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 79   and name HG  ))
      1.900     0.500     0.500 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.10398E-01 ppm1      0.856 ppm2      1.407 CV     1
 ASSI { 1894}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 79   and name HG  ))
      1.900     0.500     0.500 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.10398E-01 ppm1      0.856 ppm2      1.407 CV     1
 ASSI { 1895}
   (  segid "A   " and resid 128  and name HD2%)
   (( segid "A   " and resid 128  and name HA  ))
      2.200     0.600     0.600 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.14883E-01 ppm1      0.678 ppm2      4.650 CV     1
 ASSI { 1895}
   (  segid "B   " and resid 128  and name HD2%)
   (( segid "B   " and resid 128  and name HA  ))
      2.200     0.600     0.600 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.14883E-01 ppm1      0.678 ppm2      4.650 CV     1
 ASSI { 1896}
   (  segid "A   " and resid 128  and name HD2%)
   (( segid "A   " and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.39532E-02 ppm1      0.678 ppm2      1.759 CV     1
 ASSI { 1896}
   (  segid "B   " and resid 128  and name HD2%)
   (( segid "B   " and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.39532E-02 ppm1      0.678 ppm2      1.759 CV     1
 ASSI { 1897}
   (  segid "A   " and resid 128  and name HD2%)
   (( segid "A   " and resid 128  and name HG  ))
      1.900     0.500     0.500 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.16647E-01 ppm1      0.678 ppm2      1.173 CV     1
 ASSI { 1897}
   (  segid "B   " and resid 128  and name HD2%)
   (( segid "B   " and resid 128  and name HG  ))
      1.900     0.500     0.500 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.16647E-01 ppm1      0.678 ppm2      1.173 CV     1
 ASSI { 1900}
   (  segid "A   " and resid 125  and name HD2%)
   (  segid "A   " and resid 31   and name HD% )
      2.600     0.800     0.800 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.32281E-02 ppm1      0.105 ppm2      7.073 CV     1
 ASSI { 1900}
   (  segid "B   " and resid 125  and name HD2%)
   (  segid "B   " and resid 31   and name HD% )
      2.600     0.800     0.800 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.32281E-02 ppm1      0.105 ppm2      7.073 CV     1
 ASSI { 1901}
   (  segid "A   " and resid 25   and name HD2%)
   (( segid "A   " and resid 25   and name HA  ))
      2.000     0.500     0.500 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      0.932 ppm2      5.080 CV     1
 ASSI { 1901}
   (  segid "B   " and resid 25   and name HD2%)
   (( segid "B   " and resid 25   and name HA  ))
      2.000     0.500     0.500 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.84337E-02 ppm1      0.932 ppm2      5.080 CV     1
 ASSI { 1903}
   (  segid "A   " and resid 125  and name HD2%)
   (( segid "A   " and resid 125  and name HG  ))
      2.100     0.500     0.500 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.79379E-02 ppm1      0.105 ppm2      0.704 CV     1
 ASSI { 1903}
   (  segid "B   " and resid 125  and name HD2%)
   (( segid "B   " and resid 125  and name HG  ))
      2.100     0.500     0.500 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.79379E-02 ppm1      0.105 ppm2      0.704 CV     1
 ASSI { 1908}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 79   and name HA  ))
      2.300     0.700     0.700 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.98135E-02 ppm1      0.856 ppm2      4.260 CV     1
 ASSI { 1908}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 79   and name HA  ))
      2.300     0.700     0.700 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.98135E-02 ppm1      0.856 ppm2      4.260 CV     1
 ASSI { 1909}
   (  segid "A   " and resid 128  and name HD2%)
   (( segid "A   " and resid 58   and name HA  ))
      3.700     1.700     1.700 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.38252E-02 ppm1      0.678 ppm2      4.416 CV     1
 ASSI { 1909}
   (  segid "B   " and resid 128  and name HD2%)
   (( segid "B   " and resid 58   and name HA  ))
      3.700     1.700     1.700 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.38252E-02 ppm1      0.678 ppm2      4.416 CV     1
 ASSI { 1911}
   (  segid "A   " and resid 25   and name HD2%)
   (  segid "A   " and resid 111  and name HE% )
      3.600     1.600     1.600 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.18151E-02 ppm1      0.932 ppm2      6.721 CV     1
 ASSI { 1911}
   (  segid "B   " and resid 25   and name HD2%)
   (  segid "B   " and resid 111  and name HE% )
      3.600     1.600     1.600 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.18151E-02 ppm1      0.932 ppm2      6.721 CV     1
 ASSI { 1914}
   (  segid "A   " and resid 85   and name HG1%)
   (( segid "A   " and resid 85   and name HB  ))
      2.200     0.600     0.600 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.53848E-02 ppm1      1.046 ppm2      1.954 CV     1
 ASSI { 1914}
   (  segid "B   " and resid 85   and name HG1%)
   (( segid "B   " and resid 85   and name HB  ))
      2.200     0.600     0.600 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.53848E-02 ppm1      1.046 ppm2      1.954 CV     1
 ASSI { 1915}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 33   and name HG  ))
      1.900     0.500     0.500 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.94791E-02 ppm1      0.550 ppm2      1.212 CV     1
 ASSI { 1915}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 33   and name HG  ))
      1.900     0.500     0.500 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.94791E-02 ppm1      0.550 ppm2      1.212 CV     1
 ASSI { 1917}
   (  segid "A   " and resid 85   and name HG1%)
   (  segid "A   " and resid 102  and name HD1%)
      3.600     1.600     1.600 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.21010E-02 ppm1      1.046 ppm2      0.157 CV     1
 ASSI { 1917}
   (  segid "B   " and resid 85   and name HG1%)
   (  segid "B   " and resid 102  and name HD1%)
      3.600     1.600     1.600 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.21010E-02 ppm1      1.046 ppm2      0.157 CV     1
 ASSI { 1920}
   (  segid "A   " and resid 33   and name HD1%)
   (  segid "A   " and resid 33   and name HD2%)
      2.000     0.500     0.500 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.18466E-01 ppm1      0.550 ppm2      0.079 CV     1
 ASSI { 1920}
   (  segid "B   " and resid 33   and name HD1%)
   (  segid "B   " and resid 33   and name HD2%)
      2.000     0.500     0.500 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.18466E-01 ppm1      0.550 ppm2      0.079 CV     1
 ASSI { 1921}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.14530E-02 ppm1      0.754 ppm2      8.753 CV     1
 ASSI { 1921}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.14530E-02 ppm1      0.754 ppm2      8.753 CV     1
 ASSI { 1923}
   (  segid "A   " and resid 85   and name HG1%)
   (( segid "A   " and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.36310E-02 ppm1      1.034 ppm2      5.275 CV     1
 ASSI { 1923}
   (  segid "B   " and resid 85   and name HG1%)
   (( segid "B   " and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.36310E-02 ppm1      1.034 ppm2      5.275 CV     1
 ASSI { 1927}
   (  segid "A   " and resid 85   and name HG1%)
   (( segid "A   " and resid 86   and name HN  ))
      3.700     1.700     1.700 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.19330E-02 ppm1      1.034 ppm2      8.753 CV     1
 ASSI { 1927}
   (  segid "B   " and resid 85   and name HG1%)
   (( segid "B   " and resid 86   and name HN  ))
      3.700     1.700     1.700 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.19330E-02 ppm1      1.034 ppm2      8.753 CV     1
 ASSI { 1932}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.23740E-02 ppm1      0.550 ppm2      7.854 CV     1
 ASSI { 1932}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.23740E-02 ppm1      0.550 ppm2      7.854 CV     1
 ASSI { 1936}
   (  segid "A   " and resid 33   and name HD1%)
   (  segid "A   " and resid 111  and name HD% )
      3.600     1.600     1.600 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.87280E-03 ppm1      0.538 ppm2      6.995 CV     1
 ASSI { 1936}
   (  segid "B   " and resid 33   and name HD1%)
   (  segid "B   " and resid 111  and name HD% )
      3.600     1.600     1.600 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.87280E-03 ppm1      0.538 ppm2      6.995 CV     1
 ASSI { 1940}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.12729E-02 ppm1      0.550 ppm2      7.972 CV     1
 ASSI { 1940}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.12729E-02 ppm1      0.550 ppm2      7.972 CV     1
 ASSI { 1941}
   (  segid "A   " and resid 33   and name HD1%)
   (  segid "A   " and resid 111  and name HE% )
      3.100     1.200     1.200 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.15449E-02 ppm1      0.550 ppm2      6.721 CV     1
 ASSI { 1941}
   (  segid "B   " and resid 33   and name HD1%)
   (  segid "B   " and resid 111  and name HE% )
      3.100     1.200     1.200 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.15449E-02 ppm1      0.550 ppm2      6.721 CV     1
 ASSI { 1942}
   (  segid "A   " and resid 85   and name HG1%)
   (( segid "A   " and resid 41   and name HB  ))
      2.400     0.700     0.700 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.35641E-02 ppm1      1.046 ppm2      3.634 CV     1
 ASSI { 1942}
   (  segid "B   " and resid 85   and name HG1%)
   (( segid "B   " and resid 41   and name HB  ))
      2.400     0.700     0.700 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.35641E-02 ppm1      1.046 ppm2      3.634 CV     1
 ASSI { 1946}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 70   and name HA  ))
      3.000     1.100     1.100 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.52976E-02 ppm1      0.538 ppm2      3.283 CV     1
 ASSI { 1946}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 70   and name HA  ))
      3.000     1.100     1.100 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.52976E-02 ppm1      0.538 ppm2      3.283 CV     1
 ASSI { 1949}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 51   and name HA  ))
      3.500     1.500     1.500 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.34139E-02 ppm1      0.232 ppm2      3.791 CV     1
 ASSI { 1949}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 51   and name HA  ))
      3.500     1.500     1.500 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.34139E-02 ppm1      0.232 ppm2      3.791 CV     1
 ASSI { 1950}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 64   and name HB3 ))
      3.500     1.600     1.600 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.17380E-02 ppm1      0.232 ppm2      3.283 CV     1
 ASSI { 1950}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 64   and name HB3 ))
      3.500     1.600     1.600 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.17380E-02 ppm1      0.232 ppm2      3.283 CV     1
 ASSI { 1953}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 34   and name HA  ))
      2.300     0.600     0.600 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.57590E-02 ppm1      0.754 ppm2      3.869 CV     1
 ASSI { 1953}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 34   and name HA  ))
      2.300     0.600     0.600 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.57590E-02 ppm1      0.754 ppm2      3.869 CV     1
 ASSI { 1954}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.17789E-02 ppm1      0.232 ppm2      4.142 CV     1
 ASSI { 1954}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.17789E-02 ppm1      0.232 ppm2      4.142 CV     1
 ASSI { 1955}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 51   and name HG  ))
      2.100     0.500     0.500 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.13991E-01 ppm1      0.232 ppm2      1.290 CV     1
 OR { 1955}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 51   and name HB2 ))
 ASSI { 1955}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 51   and name HG  ))
      2.100     0.500     0.500 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.13991E-01 ppm1      0.232 ppm2      1.290 CV     1
 OR { 1955}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 51   and name HB2 ))
 ASSI { 1961}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 51   and name HB3 ))
      2.300     0.700     0.700 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.65518E-02 ppm1      0.232 ppm2      1.485 CV     1
 ASSI { 1961}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 51   and name HB3 ))
      2.300     0.700     0.700 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.65518E-02 ppm1      0.232 ppm2      1.485 CV     1
 ASSI { 1962}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 56   and name HE2 ))
      3.200     1.300     1.300 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.13313E-02 ppm1      0.232 ppm2      2.423 CV     1
 ASSI { 1962}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 56   and name HE2 ))
      3.200     1.300     1.300 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.13313E-02 ppm1      0.232 ppm2      2.423 CV     1
 ASSI { 1967}
   (( segid "A   " and resid 56   and name HG3 ))
   (( segid "A   " and resid 56   and name HG2 ))
      1.800     0.400     0.400 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.42048E-02 ppm1      1.123 ppm2      0.938 CV     1
 ASSI { 1967}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 56   and name HG2 ))
      1.800     0.400     0.400 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.42048E-02 ppm1      1.123 ppm2      0.938 CV     1
 ASSI { 1968}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "A   " and resid 11   and name HZ  ))
      3.800     1.800     1.800 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.17120E-02 ppm1      0.436 ppm2      7.034 CV     1
 ASSI { 1968}
   (  segid "B   " and resid 15   and name HG2%)
   (( segid "B   " and resid 11   and name HZ  ))
      3.700     1.800     1.800 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.17120E-02 ppm1      0.436 ppm2      7.034 CV     1
 ASSI { 1970}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "B   " and resid 97   and name HB3 ))
      3.000     1.100     1.100 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.31279E-02 ppm1      0.436 ppm2      1.915 CV     1
 ASSI { 1970}
   (  segid "B   " and resid 15   and name HG2%)
   (( segid "A   " and resid 97   and name HB3 ))
      2.900     1.100     1.100 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.31279E-02 ppm1      0.436 ppm2      1.915 CV     1
 ASSI { 1974}
   (( segid "A   " and resid 56   and name HG2 ))
   (( segid "A   " and resid 56   and name HD3 ))
      2.200     0.600     0.600 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.63068E-02 ppm1      0.932 ppm2      1.173 CV     1
 OR { 1974}
   (( segid "A   " and resid 56   and name HG2 ))
   (( segid "A   " and resid 56   and name HB2 ))
 ASSI { 1974}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 56   and name HD3 ))
      2.200     0.600     0.600 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.63068E-02 ppm1      0.932 ppm2      1.173 CV     1
 OR { 1974}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 56   and name HB2 ))
 ASSI { 1975}
   (  segid "A   " and resid 15   and name HG2%)
   (  segid "B   " and resid 97   and name HD1%)
      2.600     0.800     0.800 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.41360E-02 ppm1      0.436 ppm2      1.016 CV     1
 ASSI { 1975}
   (  segid "B   " and resid 15   and name HG2%)
   (  segid "A   " and resid 97   and name HD1%)
      2.600     0.800     0.800 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.41360E-02 ppm1      0.436 ppm2      1.016 CV     1
 ASSI { 1979}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 51   and name HB3 ))
      3.400     1.500     1.500 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.28325E-02 ppm1      0.321 ppm2      1.485 CV     1
 ASSI { 1979}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 51   and name HB3 ))
      3.400     1.500     1.500 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.28325E-02 ppm1      0.321 ppm2      1.485 CV     1
 ASSI { 1982}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 64   and name HB2 ))
      3.700     1.700     1.700 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.86974E-03 ppm1      0.334 ppm2      2.970 CV     1
 ASSI { 1982}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 64   and name HB2 ))
      3.700     1.700     1.700 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.86974E-03 ppm1      0.334 ppm2      2.970 CV     1
 ASSI { 1983}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 42   and name HN  ))
      3.200     1.200     1.200 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.11707E-02 ppm1      0.754 ppm2      8.480 CV     1
 ASSI { 1983}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 42   and name HN  ))
      3.200     1.200     1.200 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.11707E-02 ppm1      0.754 ppm2      8.480 CV     1
 ASSI { 1985}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "A   " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.52938E-02 ppm1      0.436 ppm2      3.283 CV     1
 ASSI { 1985}
   (  segid "B   " and resid 15   and name HG2%)
   (( segid "B   " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.52938E-02 ppm1      0.436 ppm2      3.283 CV     1
 ASSI { 1986}
   (( segid "A   " and resid 56   and name HG2 ))
   (( segid "A   " and resid 56   and name HE3 ))
      3.900     1.900     1.900 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.88450E-03 ppm1      0.932 ppm2      2.618 CV     1
 ASSI { 1986}
   (( segid "B   " and resid 56   and name HG2 ))
   (( segid "B   " and resid 56   and name HE3 ))
      3.900     1.900     1.900 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.88450E-03 ppm1      0.932 ppm2      2.618 CV     1
 ASSI { 1987}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "A   " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.23582E-02 ppm1      0.436 ppm2      3.400 CV     1
 ASSI { 1987}
   (  segid "B   " and resid 15   and name HG2%)
   (( segid "B   " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.23582E-02 ppm1      0.436 ppm2      3.400 CV     1
 ASSI { 1988}
   (( segid "A   " and resid 56   and name HG3 ))
   (( segid "A   " and resid 56   and name HE3 ))
      3.900     1.900     1.900 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.91385E-03 ppm1      1.110 ppm2      2.618 CV     1
 ASSI { 1988}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 56   and name HE3 ))
      3.900     1.900     1.900 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.91385E-03 ppm1      1.110 ppm2      2.618 CV     1
 ASSI { 1991}
   (  segid "A   " and resid 15   and name HG2%)
   (  segid "A   " and resid 11   and name HD% )
      3.100     1.200     1.200 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.15421E-02 ppm1      0.436 ppm2      7.385 CV     1
 ASSI { 1991}
   (  segid "B   " and resid 15   and name HG2%)
   (  segid "B   " and resid 11   and name HD% )
      3.100     1.200     1.200 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.15421E-02 ppm1      0.436 ppm2      7.385 CV     1
 ASSI { 1993}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "A   " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.92100E-02 ppm1      0.436 ppm2      1.720 CV     1
 ASSI { 1993}
   (  segid "B   " and resid 15   and name HG2%)
   (( segid "B   " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.92100E-02 ppm1      0.436 ppm2      1.720 CV     1
 ASSI { 1994}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 51   and name HG  ))
      2.100     0.600     0.600 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.93213E-02 ppm1      0.334 ppm2      1.290 CV     1
 OR { 1994}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 51   and name HB2 ))
 ASSI { 1994}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 51   and name HG  ))
      2.100     0.600     0.600 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.93213E-02 ppm1      0.334 ppm2      1.290 CV     1
 OR { 1994}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 51   and name HB2 ))
 ASSI { 1996}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 64   and name HD2 ))
      3.100     1.200     1.200 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.16266E-02 ppm1      0.334 ppm2      7.034 CV     1
 ASSI { 1996}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 64   and name HD2 ))
      3.100     1.200     1.200 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.16266E-02 ppm1      0.334 ppm2      7.034 CV     1
 ASSI { 1998}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.37786E-02 ppm1      0.334 ppm2      3.791 CV     1
 ASSI { 1998}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.37786E-02 ppm1      0.334 ppm2      3.791 CV     1
 ASSI { 1999}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.18643E-02 ppm1      0.767 ppm2      7.972 CV     1
 ASSI { 1999}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.18643E-02 ppm1      0.767 ppm2      7.972 CV     1
 ASSI { 2000}
   (  segid "A   " and resid 15   and name HG2%)
   (  segid "A   " and resid 11   and name HE% )
      2.500     0.800     0.800 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.28466E-02 ppm1      0.436 ppm2      7.190 CV     1
 ASSI { 2000}
   (  segid "B   " and resid 15   and name HG2%)
   (  segid "B   " and resid 11   and name HE% )
      2.500     0.800     0.800 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.28466E-02 ppm1      0.436 ppm2      7.190 CV     1
 ASSI { 2001}
   (( segid "A   " and resid 56   and name HG3 ))
   (( segid "A   " and resid 56   and name HE2 ))
      3.100     1.200     1.200 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.66994E-03 ppm1      1.135 ppm2      2.423 CV     1
 ASSI { 2001}
   (( segid "B   " and resid 56   and name HG3 ))
   (( segid "B   " and resid 56   and name HE2 ))
      3.100     1.200     1.200 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.66994E-03 ppm1      1.135 ppm2      2.423 CV     1
 ASSI { 2014}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "A   " and resid 102  and name HA  ))
      4.900     2.900     1.100 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.73820E-03 ppm1     -0.073 ppm2      3.791 CV     1
 ASSI { 2014}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "B   " and resid 102  and name HA  ))
      4.800     2.900     1.200 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.73820E-03 ppm1     -0.073 ppm2      3.791 CV     1
 ASSI { 2018}
   (  segid "A   " and resid 97   and name HD1%)
   (( segid "A   " and resid 97   and name HB3 ))
      2.300     0.700     0.700 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.65480E-02 ppm1      0.996 ppm2      1.954 CV     1
 ASSI { 2018}
   (  segid "B   " and resid 97   and name HD1%)
   (( segid "B   " and resid 97   and name HB3 ))
      2.300     0.700     0.700 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.65480E-02 ppm1      0.996 ppm2      1.954 CV     1
 ASSI { 2020}
   (  segid "A   " and resid 97   and name HD1%)
   (( segid "A   " and resid 97   and name HA  ))
      2.800     1.000     1.000 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.20908E-02 ppm1      1.008 ppm2      3.908 CV     1
 ASSI { 2020}
   (  segid "B   " and resid 97   and name HD1%)
   (( segid "B   " and resid 97   and name HA  ))
      2.800     1.000     1.000 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.20908E-02 ppm1      1.008 ppm2      3.908 CV     1
 ASSI { 2024}
   (  segid "A   " and resid 97   and name HD1%)
   (( segid "A   " and resid 97   and name HB2 ))
      3.200     1.300     1.300 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.43580E-02 ppm1      0.996 ppm2      1.681 CV     1
 ASSI { 2024}
   (  segid "B   " and resid 97   and name HD1%)
   (( segid "B   " and resid 97   and name HB2 ))
      3.200     1.300     1.300 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.43580E-02 ppm1      0.996 ppm2      1.681 CV     1
 ASSI { 2037}
   (  segid "A   " and resid 97   and name HD1%)
   (( segid "B   " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.10519E-02 ppm1      0.996 ppm2      3.283 CV     1
 ASSI { 2037}
   (  segid "B   " and resid 97   and name HD1%)
   (( segid "A   " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.10519E-02 ppm1      0.996 ppm2      3.283 CV     1
 ASSI { 2039}
   (( segid "A   " and resid 63   and name HG2 ))
   (( segid "A   " and resid 63   and name HG3 ))
      1.500     0.300     0.700 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.19599E-01 ppm1      1.174 ppm2      1.290 CV     1
 ASSI { 2039}
   (( segid "B   " and resid 63   and name HG2 ))
   (( segid "B   " and resid 63   and name HG3 ))
      1.500     0.300     0.700 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.19599E-01 ppm1      1.174 ppm2      1.290 CV     1
 ASSI { 2040}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "A   " and resid 74   and name HG  ))
      2.400     0.700     0.700 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.35522E-02 ppm1     -0.086 ppm2      1.524 CV     1
 ASSI { 2040}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "B   " and resid 74   and name HG  ))
      2.400     0.700     0.700 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.35522E-02 ppm1     -0.086 ppm2      1.524 CV     1
 ASSI { 2048}
   (( segid "A   " and resid 63   and name HG2 ))
   (( segid "A   " and resid 63   and name HB3 ))
      1.900     0.500     0.500 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.83698E-02 ppm1      1.186 ppm2      1.446 CV     1
 ASSI { 2048}
   (( segid "B   " and resid 63   and name HG2 ))
   (( segid "B   " and resid 63   and name HB3 ))
      1.900     0.500     0.500 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.83698E-02 ppm1      1.186 ppm2      1.446 CV     1
 ASSI { 2049}
   (( segid "A   " and resid 63   and name HG2 ))
   (( segid "A   " and resid 63   and name HD3 ))
      2.600     0.800     0.800 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.30518E-02 ppm1      1.174 ppm2      1.759 CV     1
 ASSI { 2049}
   (( segid "B   " and resid 63   and name HG2 ))
   (( segid "B   " and resid 63   and name HD3 ))
      2.600     0.800     0.800 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.30518E-02 ppm1      1.174 ppm2      1.759 CV     1
 ASSI { 2050}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "A   " and resid 74   and name HB3 ))
      3.200     1.300     1.300 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.38455E-02 ppm1     -0.086 ppm2      1.642 CV     1
 ASSI { 2050}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "B   " and resid 74   and name HB3 ))
      3.200     1.300     1.300 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.38455E-02 ppm1     -0.086 ppm2      1.642 CV     1
 ASSI { 2053}
   (( segid "A   " and resid 63   and name HG2 ))
   (( segid "A   " and resid 63   and name HE3 ))
      2.700     0.900     0.900 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.20499E-02 ppm1      1.186 ppm2      3.009 CV     1
 OR { 2053}
   (( segid "A   " and resid 63   and name HG2 ))
   (( segid "A   " and resid 63   and name HE2 ))
 ASSI { 2053}
   (( segid "B   " and resid 63   and name HG2 ))
   (( segid "B   " and resid 63   and name HE3 ))
      2.700     0.900     0.900 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.20499E-02 ppm1      1.186 ppm2      3.009 CV     1
 OR { 2053}
   (( segid "B   " and resid 63   and name HG2 ))
   (( segid "B   " and resid 63   and name HE2 ))
 ASSI { 2060}
   (( segid "A   " and resid 76   and name HG3 ))
   (( segid "A   " and resid 73   and name HA  ))
      1.800     0.400     0.400 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.47786E-02 ppm1      1.479 ppm2      4.064 CV     1
 ASSI { 2060}
   (( segid "B   " and resid 76   and name HG3 ))
   (( segid "B   " and resid 73   and name HA  ))
      1.800     0.400     0.400 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.47786E-02 ppm1      1.479 ppm2      4.064 CV     1
 ASSI { 2061}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "A   " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.20639E-02 ppm1     -0.073 ppm2      3.478 CV     1
 ASSI { 2061}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "B   " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.20639E-02 ppm1     -0.073 ppm2      3.478 CV     1
 ASSI { 2065}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 120  and name HA  ))
      2.400     0.700     0.700 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.58313E-02 ppm1     -0.226 ppm2      3.791 CV     1
 ASSI { 2065}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 120  and name HA  ))
      2.400     0.700     0.700 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.58313E-02 ppm1     -0.226 ppm2      3.791 CV     1
 ASSI { 2066}
   (  segid "A   " and resid 125  and name HD1%)
   (  segid "A   " and resid 31   and name HD% )
      3.400     1.400     1.400 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.18243E-02 ppm1     -0.226 ppm2      7.073 CV     1
 ASSI { 2066}
   (  segid "B   " and resid 125  and name HD1%)
   (  segid "B   " and resid 31   and name HD% )
      3.400     1.400     1.400 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.18243E-02 ppm1     -0.226 ppm2      7.073 CV     1
 ASSI { 2067}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 27   and name HG3 ))
      3.800     1.800     1.800 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.15338E-02 ppm1     -0.226 ppm2      2.228 CV     1
 ASSI { 2067}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 27   and name HG3 ))
      3.800     1.800     1.800 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.15338E-02 ppm1     -0.226 ppm2      2.228 CV     1
 ASSI { 2070}
   (  segid "A   " and resid 128  and name HD1%)
   (( segid "A   " and resid 128  and name HA  ))
      3.700     1.700     1.700 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.25281E-02 ppm1      0.627 ppm2      4.650 CV     1
 ASSI { 2070}
   (  segid "B   " and resid 128  and name HD1%)
   (( segid "B   " and resid 128  and name HA  ))
      3.700     1.700     1.700 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.25281E-02 ppm1      0.627 ppm2      4.650 CV     1
 ASSI { 2071}
   (( segid "A   " and resid 63   and name HG2 ))
   (( segid "A   " and resid 63   and name HA  ))
      3.600     1.700     1.700 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.18123E-02 ppm1      1.174 ppm2      4.260 CV     1
 ASSI { 2071}
   (( segid "B   " and resid 63   and name HG2 ))
   (( segid "B   " and resid 63   and name HA  ))
      3.600     1.700     1.700 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.18123E-02 ppm1      1.174 ppm2      4.260 CV     1
 ASSI { 2072}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 120  and name HE3 ))
      3.500     1.500     1.500 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.80224E-03 ppm1     -0.200 ppm2      7.620 CV     1
 ASSI { 2072}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 120  and name HE3 ))
      3.500     1.500     1.500 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.80224E-03 ppm1     -0.200 ppm2      7.620 CV     1
 ASSI { 2073}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 27   and name HB2 ))
      2.200     0.600     0.600 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.51016E-02 ppm1     -0.213 ppm2      1.642 CV     1
 ASSI { 2073}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 27   and name HB2 ))
      2.200     0.600     0.600 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.51016E-02 ppm1     -0.213 ppm2      1.642 CV     1
 ASSI { 2074}
   (( segid "A   " and resid 63   and name HG2 ))
   (( segid "A   " and resid 63   and name HN  ))
      4.300     2.300     1.700 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.76419E-03 ppm1      1.186 ppm2      8.480 CV     1
 ASSI { 2074}
   (( segid "B   " and resid 63   and name HG2 ))
   (( segid "B   " and resid 63   and name HN  ))
      4.300     2.300     1.700 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.76419E-03 ppm1      1.186 ppm2      8.480 CV     1
 ASSI { 2075}
   (  segid "A   " and resid 128  and name HD1%)
   (( segid "A   " and resid 56   and name HE2 ))
      3.800     1.800     1.800 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.29403E-02 ppm1      0.639 ppm2      2.423 CV     1
 ASSI { 2075}
   (  segid "B   " and resid 128  and name HD1%)
   (( segid "B   " and resid 56   and name HE2 ))
      3.800     1.800     1.800 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.29403E-02 ppm1      0.639 ppm2      2.423 CV     1
 ASSI { 2080}
   (  segid "A   " and resid 128  and name HD1%)
   (( segid "A   " and resid 56   and name HE3 ))
      2.300     0.700     0.700 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.24770E-02 ppm1      0.639 ppm2      2.618 CV     1
 ASSI { 2080}
   (  segid "B   " and resid 128  and name HD1%)
   (( segid "B   " and resid 56   and name HE3 ))
      2.300     0.700     0.700 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.24770E-02 ppm1      0.639 ppm2      2.618 CV     1
 ASSI { 2081}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 31   and name HB3 ))
      3.200     1.300     1.300 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.14047E-02 ppm1     -0.226 ppm2      2.892 CV     1
 ASSI { 2081}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 31   and name HB3 ))
      3.200     1.300     1.300 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.14047E-02 ppm1     -0.226 ppm2      2.892 CV     1
 ASSI { 2083}
   (  segid "A   " and resid 128  and name HD1%)
   (( segid "A   " and resid 58   and name HA  ))
      2.400     0.700     0.700 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.38669E-02 ppm1      0.639 ppm2      4.416 CV     1
 ASSI { 2083}
   (  segid "B   " and resid 128  and name HD1%)
   (( segid "B   " and resid 58   and name HA  ))
      2.400     0.700     0.700 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.38669E-02 ppm1      0.639 ppm2      4.416 CV     1
 ASSI { 2084}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 27   and name HB3 ))
      3.300     1.400     1.400 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.18494E-02 ppm1     -0.226 ppm2      2.657 CV     1
 ASSI { 2084}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 27   and name HB3 ))
      3.300     1.400     1.400 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.18494E-02 ppm1     -0.226 ppm2      2.657 CV     1
 ASSI { 2086}
   (  segid "A   " and resid 125  and name HD1%)
   (  segid "A   " and resid 31   and name HE% )
      4.100     2.100     1.900 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.96649E-03 ppm1     -0.226 ppm2      6.878 CV     1
 ASSI { 2086}
   (  segid "B   " and resid 125  and name HD1%)
   (  segid "B   " and resid 31   and name HE% )
      4.100     2.100     1.900 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.96649E-03 ppm1     -0.226 ppm2      6.878 CV     1
 ASSI { 2100}
   (  segid "A   " and resid 128  and name HD1%)
   (( segid "A   " and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.19868E-02 ppm1      0.627 ppm2      1.759 CV     1
 ASSI { 2100}
   (  segid "B   " and resid 128  and name HD1%)
   (( segid "B   " and resid 58   and name HB2 ))
      3.100     1.200     1.200 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.19868E-02 ppm1      0.627 ppm2      1.759 CV     1
 ASSI { 2103}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 42   and name HN  ))
      3.700     1.700     1.700 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.19386E-02 ppm1      0.372 ppm2      8.480 CV     1
 ASSI { 2103}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 42   and name HN  ))
      3.700     1.700     1.700 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.19386E-02 ppm1      0.372 ppm2      8.480 CV     1
 ASSI { 2106}
   (  segid "A   " and resid 42   and name HD2%)
   (  segid "A   " and resid 62   and name HD% )
      2.700     0.900     0.900 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.41065E-02 ppm1      0.372 ppm2      6.760 CV     1
 ASSI { 2106}
   (  segid "B   " and resid 42   and name HD2%)
   (  segid "B   " and resid 62   and name HD% )
      2.700     0.900     0.900 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.41065E-02 ppm1      0.372 ppm2      6.760 CV     1
 ASSI { 2111}
   (  segid "A   " and resid 42   and name HD2%)
   (  segid "A   " and resid 62   and name HE% )
      3.500     1.500     1.500 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.31956E-02 ppm1      0.372 ppm2      6.526 CV     1
 ASSI { 2111}
   (  segid "B   " and resid 42   and name HD2%)
   (  segid "B   " and resid 62   and name HE% )
      3.500     1.500     1.500 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.31956E-02 ppm1      0.372 ppm2      6.526 CV     1
 ASSI { 2113}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 62   and name HE% )
      4.500     2.500     1.500 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.79501E-03 ppm1      0.245 ppm2      6.526 CV     1
 ASSI { 2113}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 62   and name HE% )
      4.500     2.500     1.500 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.79501E-03 ppm1      0.245 ppm2      6.526 CV     1
 ASSI { 2116}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 62   and name HD% )
      3.700     1.700     1.700 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.15579E-02 ppm1      0.245 ppm2      6.760 CV     1
 ASSI { 2116}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 62   and name HD% )
      3.700     1.700     1.700 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.15579E-02 ppm1      0.245 ppm2      6.760 CV     1
 ASSI { 2123}
   (( segid "A   " and resid 102  and name HG  ))
   (  segid "A   " and resid 102  and name HD1%)
      2.700     0.900     0.900 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.21994E-02 ppm1      1.555 ppm2      0.157 CV     1
 ASSI { 2123}
   (( segid "B   " and resid 102  and name HG  ))
   (  segid "B   " and resid 102  and name HD1%)
      2.700     0.900     0.900 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.21994E-02 ppm1      1.555 ppm2      0.157 CV     1
 ASSI { 2124}
   (  segid "A   " and resid 33   and name HD2%)
   (( segid "A   " and resid 33   and name HA  ))
      3.900     1.900     1.900 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.22978E-02 ppm1      0.054 ppm2      3.908 CV     1
 ASSI { 2124}
   (  segid "B   " and resid 33   and name HD2%)
   (( segid "B   " and resid 33   and name HA  ))
      3.900     1.900     1.900 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.22978E-02 ppm1      0.054 ppm2      3.908 CV     1
 ASSI { 2125}
   (  segid "A   " and resid 79   and name HD1%)
   (( segid "A   " and resid 63   and name HE3 ))
      2.900     1.000     1.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.11206E-02 ppm1      0.728 ppm2      3.009 CV     1
 OR { 2125}
   (  segid "A   " and resid 79   and name HD1%)
   (( segid "A   " and resid 63   and name HE2 ))
 ASSI { 2125}
   (  segid "B   " and resid 79   and name HD1%)
   (( segid "B   " and resid 63   and name HE3 ))
      2.900     1.000     1.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.11206E-02 ppm1      0.728 ppm2      3.009 CV     1
 OR { 2125}
   (  segid "B   " and resid 79   and name HD1%)
   (( segid "B   " and resid 63   and name HE2 ))
 ASSI { 2131}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 88   and name HB2 ))
      2.600     0.900     0.900 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.98785E-03 ppm1      0.245 ppm2      2.462 CV     1
 ASSI { 2131}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 88   and name HB2 ))
      2.600     0.900     0.900 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.98785E-03 ppm1      0.245 ppm2      2.462 CV     1
 ASSI { 2133}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 88   and name HB3 ))
      3.900     1.900     1.900 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.99156E-03 ppm1      0.258 ppm2      2.853 CV     1
 ASSI { 2133}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 88   and name HB3 ))
      3.900     1.900     1.900 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.99156E-03 ppm1      0.258 ppm2      2.853 CV     1
 ASSI { 2134}
   (  segid "A   " and resid 33   and name HD2%)
   (( segid "A   " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.15959E-02 ppm1      0.054 ppm2      7.854 CV     1
 ASSI { 2134}
   (  segid "B   " and resid 33   and name HD2%)
   (( segid "B   " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.15959E-02 ppm1      0.054 ppm2      7.854 CV     1
 ASSI { 2139}
   (  segid "A   " and resid 33   and name HD2%)
   (( segid "A   " and resid 33   and name HG  ))
      2.100     0.600     0.600 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.69111E-02 ppm1      0.054 ppm2      1.212 CV     1
 ASSI { 2139}
   (  segid "B   " and resid 33   and name HD2%)
   (( segid "B   " and resid 33   and name HG  ))
      2.100     0.600     0.600 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.69111E-02 ppm1      0.054 ppm2      1.212 CV     1
 ASSI { 2143}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 42   and name HB3 ))
      3.200     1.300     1.300 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.27008E-02 ppm1      0.258 ppm2      1.681 CV     1
 ASSI { 2143}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 42   and name HB3 ))
      3.200     1.300     1.300 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.27008E-02 ppm1      0.258 ppm2      1.681 CV     1
 ASSI { 2145}
   (  segid "A   " and resid 33   and name HD2%)
   (( segid "A   " and resid 33   and name HB3 ))
      2.300     0.700     0.700 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.44972E-02 ppm1      0.054 ppm2      1.759 CV     1
 ASSI { 2145}
   (  segid "B   " and resid 33   and name HD2%)
   (( segid "B   " and resid 33   and name HB3 ))
      2.300     0.700     0.700 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.44972E-02 ppm1      0.054 ppm2      1.759 CV     1
 ASSI { 2147}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 42   and name HG  ))
      2.300     0.700     0.700 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.35912E-02 ppm1      0.245 ppm2      1.329 CV     1
 ASSI { 2147}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 42   and name HG  ))
      2.300     0.700     0.700 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.35912E-02 ppm1      0.245 ppm2      1.329 CV     1
 ASSI { 2149}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 34   and name HD1%)
      2.500     0.800     0.800 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.70151E-02 ppm1      0.258 ppm2      0.938 CV     1
 ASSI { 2149}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 34   and name HD1%)
      2.500     0.800     0.800 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.70151E-02 ppm1      0.258 ppm2      0.938 CV     1
 ASSI { 2151}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 86   and name HG2%)
      2.200     0.600     0.600 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.69799E-02 ppm1      0.245 ppm2      0.821 CV     1
 ASSI { 2151}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 86   and name HG2%)
      2.200     0.600     0.600 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.69799E-02 ppm1      0.245 ppm2      0.821 CV     1
 ASSI { 2154}
   (  segid "A   " and resid 102  and name HD1%)
   (( segid "A   " and resid 102  and name HN  ))
      3.700     1.700     1.700 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.18847E-02 ppm1      0.156 ppm2      8.753 CV     1
 ASSI { 2154}
   (  segid "B   " and resid 102  and name HD1%)
   (( segid "B   " and resid 102  and name HN  ))
      3.700     1.700     1.700 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.18847E-02 ppm1      0.156 ppm2      8.753 CV     1
 ASSI { 2155}
   (  segid "A   " and resid 79   and name HD1%)
   (  segid "A   " and resid 43   and name HD1%)
      2.200     0.600     0.600 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.57089E-02 ppm1      0.728 ppm2      0.469 CV     1
 ASSI { 2155}
   (  segid "B   " and resid 79   and name HD1%)
   (  segid "B   " and resid 43   and name HD1%)
      2.200     0.600     0.600 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.57089E-02 ppm1      0.728 ppm2      0.469 CV     1
 ASSI { 2160}
   (  segid "A   " and resid 33   and name HD2%)
   (  segid "A   " and resid 40   and name HD1%)
      2.700     0.900     0.900 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.10853E-01 ppm1      0.054 ppm2      0.782 CV     1
 ASSI { 2160}
   (  segid "B   " and resid 33   and name HD2%)
   (  segid "B   " and resid 40   and name HD1%)
      2.700     0.900     0.900 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.10853E-01 ppm1      0.054 ppm2      0.782 CV     1
 ASSI { 2168}
   (( segid "A   " and resid 28   and name HG2 ))
   (( segid "A   " and resid 27   and name HD2 ))
      3.800     1.800     1.800 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.80884E-03 ppm1      1.212 ppm2      3.908 CV     1
 ASSI { 2168}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 27   and name HD2 ))
      3.800     1.800     1.800 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.80884E-03 ppm1      1.212 ppm2      3.908 CV     1
 ASSI { 2171}
   (  segid "A   " and resid 102  and name HD1%)
   (( segid "A   " and resid 110  and name HG12))
      3.600     1.600     1.600 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.25847E-02 ppm1      0.169 ppm2      1.290 CV     1
 ASSI { 2171}
   (  segid "B   " and resid 102  and name HD1%)
   (( segid "B   " and resid 110  and name HG12))
      3.600     1.600     1.600 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.25847E-02 ppm1      0.169 ppm2      1.290 CV     1
 ASSI { 2172}
   (  segid "A   " and resid 121  and name HD1%)
   (( segid "A   " and resid 121  and name HA  ))
      4.100     2.100     1.900 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.19135E-02 ppm1      1.021 ppm2      4.260 CV     1
 ASSI { 2172}
   (  segid "B   " and resid 121  and name HD1%)
   (( segid "B   " and resid 121  and name HA  ))
      4.100     2.100     1.900 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.19135E-02 ppm1      1.021 ppm2      4.260 CV     1
 ASSI { 2175}
   (( segid "A   " and resid 28   and name HG2 ))
   (( segid "A   " and resid 28   and name HE2 ))
      3.700     1.700     1.700 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.21177E-02 ppm1      1.237 ppm2      2.931 CV     1
 OR { 2175}
   (( segid "A   " and resid 28   and name HG2 ))
   (( segid "A   " and resid 28   and name HE3 ))
 ASSI { 2175}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 28   and name HE2 ))
      3.700     1.700     1.700 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.21177E-02 ppm1      1.237 ppm2      2.931 CV     1
 OR { 2175}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 28   and name HE3 ))
 ASSI { 2182}
   (  segid "A   " and resid 121  and name HD1%)
   (( segid "A   " and resid 118  and name HA  ))
      3.700     1.700     1.700 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.14641E-02 ppm1      1.008 ppm2      4.377 CV     1
 ASSI { 2182}
   (  segid "B   " and resid 121  and name HD1%)
   (( segid "B   " and resid 118  and name HA  ))
      3.700     1.700     1.700 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.14641E-02 ppm1      1.008 ppm2      4.377 CV     1
 ASSI { 2184}
   (  segid "A   " and resid 121  and name HD1%)
   (( segid "A   " and resid 121  and name HG  ))
      2.400     0.700     0.700 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.43932E-02 ppm1      1.021 ppm2      1.798 CV     1
 ASSI { 2184}
   (  segid "B   " and resid 121  and name HD1%)
   (( segid "B   " and resid 121  and name HG  ))
      2.400     0.700     0.700 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.43932E-02 ppm1      1.021 ppm2      1.798 CV     1
 ASSI { 2185}
   (  segid "A   " and resid 70   and name HD2%)
   (( segid "A   " and resid 70   and name HG  ))
      2.000     0.500     0.500 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.92528E-02 ppm1      0.627 ppm2      0.977 CV     1
 ASSI { 2185}
   (  segid "B   " and resid 70   and name HD2%)
   (( segid "B   " and resid 70   and name HG  ))
      2.000     0.500     0.500 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.92528E-02 ppm1      0.627 ppm2      0.977 CV     1
 ASSI { 2188}
   (  segid "A   " and resid 70   and name HD2%)
   (( segid "A   " and resid 101  and name HB  ))
      4.300     2.300     1.700 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.12757E-02 ppm1      0.627 ppm2      4.220 CV     1
 ASSI { 2188}
   (  segid "B   " and resid 70   and name HD2%)
   (( segid "B   " and resid 101  and name HB  ))
      4.300     2.300     1.700 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.12757E-02 ppm1      0.627 ppm2      4.220 CV     1
 ASSI { 2192}
   (( segid "A   " and resid 28   and name HG2 ))
   (( segid "A   " and resid 28   and name HG3 ))
      1.800     0.400     0.400 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.88804E-02 ppm1      1.237 ppm2      1.485 CV     1
 ASSI { 2192}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 28   and name HG3 ))
      1.800     0.400     0.400 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.88804E-02 ppm1      1.237 ppm2      1.485 CV     1
 ASSI { 2200}
   (( segid "A   " and resid 130  and name HG2 ))
   (( segid "A   " and resid 130  and name HB3 ))
      2.200     0.600     0.600 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.15273E-01 ppm1      1.453 ppm2      1.720 CV     1
 OR { 2200}
   (( segid "A   " and resid 130  and name HG3 ))
   (( segid "A   " and resid 130  and name HB3 ))
 ASSI { 2200}
   (( segid "B   " and resid 130  and name HG2 ))
   (( segid "B   " and resid 130  and name HB3 ))
      2.200     0.600     0.600 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.15273E-01 ppm1      1.453 ppm2      1.720 CV     1
 OR { 2200}
   (( segid "B   " and resid 130  and name HG3 ))
   (( segid "B   " and resid 130  and name HB3 ))
 ASSI { 2214}
   (( segid "A   " and resid 28   and name HG3 ))
   (( segid "A   " and resid 28   and name HE2 ))
      2.700     0.900     0.900 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.23489E-02 ppm1      1.479 ppm2      2.931 CV     1
 OR { 2214}
   (( segid "A   " and resid 28   and name HG3 ))
   (( segid "A   " and resid 28   and name HE3 ))
 ASSI { 2214}
   (( segid "B   " and resid 28   and name HG3 ))
   (( segid "B   " and resid 28   and name HE2 ))
      2.700     0.900     0.900 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.23489E-02 ppm1      1.479 ppm2      2.931 CV     1
 OR { 2214}
   (( segid "B   " and resid 28   and name HG3 ))
   (( segid "B   " and resid 28   and name HE3 ))
 ASSI { 2216}
   (  segid "A   " and resid 70   and name HD2%)
   (( segid "A   " and resid 70   and name HA  ))
      4.100     2.100     1.900 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.16526E-02 ppm1      0.627 ppm2      3.283 CV     1
 ASSI { 2216}
   (  segid "B   " and resid 70   and name HD2%)
   (( segid "B   " and resid 70   and name HA  ))
      4.100     2.100     1.900 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.16526E-02 ppm1      0.627 ppm2      3.283 CV     1
 ASSI { 2218}
   (( segid "A   " and resid 28   and name HG2 ))
   (( segid "A   " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.11930E-02 ppm1      1.237 ppm2      3.752 CV     1
 ASSI { 2218}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.11930E-02 ppm1      1.237 ppm2      3.752 CV     1
 ASSI { 2219}
   (  segid "A   " and resid 73   and name HD1%)
   (( segid "A   " and resid 73   and name HB3 ))
      2.200     0.600     0.600 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.68147E-02 ppm1      0.639 ppm2      1.798 CV     1
 ASSI { 2219}
   (  segid "B   " and resid 73   and name HD1%)
   (( segid "B   " and resid 73   and name HB3 ))
      2.200     0.600     0.600 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.68147E-02 ppm1      0.639 ppm2      1.798 CV     1
 ASSI { 2222}
   (( segid "A   " and resid 103  and name HG2 ))
   (( segid "A   " and resid 103  and name HG3 ))
      1.600     0.300     0.600 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.14010E-01 ppm1      1.720 ppm2      1.915 CV     1
 ASSI { 2222}
   (( segid "B   " and resid 103  and name HG2 ))
   (( segid "B   " and resid 103  and name HG3 ))
      1.600     0.300     0.600 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.14010E-01 ppm1      1.720 ppm2      1.915 CV     1
 ASSI { 2229}
   (( segid "A   " and resid 128  and name HG  ))
   (  segid "A   " and resid 128  and name HD1%)
      2.200     0.600     0.600 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.57785E-02 ppm1      1.161 ppm2      0.665 CV     1
 ASSI { 2229}
   (( segid "B   " and resid 128  and name HG  ))
   (  segid "B   " and resid 128  and name HD1%)
      2.200     0.600     0.600 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.57785E-02 ppm1      1.161 ppm2      0.665 CV     1
 ASSI { 2233}
   (( segid "A   " and resid 103  and name HG2 ))
   (( segid "A   " and resid 100  and name HA  ))
      2.800     0.900     0.900 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.11893E-02 ppm1      1.733 ppm2      4.064 CV     1
 ASSI { 2233}
   (( segid "B   " and resid 103  and name HG2 ))
   (( segid "B   " and resid 100  and name HA  ))
      2.800     0.900     0.900 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.11893E-02 ppm1      1.733 ppm2      4.064 CV     1
 ASSI { 2236}
   (  segid "A   " and resid 25   and name HD1%)
   (  segid "A   " and resid 30   and name HB% )
      2.500     0.800     0.800 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.60552E-02 ppm1      0.563 ppm2      1.642 CV     1
 ASSI { 2236}
   (  segid "B   " and resid 25   and name HD1%)
   (  segid "B   " and resid 30   and name HB% )
      2.500     0.800     0.800 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.60552E-02 ppm1      0.563 ppm2      1.642 CV     1
 ASSI { 2238}
   (( segid "A   " and resid 128  and name HG  ))
   (( segid "A   " and resid 58   and name HA  ))
      3.500     1.500     1.500 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.13221E-02 ppm1      1.161 ppm2      4.416 CV     1
 ASSI { 2238}
   (( segid "B   " and resid 128  and name HG  ))
   (( segid "B   " and resid 58   and name HA  ))
      3.500     1.500     1.500 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.13221E-02 ppm1      1.161 ppm2      4.416 CV     1
 ASSI { 2240}
   (( segid "A   " and resid 103  and name HG3 ))
   (( segid "A   " and resid 103  and name HD2 ))
      2.800     1.000     1.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.22811E-02 ppm1      1.886 ppm2      3.283 CV     1
 ASSI { 2240}
   (( segid "B   " and resid 103  and name HG3 ))
   (( segid "B   " and resid 103  and name HD2 ))
      2.800     1.000     1.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.22811E-02 ppm1      1.886 ppm2      3.283 CV     1
 ASSI { 2242}
   (  segid "A   " and resid 25   and name HD1%)
   (( segid "A   " and resid 25   and name HA  ))
      4.500     2.500     1.500 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.95536E-03 ppm1      0.563 ppm2      5.041 CV     1
 ASSI { 2242}
   (  segid "B   " and resid 25   and name HD1%)
   (( segid "B   " and resid 25   and name HA  ))
      4.500     2.500     1.500 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.95536E-03 ppm1      0.563 ppm2      5.041 CV     1
 ASSI { 2243}
   (  segid "A   " and resid 25   and name HD1%)
   (( segid "A   " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.11308E-02 ppm1      0.563 ppm2      9.066 CV     1
 ASSI { 2243}
   (  segid "B   " and resid 25   and name HD1%)
   (( segid "B   " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.11308E-02 ppm1      0.563 ppm2      9.066 CV     1
 ASSI { 2245}
   (  segid "A   " and resid 73   and name HD1%)
   (( segid "A   " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.18476E-02 ppm1      0.652 ppm2      4.064 CV     1
 ASSI { 2245}
   (  segid "B   " and resid 73   and name HD1%)
   (( segid "B   " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.18476E-02 ppm1      0.652 ppm2      4.064 CV     1
 ASSI { 2256}
   (( segid "A   " and resid 128  and name HG  ))
   (( segid "A   " and resid 58   and name HB3 ))
      4.300     2.300     1.700 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.92081E-03 ppm1      1.161 ppm2      2.775 CV     1
 ASSI { 2256}
   (( segid "B   " and resid 128  and name HG  ))
   (( segid "B   " and resid 58   and name HB3 ))
      4.300     2.300     1.700 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.92081E-03 ppm1      1.161 ppm2      2.775 CV     1
 ASSI { 2260}
   (( segid "A   " and resid 128  and name HG  ))
   (( segid "A   " and resid 128  and name HA  ))
      3.100     1.200     1.200 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.86974E-03 ppm1      1.174 ppm2      4.650 CV     1
 ASSI { 2260}
   (( segid "B   " and resid 128  and name HG  ))
   (( segid "B   " and resid 128  and name HA  ))
      3.100     1.200     1.200 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.86974E-03 ppm1      1.174 ppm2      4.650 CV     1
 ASSI { 2265}
   (  segid "A   " and resid 34   and name HD1%)
   (( segid "A   " and resid 42   and name HG  ))
      3.800     1.800     1.800 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.17018E-02 ppm1      0.932 ppm2      1.329 CV     1
 ASSI { 2265}
   (  segid "B   " and resid 34   and name HD1%)
   (( segid "B   " and resid 42   and name HG  ))
      3.800     1.800     1.800 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.17018E-02 ppm1      0.932 ppm2      1.329 CV     1
 ASSI { 2266}
   (  segid "A   " and resid 34   and name HD1%)
   (( segid "A   " and resid 34   and name HA  ))
      4.200     2.200     1.800 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.12478E-02 ppm1      0.932 ppm2      3.869 CV     1
 ASSI { 2266}
   (  segid "B   " and resid 34   and name HD1%)
   (( segid "B   " and resid 34   and name HA  ))
      4.200     2.200     1.800 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.12478E-02 ppm1      0.932 ppm2      3.869 CV     1
 ASSI { 2271}
   (  segid "A   " and resid 34   and name HD1%)
   (( segid "A   " and resid 34   and name HG  ))
      2.300     0.600     0.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.47498E-02 ppm1      0.932 ppm2      1.720 CV     1
 ASSI { 2271}
   (  segid "B   " and resid 34   and name HD1%)
   (( segid "B   " and resid 34   and name HG  ))
      2.300     0.600     0.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.47498E-02 ppm1      0.932 ppm2      1.720 CV     1
 ASSI { 2273}
   (  segid "A   " and resid 34   and name HD1%)
   (( segid "A   " and resid 34   and name HB3 ))
      2.700     0.900     0.900 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.37935E-02 ppm1      0.932 ppm2      1.876 CV     1
 ASSI { 2273}
   (  segid "B   " and resid 34   and name HD1%)
   (( segid "B   " and resid 34   and name HB3 ))
      2.700     0.900     0.900 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.37935E-02 ppm1      0.932 ppm2      1.876 CV     1
 ASSI { 2275}
   (( segid "A   " and resid 126  and name HG2 ))
   (( segid "A   " and resid 126  and name HG3 ))
      1.800     0.400     0.400 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.75900E-02 ppm1      1.949 ppm2      2.150 CV     1
 ASSI { 2275}
   (( segid "B   " and resid 126  and name HG2 ))
   (( segid "B   " and resid 126  and name HG3 ))
      1.800     0.400     0.400 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.75900E-02 ppm1      1.949 ppm2      2.150 CV     1
 ASSI { 2284}
   (( segid "A   " and resid 126  and name HG2 ))
   (( segid "A   " and resid 57   and name HA  ))
      3.500     1.600     1.600 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.15235E-02 ppm1      1.975 ppm2      4.025 CV     1
 ASSI { 2284}
   (( segid "B   " and resid 126  and name HG2 ))
   (( segid "B   " and resid 57   and name HA  ))
      3.500     1.600     1.600 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.15235E-02 ppm1      1.975 ppm2      4.025 CV     1
 ASSI { 2286}
   (( segid "A   " and resid 126  and name HG3 ))
   (( segid "A   " and resid 126  and name HD3 ))
      2.800     1.000     1.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      2.153 ppm2      3.283 CV     1
 ASSI { 2286}
   (( segid "B   " and resid 126  and name HG3 ))
   (( segid "B   " and resid 126  and name HD3 ))
      2.800     1.000     1.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.11698E-02 ppm1      2.153 ppm2      3.283 CV     1
 ASSI { 2291}
   (( segid "A   " and resid 126  and name HG2 ))
   (( segid "A   " and resid 57   and name HB3 ))
      3.600     1.600     1.600 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.12840E-02 ppm1      1.975 ppm2      0.743 CV     1
 ASSI { 2291}
   (( segid "B   " and resid 126  and name HG2 ))
   (( segid "B   " and resid 57   and name HB3 ))
      3.600     1.600     1.600 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.12840E-02 ppm1      1.975 ppm2      0.743 CV     1
 ASSI { 2294}
   (( segid "A   " and resid 126  and name HG2 ))
   (( segid "A   " and resid 126  and name HD3 ))
      3.500     1.600     1.600 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.12459E-02 ppm1      1.949 ppm2      3.283 CV     1
 ASSI { 2294}
   (( segid "B   " and resid 126  and name HG2 ))
   (( segid "B   " and resid 126  and name HD3 ))
      3.500     1.600     1.600 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.12459E-02 ppm1      1.949 ppm2      3.283 CV     1
 ASSI { 2297}
   (( segid "A   " and resid 48   and name HG2 ))
   (( segid "A   " and resid 48   and name HG3 ))
      2.200     0.600     0.600 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.39310E-02 ppm1      2.217 ppm2      2.579 CV     1
 OR { 2297}
   (( segid "A   " and resid 48   and name HG2 ))
   (( segid "A   " and resid 48   and name HB3 ))
 ASSI { 2297}
   (( segid "B   " and resid 48   and name HG2 ))
   (( segid "B   " and resid 48   and name HG3 ))
      2.200     0.600     0.600 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.39310E-02 ppm1      2.217 ppm2      2.579 CV     1
 OR { 2297}
   (( segid "B   " and resid 48   and name HG2 ))
   (( segid "B   " and resid 48   and name HB3 ))
 ASSI { 2301}
   (( segid "A   " and resid 48   and name HG3 ))
   (( segid "A   " and resid 48   and name HD2 ))
      3.400     1.500     1.500 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.92219E-03 ppm1      2.534 ppm2      3.752 CV     1
 ASSI { 2301}
   (( segid "B   " and resid 48   and name HG3 ))
   (( segid "B   " and resid 48   and name HD2 ))
      3.400     1.500     1.500 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.92219E-03 ppm1      2.534 ppm2      3.752 CV     1
 ASSI { 2304}
   (( segid "A   " and resid 48   and name HG3 ))
   (( segid "A   " and resid 48   and name HG2 ))
      2.200     0.600     0.600 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.36321E-02 ppm1      2.534 ppm2      2.228 CV     1
 ASSI { 2304}
   (( segid "B   " and resid 48   and name HG3 ))
   (( segid "B   " and resid 48   and name HG2 ))
      2.200     0.600     0.600 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.36321E-02 ppm1      2.534 ppm2      2.228 CV     1
 ASSI { 2313}
   (( segid "A   " and resid 104  and name HB3 ))
   (( segid "A   " and resid 104  and name HA  ))
      2.900     1.100     1.100 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.18912E-02 ppm1      2.674 ppm2      4.142 CV     1
 ASSI { 2313}
   (( segid "B   " and resid 104  and name HB3 ))
   (( segid "B   " and resid 104  and name HA  ))
      2.900     1.100     1.100 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.18912E-02 ppm1      2.674 ppm2      4.142 CV     1
 ASSI { 2316}
   (( segid "A   " and resid 48   and name HG2 ))
   (( segid "A   " and resid 48   and name HA  ))
      3.900     1.900     1.900 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.12218E-02 ppm1      2.255 ppm2      4.142 CV     1
 ASSI { 2316}
   (( segid "B   " and resid 48   and name HG2 ))
   (( segid "B   " and resid 48   and name HA  ))
      3.900     1.900     1.900 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.12218E-02 ppm1      2.255 ppm2      4.142 CV     1
 ASSI { 2317}
   (( segid "A   " and resid 104  and name HB3 ))
   (( segid "A   " and resid 104  and name HG2 ))
      3.400     1.400     1.400 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.17612E-02 ppm1      2.674 ppm2      2.306 CV     1
 ASSI { 2317}
   (( segid "B   " and resid 104  and name HB3 ))
   (( segid "B   " and resid 104  and name HG2 ))
      3.400     1.400     1.400 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.17612E-02 ppm1      2.674 ppm2      2.306 CV     1
 ASSI { 2318}
   (( segid "A   " and resid 48   and name HG3 ))
   (( segid "A   " and resid 48   and name HA  ))
      4.100     2.100     1.900 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.12515E-02 ppm1      2.534 ppm2      4.103 CV     1
 ASSI { 2319}
   (( segid "A   " and resid 63   and name HD2 ))
   (  segid "A   " and resid 79   and name HD2%)
      3.400     1.500     1.500 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.26107E-02 ppm1      1.479 ppm2      0.860 CV     1
 ASSI { 2319}
   (( segid "B   " and resid 63   and name HD2 ))
   (  segid "B   " and resid 79   and name HD2%)
      3.400     1.500     1.500 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.26107E-02 ppm1      1.479 ppm2      0.860 CV     1
 ASSI { 2324}
   (( segid "A   " and resid 63   and name HD2 ))
   (( segid "A   " and resid 63   and name HE2 ))
      2.100     0.500     0.500 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.59299E-02 ppm1      1.479 ppm2      3.009 CV     1
 OR { 2324}
   (( segid "A   " and resid 63   and name HD2 ))
   (( segid "A   " and resid 63   and name HE3 ))
 ASSI { 2324}
   (( segid "B   " and resid 63   and name HD2 ))
   (( segid "B   " and resid 63   and name HE2 ))
      2.100     0.500     0.500 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.59299E-02 ppm1      1.479 ppm2      3.009 CV     1
 OR { 2324}
   (( segid "B   " and resid 63   and name HD2 ))
   (( segid "B   " and resid 63   and name HE3 ))
 ASSI { 2327}
   (( segid "A   " and resid 104  and name HB2 ))
   (( segid "A   " and resid 104  and name HB3 ))
      2.100     0.500     0.500 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.38753E-02 ppm1      2.089 ppm2      2.697 CV     1
 ASSI { 2327}
   (( segid "B   " and resid 104  and name HB2 ))
   (( segid "B   " and resid 104  and name HB3 ))
      2.100     0.500     0.500 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.38753E-02 ppm1      2.089 ppm2      2.697 CV     1
 ASSI { 2332}
   (( segid "A   " and resid 63   and name HD2 ))
   (( segid "A   " and resid 63   and name HA  ))
      3.900     1.900     1.900 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.14326E-02 ppm1      1.479 ppm2      4.260 CV     1
 ASSI { 2332}
   (( segid "B   " and resid 63   and name HD2 ))
   (( segid "B   " and resid 63   and name HA  ))
      3.900     1.900     1.900 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.14326E-02 ppm1      1.479 ppm2      4.260 CV     1
 ASSI { 2335}
   (( segid "A   " and resid 56   and name HD2 ))
   (  segid "A   " and resid 128  and name HD1%)
      2.800     1.000     1.000 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.16888E-02 ppm1      1.059 ppm2      0.665 CV     1
 ASSI { 2335}
   (( segid "B   " and resid 56   and name HD2 ))
   (  segid "B   " and resid 128  and name HD1%)
      2.800     1.000     1.000 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.16888E-02 ppm1      1.059 ppm2      0.665 CV     1
 ASSI { 2336}
   (( segid "A   " and resid 60   and name HD3 ))
   (  segid "A   " and resid 59   and name HG1%)
      3.700     1.700     1.700 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.18931E-02 ppm1      1.670 ppm2      1.016 CV     1
 OR { 2336}
   (( segid "A   " and resid 60   and name HD2 ))
   (  segid "A   " and resid 59   and name HG1%)
 ASSI { 2336}
   (( segid "B   " and resid 60   and name HD3 ))
   (  segid "B   " and resid 59   and name HG1%)
      3.700     1.700     1.700 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.18931E-02 ppm1      1.670 ppm2      1.016 CV     1
 OR { 2336}
   (( segid "B   " and resid 60   and name HD2 ))
   (  segid "B   " and resid 59   and name HG1%)
 ASSI { 2340}
   (( segid "A   " and resid 56   and name HD3 ))
   (  segid "A   " and resid 128  and name HD1%)
      3.200     1.300     1.300 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.14985E-02 ppm1      1.161 ppm2      0.665 CV     1
 ASSI { 2340}
   (( segid "B   " and resid 56   and name HD3 ))
   (  segid "B   " and resid 128  and name HD1%)
      3.200     1.300     1.300 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.14985E-02 ppm1      1.161 ppm2      0.665 CV     1
 ASSI { 2342}
   (( segid "A   " and resid 28   and name HD2 ))
   (  segid "A   " and resid 125  and name HD2%)
      3.200     1.300     1.300 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.12599E-02 ppm1      1.593 ppm2      0.118 CV     1
 OR { 2342}
   (( segid "A   " and resid 28   and name HD3 ))
   (  segid "A   " and resid 125  and name HD2%)
 ASSI { 2342}
   (( segid "B   " and resid 28   and name HD2 ))
   (  segid "B   " and resid 125  and name HD2%)
      3.200     1.300     1.300 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.12599E-02 ppm1      1.593 ppm2      0.118 CV     1
 OR { 2342}
   (( segid "B   " and resid 28   and name HD3 ))
   (  segid "B   " and resid 125  and name HD2%)
 ASSI { 2345}
   (( segid "A   " and resid 56   and name HD3 ))
   (( segid "A   " and resid 56   and name HE3 ))
      2.800     1.000     1.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.15607E-02 ppm1      1.161 ppm2      2.618 CV     1
 ASSI { 2345}
   (( segid "B   " and resid 56   and name HD3 ))
   (( segid "B   " and resid 56   and name HE3 ))
      2.800     1.000     1.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.15607E-02 ppm1      1.161 ppm2      2.618 CV     1
 ASSI { 2348}
   (( segid "A   " and resid 103  and name HB2 ))
   (( segid "A   " and resid 103  and name HD2 ))
      3.600     1.600     1.600 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.12469E-02 ppm1      1.975 ppm2      3.283 CV     1
 ASSI { 2348}
   (( segid "B   " and resid 103  and name HB2 ))
   (( segid "B   " and resid 103  and name HD2 ))
      3.600     1.600     1.600 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.12469E-02 ppm1      1.975 ppm2      3.283 CV     1
 ASSI { 2352}
   (( segid "A   " and resid 56   and name HD2 ))
   (( segid "A   " and resid 56   and name HE3 ))
      2.600     0.800     0.800 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.14966E-02 ppm1      1.059 ppm2      2.618 CV     1
 ASSI { 2352}
   (( segid "B   " and resid 56   and name HD2 ))
   (( segid "B   " and resid 56   and name HE3 ))
      2.600     0.800     0.800 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.14966E-02 ppm1      1.059 ppm2      2.618 CV     1
 ASSI { 2356}
   (( segid "A   " and resid 103  and name HB3 ))
   (( segid "A   " and resid 103  and name HD2 ))
      3.800     1.800     1.800 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.10677E-02 ppm1      2.089 ppm2      3.283 CV     1
 ASSI { 2356}
   (( segid "B   " and resid 103  and name HB3 ))
   (( segid "B   " and resid 103  and name HD2 ))
      3.800     1.800     1.800 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.10677E-02 ppm1      2.089 ppm2      3.283 CV     1
 ASSI { 2359}
   (( segid "A   " and resid 56   and name HD2 ))
   (( segid "A   " and resid 56   and name HE2 ))
      2.800     1.000     1.000 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.17668E-02 ppm1      1.059 ppm2      2.423 CV     1
 ASSI { 2359}
   (( segid "B   " and resid 56   and name HD2 ))
   (( segid "B   " and resid 56   and name HE2 ))
      2.800     1.000     1.000 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.17668E-02 ppm1      1.059 ppm2      2.423 CV     1
 ASSI { 2362}
   (( segid "A   " and resid 56   and name HD3 ))
   (( segid "A   " and resid 56   and name HE2 ))
      3.200     1.300     1.300 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.14437E-02 ppm1      1.186 ppm2      2.423 CV     1
 ASSI { 2362}
   (( segid "B   " and resid 56   and name HD3 ))
   (( segid "B   " and resid 56   and name HE2 ))
      3.200     1.300     1.300 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.14437E-02 ppm1      1.186 ppm2      2.423 CV     1
 ASSI { 2363}
   (( segid "A   " and resid 56   and name HD2 ))
   (( segid "A   " and resid 56   and name HD3 ))
      1.400     0.300     0.800 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.18373E-01 ppm1      1.059 ppm2      1.173 CV     1
 OR { 2363}
   (( segid "A   " and resid 56   and name HD2 ))
   (( segid "A   " and resid 56   and name HB2 ))
 ASSI { 2363}
   (( segid "B   " and resid 56   and name HD2 ))
   (( segid "B   " and resid 56   and name HD3 ))
      1.400     0.300     0.800 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.18373E-01 ppm1      1.059 ppm2      1.173 CV     1
 OR { 2363}
   (( segid "B   " and resid 56   and name HD2 ))
   (( segid "B   " and resid 56   and name HB2 ))
 ASSI { 2367}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 6    and name HG3 ))
      4.100     2.100     1.900 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.14010E-02 ppm1      2.077 ppm2      1.446 CV     1
 OR { 2367}
   (( segid "A   " and resid 5    and name HB2 ))
   (( segid "A   " and resid 6    and name HG3 ))
 ASSI { 2367}
   (( segid "B   " and resid 5    and name HB3 ))
   (( segid "B   " and resid 6    and name HG3 ))
      4.100     2.100     1.900 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.14010E-02 ppm1      2.077 ppm2      1.446 CV     1
 OR { 2367}
   (( segid "B   " and resid 5    and name HB2 ))
   (( segid "B   " and resid 6    and name HG3 ))
 ASSI { 2371}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 5    and name HG2 ))
      2.200     0.600     0.600 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.16285E-01 ppm1      2.064 ppm2      2.306 CV     1
 OR { 2371}
   (( segid "A   " and resid 5    and name HB2 ))
   (( segid "A   " and resid 5    and name HG2 ))
 ASSI { 2371}
   (( segid "B   " and resid 5    and name HB3 ))
   (( segid "B   " and resid 5    and name HG2 ))
      2.200     0.600     0.600 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.16285E-01 ppm1      2.064 ppm2      2.306 CV     1
 OR { 2371}
   (( segid "B   " and resid 5    and name HB2 ))
   (( segid "B   " and resid 5    and name HG2 ))
 ASSI { 2376}
   (( segid "A   " and resid 56   and name HD3 ))
   (  segid "A   " and resid 51   and name HD2%)
      3.800     1.800     1.800 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.14567E-02 ppm1      1.161 ppm2      0.235 CV     1
 ASSI { 2376}
   (( segid "B   " and resid 56   and name HD3 ))
   (  segid "B   " and resid 51   and name HD2%)
      3.800     1.800     1.800 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.14567E-02 ppm1      1.161 ppm2      0.235 CV     1
 ASSI { 2380}
   (( segid "A   " and resid 82   and name HB2 ))
   (( segid "A   " and resid 82   and name HA  ))
      3.200     1.200     1.200 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.28176E-02 ppm1      1.924 ppm2      4.142 CV     1
 ASSI { 2380}
   (( segid "B   " and resid 82   and name HB2 ))
   (( segid "B   " and resid 82   and name HA  ))
      3.200     1.200     1.200 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.28176E-02 ppm1      1.924 ppm2      4.142 CV     1
 ASSI { 2391}
   (( segid "A   " and resid 35   and name HB2 ))
   (( segid "A   " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.39765E-02 ppm1      1.873 ppm2      3.869 CV     1
 ASSI { 2391}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.39765E-02 ppm1      1.873 ppm2      3.869 CV     1
 ASSI { 2411}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 27   and name HG3 ))
      2.600     0.900     0.900 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.14725E-02 ppm1      2.624 ppm2      2.228 CV     1
 ASSI { 2411}
   (( segid "B   " and resid 27   and name HB3 ))
   (( segid "B   " and resid 27   and name HG3 ))
      2.600     0.900     0.900 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.14725E-02 ppm1      2.624 ppm2      2.228 CV     1
 ASSI { 2414}
   (( segid "A   " and resid 81   and name HB2 ))
   (( segid "A   " and resid 81   and name HB3 ))
      2.600     0.800     0.800 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.13508E-02 ppm1      0.906 ppm2      1.720 CV     1
 ASSI { 2414}
   (( segid "B   " and resid 81   and name HB2 ))
   (( segid "B   " and resid 81   and name HB3 ))
      2.600     0.800     0.800 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.13508E-02 ppm1      0.906 ppm2      1.720 CV     1
 ASSI { 2417}
   (( segid "A   " and resid 36   and name HB2 ))
   (( segid "A   " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.19237E-02 ppm1      1.949 ppm2      4.142 CV     1
 ASSI { 2417}
   (( segid "B   " and resid 36   and name HB2 ))
   (( segid "B   " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.19237E-02 ppm1      1.949 ppm2      4.142 CV     1
 ASSI { 2426}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 27   and name HB2 ))
      2.200     0.600     0.600 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.20908E-02 ppm1      2.649 ppm2      1.642 CV     1
 ASSI { 2426}
   (( segid "B   " and resid 27   and name HB3 ))
   (( segid "B   " and resid 27   and name HB2 ))
      2.200     0.600     0.600 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.20908E-02 ppm1      2.649 ppm2      1.642 CV     1
 ASSI { 2431}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 27   and name HG2 ))
      3.600     1.600     1.600 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.10231E-02 ppm1      2.624 ppm2      1.993 CV     1
 ASSI { 2431}
   (( segid "B   " and resid 27   and name HB3 ))
   (( segid "B   " and resid 27   and name HG2 ))
      3.600     1.600     1.600 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.10231E-02 ppm1      2.624 ppm2      1.993 CV     1
 ASSI { 2443}
   (( segid "A   " and resid 57   and name HB3 ))
   (( segid "A   " and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.23155E-02 ppm1      0.779 ppm2      0.235 CV     1
 ASSI { 2443}
   (( segid "B   " and resid 57   and name HB3 ))
   (( segid "B   " and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.23155E-02 ppm1      0.779 ppm2      0.235 CV     1
 ASSI { 2446}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "A   " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.46272E-02 ppm1      1.695 ppm2      4.416 CV     1
 OR { 2446}
   (( segid "A   " and resid 3    and name HB3 ))
   (( segid "A   " and resid 3    and name HA  ))
 ASSI { 2446}
   (( segid "B   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.46272E-02 ppm1      1.695 ppm2      4.416 CV     1
 OR { 2446}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 3    and name HA  ))
 ASSI { 2447}
   (( segid "A   " and resid 3    and name HB3 ))
   (( segid "A   " and resid 3    and name HG2 ))
      2.200     0.600     0.600 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.74023E-02 ppm1      1.695 ppm2      2.345 CV     1
 OR { 2447}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "A   " and resid 3    and name HG2 ))
 OR { 2447}
   (( segid "A   " and resid 3    and name HB3 ))
   (( segid "A   " and resid 3    and name HG3 ))
 OR { 2447}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "A   " and resid 3    and name HG3 ))
 ASSI { 2447}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 3    and name HG2 ))
      2.200     0.600     0.600 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.74023E-02 ppm1      1.695 ppm2      2.345 CV     1
 OR { 2447}
   (( segid "B   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 3    and name HG2 ))
 OR { 2447}
   (( segid "B   " and resid 3    and name HB3 ))
   (( segid "B   " and resid 3    and name HG3 ))
 OR { 2447}
   (( segid "B   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 3    and name HG3 ))
 ASSI { 2451}
   (( segid "A   " and resid 48   and name HB2 ))
   (( segid "A   " and resid 48   and name HA  ))
      3.200     1.300     1.300 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.17510E-02 ppm1      2.140 ppm2      4.103 CV     1
 ASSI { 2451}
   (( segid "B   " and resid 48   and name HB2 ))
   (( segid "B   " and resid 48   and name HA  ))
      3.200     1.300     1.300 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.17510E-02 ppm1      2.140 ppm2      4.103 CV     1
 ASSI { 2452}
   (( segid "A   " and resid 48   and name HB2 ))
   (( segid "A   " and resid 48   and name HB3 ))
      2.300     0.600     0.600 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.39143E-02 ppm1      2.127 ppm2      2.579 CV     1
 OR { 2452}
   (( segid "A   " and resid 48   and name HB2 ))
   (( segid "A   " and resid 48   and name HG3 ))
 ASSI { 2452}
   (( segid "B   " and resid 48   and name HB2 ))
   (( segid "B   " and resid 48   and name HB3 ))
      2.300     0.600     0.600 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.39143E-02 ppm1      2.127 ppm2      2.579 CV     1
 OR { 2452}
   (( segid "B   " and resid 48   and name HB2 ))
   (( segid "B   " and resid 48   and name HG3 ))
 ASSI { 2458}
   (( segid "A   " and resid 28   and name HB3 ))
   (( segid "A   " and resid 28   and name HE3 ))
      3.100     1.200     1.200 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.13267E-02 ppm1      1.708 ppm2      2.931 CV     1
 OR { 2458}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 28   and name HE3 ))
 OR { 2458}
   (( segid "A   " and resid 28   and name HB3 ))
   (( segid "A   " and resid 28   and name HE2 ))
 ASSI { 2458}
   (( segid "B   " and resid 28   and name HB3 ))
   (( segid "B   " and resid 28   and name HE3 ))
      3.100     1.200     1.200 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.13267E-02 ppm1      1.708 ppm2      2.931 CV     1
 OR { 2458}
   (( segid "B   " and resid 28   and name HB2 ))
   (( segid "B   " and resid 28   and name HE3 ))
 OR { 2458}
   (( segid "B   " and resid 28   and name HB3 ))
   (( segid "B   " and resid 28   and name HE2 ))
 ASSI { 2461}
   (( segid "A   " and resid 28   and name HB3 ))
   (( segid "A   " and resid 28   and name HA  ))
      2.700     0.900     0.900 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.31269E-02 ppm1      1.720 ppm2      3.752 CV     1
 OR { 2461}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 28   and name HA  ))
 ASSI { 2461}
   (( segid "B   " and resid 28   and name HB3 ))
   (( segid "B   " and resid 28   and name HA  ))
      2.700     0.900     0.900 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.31269E-02 ppm1      1.720 ppm2      3.752 CV     1
 OR { 2461}
   (( segid "B   " and resid 28   and name HB2 ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI { 2464}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 28   and name HG2 ))
      2.700     0.900     0.900 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.36478E-02 ppm1      1.708 ppm2      1.251 CV     1
 OR { 2464}
   (( segid "A   " and resid 28   and name HB3 ))
   (( segid "A   " and resid 28   and name HG2 ))
 ASSI { 2464}
   (( segid "B   " and resid 28   and name HB2 ))
   (( segid "B   " and resid 28   and name HG2 ))
      2.700     0.900     0.900 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.36478E-02 ppm1      1.708 ppm2      1.251 CV     1
 OR { 2464}
   (( segid "B   " and resid 28   and name HB3 ))
   (( segid "B   " and resid 28   and name HG2 ))
 ASSI { 2465}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name HB3 ))
      1.900     0.400     0.400 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.10658E-01 ppm1      1.975 ppm2      2.345 CV     1
 ASSI { 2465}
   (( segid "B   " and resid 38   and name HB2 ))
   (( segid "B   " and resid 38   and name HB3 ))
      1.900     0.400     0.400 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.10658E-01 ppm1      1.975 ppm2      2.345 CV     1
 ASSI { 2467}
   (( segid "A   " and resid 15   and name HB  ))
   (( segid "A   " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.18336E-02 ppm1      1.720 ppm2      3.439 CV     1
 ASSI { 2467}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.18336E-02 ppm1      1.720 ppm2      3.439 CV     1
 ASSI { 2468}
   (( segid "A   " and resid 76   and name HB3 ))
   (( segid "A   " and resid 76   and name HG3 ))
      2.400     0.700     0.700 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.39189E-02 ppm1      2.115 ppm2      1.446 CV     1
 ASSI { 2468}
   (( segid "B   " and resid 76   and name HB3 ))
   (( segid "B   " and resid 76   and name HG3 ))
      2.400     0.700     0.700 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.39189E-02 ppm1      2.115 ppm2      1.446 CV     1
 ASSI { 2469}
   (( segid "A   " and resid 3    and name HG2 ))
   (( segid "B   " and resid 81   and name HD2 ))
      4.500     2.500     1.500 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.66531E-03 ppm1      2.356 ppm2      3.712 CV     1
 OR { 2469}
   (( segid "A   " and resid 3    and name HG3 ))
   (( segid "B   " and resid 81   and name HD2 ))
 ASSI { 2469}
   (( segid "B   " and resid 3    and name HG2 ))
   (( segid "A   " and resid 81   and name HD2 ))
      4.500     2.500     1.500 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.66531E-03 ppm1      2.356 ppm2      3.712 CV     1
 OR { 2469}
   (( segid "B   " and resid 3    and name HG3 ))
   (( segid "A   " and resid 81   and name HD2 ))
 ASSI { 2471}
   (( segid "A   " and resid 23   and name HB  ))
   (  segid "A   " and resid 111  and name HE% )
      3.900     1.900     1.900 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.69382E-03 ppm1      2.038 ppm2      6.721 CV     1
 ASSI { 2471}
   (( segid "B   " and resid 23   and name HB  ))
   (  segid "B   " and resid 111  and name HE% )
      3.900     1.900     1.900 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.69382E-03 ppm1      2.038 ppm2      6.721 CV     1
 ASSI { 2479}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name HD3 ))
      4.000     2.000     2.000 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.15421E-02 ppm1      1.975 ppm2      3.830 CV     1
 ASSI { 2479}
   (( segid "B   " and resid 38   and name HB2 ))
   (( segid "B   " and resid 38   and name HD3 ))
      4.000     2.000     2.000 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.15421E-02 ppm1      1.975 ppm2      3.830 CV     1
 ASSI { 2480}
   (( segid "A   " and resid 3    and name HG2 ))
   (( segid "B   " and resid 81   and name HD3 ))
      3.800     1.800     1.800 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.97577E-03 ppm1      2.382 ppm2      4.103 CV     1
 OR { 2480}
   (( segid "A   " and resid 3    and name HG3 ))
   (( segid "B   " and resid 81   and name HD3 ))
 ASSI { 2480}
   (( segid "B   " and resid 3    and name HG2 ))
   (( segid "A   " and resid 81   and name HD3 ))
      3.800     1.800     1.800 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.97577E-03 ppm1      2.382 ppm2      4.103 CV     1
 OR { 2480}
   (( segid "B   " and resid 3    and name HG3 ))
   (( segid "A   " and resid 81   and name HD3 ))
 ASSI { 2482}
   (( segid "A   " and resid 38   and name HB2 ))
   (( segid "A   " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.37751E-02 ppm1      1.988 ppm2      4.650 CV     1
 ASSI { 2497}
   (( segid "A   " and resid 54   and name HG3 ))
   (( segid "A   " and resid 54   and name HA  ))
      3.800     1.800     1.800 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.14623E-02 ppm1      2.776 ppm2      4.689 CV     1
 ASSI { 2497}
   (( segid "B   " and resid 54   and name HG3 ))
   (( segid "B   " and resid 54   and name HA  ))
      3.800     1.800     1.800 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.14623E-02 ppm1      2.776 ppm2      4.689 CV     1
 ASSI { 2506}
   (( segid "A   " and resid 54   and name HG3 ))
   (( segid "A   " and resid 54   and name HG2 ))
      2.000     0.500     0.500 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.65629E-02 ppm1      2.789 ppm2      2.540 CV     1
 ASSI { 2506}
   (( segid "B   " and resid 54   and name HG3 ))
   (( segid "B   " and resid 54   and name HG2 ))
      2.000     0.500     0.500 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.65629E-02 ppm1      2.789 ppm2      2.540 CV     1
 ASSI { 2510}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.11067E-01 ppm1      1.810 ppm2      4.064 CV     1
 OR { 2510}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 60   and name HA  ))
 ASSI { 2510}
   (( segid "B   " and resid 60   and name HB3 ))
   (( segid "B   " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.11067E-01 ppm1      1.810 ppm2      4.064 CV     1
 OR { 2510}
   (( segid "B   " and resid 60   and name HB2 ))
   (( segid "B   " and resid 60   and name HA  ))
 ASSI { 2511}
   (( segid "A   " and resid 119  and name HB2 ))
   (( segid "A   " and resid 122  and name HN  ))
      4.300     2.300     1.700 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.82119E-03 ppm1      1.810 ppm2      7.815 CV     1
 ASSI { 2511}
   (( segid "B   " and resid 119  and name HB2 ))
   (( segid "B   " and resid 122  and name HN  ))
      4.300     2.300     1.700 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.82119E-03 ppm1      1.810 ppm2      7.815 CV     1
 ASSI { 2512}
   (( segid "A   " and resid 87   and name HB  ))
   (( segid "A   " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.14651E-02 ppm1      1.835 ppm2      4.924 CV     1
 ASSI { 2512}
   (( segid "B   " and resid 87   and name HB  ))
   (( segid "B   " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.14651E-02 ppm1      1.835 ppm2      4.924 CV     1
 ASSI { 2515}
   (( segid "A   " and resid 54   and name HG3 ))
   (( segid "A   " and resid 54   and name HB2 ))
      2.700     0.900     0.900 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.17538E-02 ppm1      2.789 ppm2      1.954 CV     1
 ASSI { 2515}
   (( segid "B   " and resid 54   and name HG3 ))
   (( segid "B   " and resid 54   and name HB2 ))
      2.700     0.900     0.900 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.17538E-02 ppm1      2.789 ppm2      1.954 CV     1
 ASSI { 2530}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 56   and name HG2 ))
      2.900     1.000     1.000 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.14790E-02 ppm1      1.199 ppm2      0.938 CV     1
 ASSI { 2530}
   (( segid "B   " and resid 56   and name HB2 ))
   (( segid "B   " and resid 56   and name HG2 ))
      2.900     1.000     1.000 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.14790E-02 ppm1      1.199 ppm2      0.938 CV     1
 ASSI { 2531}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 56   and name HA  ))
      3.600     1.600     1.600 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.64571E-03 ppm1      1.186 ppm2      4.494 CV     1
 ASSI { 2531}
   (( segid "B   " and resid 56   and name HB2 ))
   (( segid "B   " and resid 56   and name HA  ))
      3.600     1.600     1.600 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.64571E-03 ppm1      1.186 ppm2      4.494 CV     1
 ASSI { 2533}
   (( segid "A   " and resid 14   and name HG3 ))
   (( segid "A   " and resid 14   and name HG2 ))
      1.800     0.400     0.400 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.68778E-02 ppm1      2.852 ppm2      2.306 CV     1
 ASSI { 2533}
   (( segid "B   " and resid 14   and name HG3 ))
   (( segid "B   " and resid 14   and name HG2 ))
      1.800     0.400     0.400 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.68778E-02 ppm1      2.852 ppm2      2.306 CV     1
 ASSI { 2534}
   (( segid "A   " and resid 14   and name HG3 ))
   (( segid "A   " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.16257E-02 ppm1      2.852 ppm2      1.993 CV     1
 ASSI { 2534}
   (( segid "B   " and resid 14   and name HG3 ))
   (( segid "B   " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.16257E-02 ppm1      2.852 ppm2      1.993 CV     1
 ASSI { 2535}
   (( segid "A   " and resid 14   and name HG2 ))
   (( segid "A   " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.25578E-02 ppm1      2.293 ppm2      4.025 CV     1
 ASSI { 2535}
   (( segid "B   " and resid 14   and name HG2 ))
   (( segid "B   " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.25578E-02 ppm1      2.293 ppm2      4.025 CV     1
 ASSI { 2541}
   (( segid "A   " and resid 14   and name HG2 ))
   (( segid "A   " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.22013E-02 ppm1      2.293 ppm2      1.993 CV     1
 ASSI { 2541}
   (( segid "B   " and resid 14   and name HG2 ))
   (( segid "B   " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.22013E-02 ppm1      2.293 ppm2      1.993 CV     1
 ASSI { 2543}
   (( segid "A   " and resid 14   and name HG3 ))
   (( segid "A   " and resid 14   and name HB3 ))
      3.000     1.100     1.100 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.865 ppm2      2.462 CV     1
 ASSI { 2543}
   (( segid "B   " and resid 14   and name HG3 ))
   (( segid "B   " and resid 14   and name HB3 ))
      3.000     1.100     1.100 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.24742E-02 ppm1      2.865 ppm2      2.462 CV     1
 ASSI { 2550}
   (( segid "A   " and resid 108  and name HB2 ))
   (( segid "A   " and resid 108  and name HG3 ))
      2.100     0.500     0.500 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.72945E-02 ppm1      1.822 ppm2      1.602 CV     1
 OR { 2550}
   (( segid "A   " and resid 108  and name HB3 ))
   (( segid "A   " and resid 108  and name HG3 ))
 ASSI { 2550}
   (( segid "B   " and resid 108  and name HB2 ))
   (( segid "B   " and resid 108  and name HG3 ))
      2.100     0.500     0.500 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.72945E-02 ppm1      1.822 ppm2      1.602 CV     1
 OR { 2550}
   (( segid "B   " and resid 108  and name HB3 ))
   (( segid "B   " and resid 108  and name HG3 ))
 ASSI { 2551}
   (( segid "A   " and resid 108  and name HB3 ))
   (( segid "A   " and resid 108  and name HG2 ))
      2.600     0.800     0.800 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.39151E-02 ppm1      1.810 ppm2      1.407 CV     1
 OR { 2551}
   (( segid "A   " and resid 108  and name HB2 ))
   (( segid "A   " and resid 108  and name HG2 ))
 ASSI { 2551}
   (( segid "B   " and resid 108  and name HB3 ))
   (( segid "B   " and resid 108  and name HG2 ))
      2.600     0.800     0.800 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.39151E-02 ppm1      1.810 ppm2      1.407 CV     1
 OR { 2551}
   (( segid "B   " and resid 108  and name HB2 ))
   (( segid "B   " and resid 108  and name HG2 ))
 ASSI { 2581}
   (( segid "A   " and resid 63   and name HB2 ))
   (( segid "A   " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.17677E-02 ppm1      1.339 ppm2      4.260 CV     1
 ASSI { 2581}
   (( segid "B   " and resid 63   and name HB2 ))
   (( segid "B   " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.17677E-02 ppm1      1.339 ppm2      4.260 CV     1
 ASSI { 2582}
   (( segid "A   " and resid 63   and name HB3 ))
   (( segid "A   " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.16080E-02 ppm1      1.403 ppm2      4.260 CV     1
 ASSI { 2582}
   (( segid "B   " and resid 63   and name HB3 ))
   (( segid "B   " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.16080E-02 ppm1      1.403 ppm2      4.260 CV     1
 ASSI { 2593}
   (( segid "A   " and resid 63   and name HB2 ))
   (( segid "A   " and resid 63   and name HN  ))
      3.400     1.400     1.400 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.98690E-03 ppm1      1.326 ppm2      8.480 CV     1
 ASSI { 2593}
   (( segid "B   " and resid 63   and name HB2 ))
   (( segid "B   " and resid 63   and name HN  ))
      3.400     1.400     1.400 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.98690E-03 ppm1      1.326 ppm2      8.480 CV     1
 ASSI { 2600}
   (( segid "A   " and resid 61   and name HB3 ))
   (( segid "A   " and resid 41   and name HA  ))
      4.100     2.100     1.900 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.19488E-02 ppm1      3.170 ppm2      4.220 CV     1
 ASSI { 2600}
   (( segid "B   " and resid 61   and name HB3 ))
   (( segid "B   " and resid 41   and name HA  ))
      4.100     2.100     1.900 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.19488E-02 ppm1      3.170 ppm2      4.220 CV     1
 ASSI { 2602}
   (( segid "A   " and resid 61   and name HB2 ))
   (  segid "A   " and resid 41   and name HG2%)
      2.700     0.900     0.900 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.12673E-02 ppm1      2.751 ppm2      0.821 CV     1
 ASSI { 2602}
   (( segid "B   " and resid 61   and name HB2 ))
   (  segid "B   " and resid 41   and name HG2%)
      2.700     0.900     0.900 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.12673E-02 ppm1      2.751 ppm2      0.821 CV     1
 ASSI { 2603}
   (( segid "A   " and resid 61   and name HB3 ))
   (( segid "A   " and resid 61   and name HB2 ))
      1.700     0.400     0.500 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.11717E-01 ppm1      3.170 ppm2      2.775 CV     1
 ASSI { 2603}
   (( segid "B   " and resid 61   and name HB3 ))
   (( segid "B   " and resid 61   and name HB2 ))
      1.700     0.400     0.500 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.11717E-01 ppm1      3.170 ppm2      2.775 CV     1
 ASSI { 2605}
   (( segid "A   " and resid 61   and name HB3 ))
   (  segid "A   " and resid 41   and name HG2%)
      3.500     1.500     1.500 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.12970E-02 ppm1      3.170 ppm2      0.782 CV     1
 ASSI { 2605}
   (( segid "B   " and resid 61   and name HB3 ))
   (  segid "B   " and resid 41   and name HG2%)
      3.500     1.500     1.500 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.12970E-02 ppm1      3.170 ppm2      0.782 CV     1
 ASSI { 2606}
   (( segid "A   " and resid 61   and name HB3 ))
   (( segid "A   " and resid 42   and name HN  ))
      4.800     2.800     1.200 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.10296E-02 ppm1      3.183 ppm2      8.480 CV     1
 ASSI { 2606}
   (( segid "B   " and resid 61   and name HB3 ))
   (( segid "B   " and resid 42   and name HN  ))
      4.800     2.800     1.200 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.10296E-02 ppm1      3.183 ppm2      8.480 CV     1
 ASSI { 2607}
   (( segid "A   " and resid 61   and name HB2 ))
   (( segid "A   " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.92471E-03 ppm1      2.738 ppm2      8.480 CV     1
 ASSI { 2607}
   (( segid "B   " and resid 61   and name HB2 ))
   (( segid "B   " and resid 42   and name HN  ))
      3.900     1.900     1.900 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.92471E-03 ppm1      2.738 ppm2      8.480 CV     1
 ASSI { 2608}
   (( segid "A   " and resid 61   and name HB2 ))
   (( segid "A   " and resid 41   and name HA  ))
      2.600     0.900     0.900 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.19822E-02 ppm1      2.751 ppm2      4.220 CV     1
 ASSI { 2608}
   (( segid "B   " and resid 61   and name HB2 ))
   (( segid "B   " and resid 41   and name HA  ))
      2.600     0.900     0.900 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.19822E-02 ppm1      2.751 ppm2      4.220 CV     1
 ASSI { 2628}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 126  and name HB2 ))
      2.400     0.700     0.700 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.74153E-03 ppm1      2.776 ppm2      2.228 CV     1
 ASSI { 2628}
   (( segid "B   " and resid 58   and name HB3 ))
   (( segid "B   " and resid 126  and name HB2 ))
      2.400     0.700     0.700 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.74153E-03 ppm1      2.776 ppm2      2.228 CV     1
 ASSI { 2634}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 58   and name HB3 ))
      2.200     0.600     0.600 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.17426E-02 ppm1      1.746 ppm2      2.775 CV     1
 ASSI { 2634}
   (( segid "B   " and resid 58   and name HB2 ))
   (( segid "B   " and resid 58   and name HB3 ))
      2.200     0.600     0.600 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.17426E-02 ppm1      1.746 ppm2      2.775 CV     1
 ASSI { 2635}
   (( segid "A   " and resid 58   and name HB3 ))
   (  segid "A   " and resid 128  and name HD1%)
      4.400     2.400     1.600 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      2.776 ppm2      0.665 CV     1
 ASSI { 2635}
   (( segid "B   " and resid 58   and name HB3 ))
   (  segid "B   " and resid 128  and name HD1%)
      4.400     2.400     1.600 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      2.776 ppm2      0.665 CV     1
 ASSI { 2637}
   (( segid "A   " and resid 129  and name HB3 ))
   (( segid "A   " and resid 55   and name HA1 ))
      3.300     1.400     1.400 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      2.776 ppm2      3.752 CV     1
 ASSI { 2637}
   (( segid "B   " and resid 129  and name HB3 ))
   (( segid "B   " and resid 55   and name HA1 ))
      3.300     1.400     1.400 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      2.776 ppm2      3.752 CV     1
 ASSI { 2641}
   (( segid "A   " and resid 74   and name HB2 ))
   (  segid "A   " and resid 74   and name HD1%)
      3.200     1.200     1.200 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.71137E-03 ppm1      0.550 ppm2     -0.078 CV     1
 ASSI { 2641}
   (( segid "B   " and resid 74   and name HB2 ))
   (  segid "B   " and resid 74   and name HD1%)
      3.200     1.200     1.200 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.71137E-03 ppm1      0.550 ppm2     -0.078 CV     1
 ASSI { 2643}
   (( segid "A   " and resid 74   and name HB2 ))
   (  segid "A   " and resid 74   and name HD2%)
      3.300     1.300     1.300 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.78071E-03 ppm1      0.550 ppm2      0.157 CV     1
 ASSI { 2643}
   (( segid "B   " and resid 74   and name HB2 ))
   (  segid "B   " and resid 74   and name HD2%)
      3.300     1.300     1.300 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.78071E-03 ppm1      0.550 ppm2      0.157 CV     1
 ASSI { 2648}
   (( segid "A   " and resid 74   and name HB2 ))
   (( segid "A   " and resid 74   and name HB3 ))
      2.500     0.800     0.800 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.11410E-02 ppm1      0.525 ppm2      1.642 CV     1
 ASSI { 2648}
   (( segid "B   " and resid 74   and name HB2 ))
   (( segid "B   " and resid 74   and name HB3 ))
      2.500     0.800     0.800 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.11410E-02 ppm1      0.525 ppm2      1.642 CV     1
 ASSI { 2650}
   (( segid "A   " and resid 110  and name HB  ))
   (  segid "A   " and resid 110  and name HG2%)
      2.300     0.700     0.700 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.55844E-02 ppm1      1.631 ppm2      0.782 CV     1
 OR { 2650}
   (( segid "A   " and resid 110  and name HB  ))
   (  segid "A   " and resid 110  and name HD1%)
 ASSI { 2650}
   (( segid "B   " and resid 110  and name HB  ))
   (  segid "B   " and resid 110  and name HG2%)
      2.300     0.700     0.700 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.55844E-02 ppm1      1.631 ppm2      0.782 CV     1
 OR { 2650}
   (( segid "B   " and resid 110  and name HB  ))
   (  segid "B   " and resid 110  and name HD1%)
 ASSI { 2677}
   (( segid "A   " and resid 121  and name HB2 ))
   (( segid "A   " and resid 121  and name HA  ))
      3.500     1.500     1.500 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.89091E-03 ppm1      1.479 ppm2      4.260 CV     1
 ASSI { 2677}
   (( segid "B   " and resid 121  and name HB2 ))
   (( segid "B   " and resid 121  and name HA  ))
      3.500     1.500     1.500 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.89091E-03 ppm1      1.479 ppm2      4.260 CV     1
 ASSI { 2681}
   (( segid "A   " and resid 51   and name HB2 ))
   (  segid "A   " and resid 51   and name HD2%)
      3.200     1.300     1.300 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.12450E-02 ppm1      1.288 ppm2      0.235 CV     1
 ASSI { 2681}
   (( segid "B   " and resid 51   and name HB2 ))
   (  segid "B   " and resid 51   and name HD2%)
      3.200     1.300     1.300 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.12450E-02 ppm1      1.288 ppm2      0.235 CV     1
 ASSI { 2691}
   (( segid "A   " and resid 51   and name HB3 ))
   (( segid "A   " and resid 51   and name HB2 ))
      2.200     0.600     0.600 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.33925E-02 ppm1      1.479 ppm2      1.290 CV     1
 OR { 2691}
   (( segid "A   " and resid 51   and name HB3 ))
   (( segid "A   " and resid 51   and name HG  ))
 ASSI { 2691}
   (( segid "B   " and resid 51   and name HB3 ))
   (( segid "B   " and resid 51   and name HB2 ))
      2.200     0.600     0.600 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.33925E-02 ppm1      1.479 ppm2      1.290 CV     1
 OR { 2691}
   (( segid "B   " and resid 51   and name HB3 ))
   (( segid "B   " and resid 51   and name HG  ))
 ASSI { 2692}
   (( segid "A   " and resid 51   and name HB2 ))
   (( segid "A   " and resid 51   and name HB3 ))
      2.200     0.600     0.600 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.24278E-02 ppm1      1.288 ppm2      1.485 CV     1
 ASSI { 2692}
   (( segid "B   " and resid 51   and name HB2 ))
   (( segid "B   " and resid 51   and name HB3 ))
      2.200     0.600     0.600 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.24278E-02 ppm1      1.288 ppm2      1.485 CV     1
 ASSI { 2694}
   (( segid "A   " and resid 33   and name HB3 ))
   (( segid "A   " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.88190E-03 ppm1      1.759 ppm2      3.908 CV     1
 ASSI { 2694}
   (( segid "B   " and resid 33   and name HB3 ))
   (( segid "B   " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.88190E-03 ppm1      1.759 ppm2      3.908 CV     1
 ASSI { 2696}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.13360E-02 ppm1      1.415 ppm2      3.908 CV     1
 ASSI { 2696}
   (( segid "B   " and resid 33   and name HB2 ))
   (( segid "B   " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.13360E-02 ppm1      1.415 ppm2      3.908 CV     1
 ASSI { 2701}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 33   and name HB3 ))
      2.100     0.600     0.600 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.20982E-02 ppm1      1.441 ppm2      1.759 CV     1
 ASSI { 2701}
   (( segid "B   " and resid 33   and name HB2 ))
   (( segid "B   " and resid 33   and name HB3 ))
      2.100     0.600     0.600 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.20982E-02 ppm1      1.441 ppm2      1.759 CV     1
 ASSI { 2702}
   (( segid "A   " and resid 33   and name HB3 ))
   (  segid "A   " and resid 40   and name HD1%)
      4.300     2.300     1.700 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      1.720 ppm2      0.782 CV     1
 ASSI { 2702}
   (( segid "B   " and resid 33   and name HB3 ))
   (  segid "B   " and resid 40   and name HD1%)
      4.300     2.300     1.700 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      1.720 ppm2      0.782 CV     1
 ASSI { 2706}
   (( segid "A   " and resid 33   and name HB3 ))
   (  segid "A   " and resid 33   and name HD1%)
      4.200     2.200     1.800 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.83289E-03 ppm1      1.720 ppm2      0.587 CV     1
 ASSI { 2706}
   (( segid "B   " and resid 33   and name HB3 ))
   (  segid "B   " and resid 33   and name HD1%)
      4.200     2.200     1.800 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.83289E-03 ppm1      1.720 ppm2      0.587 CV     1
 ASSI { 2707}
   (( segid "A   " and resid 103  and name HD3 ))
   (( segid "A   " and resid 103  and name HG2 ))
      2.600     0.900     0.900 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.50656E-02 ppm1      3.361 ppm2      1.720 CV     1
 ASSI { 2707}
   (( segid "B   " and resid 103  and name HD3 ))
   (( segid "B   " and resid 103  and name HG2 ))
      2.600     0.900     0.900 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.50656E-02 ppm1      3.361 ppm2      1.720 CV     1
 ASSI { 2708}
   (( segid "A   " and resid 103  and name HD2 ))
   (( segid "A   " and resid 100  and name HA  ))
      3.100     1.200     1.200 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.91014E-03 ppm1      3.285 ppm2      4.103 CV     1
 ASSI { 2708}
   (( segid "B   " and resid 103  and name HD2 ))
   (( segid "B   " and resid 100  and name HA  ))
      3.100     1.200     1.200 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.91014E-03 ppm1      3.285 ppm2      4.103 CV     1
 ASSI { 2710}
   (( segid "A   " and resid 103  and name HD3 ))
   (( segid "A   " and resid 103  and name HG3 ))
      2.100     0.500     0.500 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.53569E-02 ppm1      3.361 ppm2      1.915 CV     1
 ASSI { 2710}
   (( segid "B   " and resid 103  and name HD3 ))
   (( segid "B   " and resid 103  and name HG3 ))
      2.100     0.500     0.500 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.53569E-02 ppm1      3.361 ppm2      1.915 CV     1
 ASSI { 2711}
   (( segid "A   " and resid 103  and name HD2 ))
   (( segid "A   " and resid 103  and name HG2 ))
      2.100     0.500     0.500 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.54609E-02 ppm1      3.272 ppm2      1.720 CV     1
 ASSI { 2711}
   (( segid "B   " and resid 103  and name HD2 ))
   (( segid "B   " and resid 103  and name HG2 ))
      2.100     0.500     0.500 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.54609E-02 ppm1      3.272 ppm2      1.720 CV     1
 ASSI { 2712}
   (( segid "A   " and resid 103  and name HD3 ))
   (( segid "A   " and resid 103  and name HD2 ))
      1.300     0.200     0.900 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.52510E-01 ppm1      3.348 ppm2      3.283 CV     1
 ASSI { 2712}
   (( segid "B   " and resid 103  and name HD3 ))
   (( segid "B   " and resid 103  and name HD2 ))
      1.300     0.200     0.900 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.52510E-01 ppm1      3.348 ppm2      3.283 CV     1
 ASSI { 2716}
   (( segid "A   " and resid 103  and name HD3 ))
   (( segid "A   " and resid 103  and name HA  ))
      3.800     1.800     1.800 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.15755E-02 ppm1      3.361 ppm2      4.572 CV     1
 ASSI { 2716}
   (( segid "B   " and resid 103  and name HD3 ))
   (( segid "B   " and resid 103  and name HA  ))
      3.800     1.800     1.800 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.15755E-02 ppm1      3.361 ppm2      4.572 CV     1
 ASSI { 2717}
   (( segid "A   " and resid 103  and name HD3 ))
   (( segid "A   " and resid 100  and name HA  ))
      3.900     1.900     1.900 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.81607E-03 ppm1      3.361 ppm2      4.064 CV     1
 ASSI { 2717}
   (( segid "B   " and resid 103  and name HD3 ))
   (( segid "B   " and resid 100  and name HA  ))
      3.900     1.900     1.900 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.81607E-03 ppm1      3.361 ppm2      4.064 CV     1
 ASSI { 2722}
   (( segid "A   " and resid 103  and name HD3 ))
   (( segid "A   " and resid 103  and name HB3 ))
      3.200     1.300     1.300 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.31547E-02 ppm1      3.361 ppm2      2.110 CV     1
 ASSI { 2722}
   (( segid "B   " and resid 103  and name HD3 ))
   (( segid "B   " and resid 103  and name HB3 ))
      3.200     1.300     1.300 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.31547E-02 ppm1      3.361 ppm2      2.110 CV     1
 ASSI { 2723}
   (( segid "A   " and resid 103  and name HD3 ))
   (  segid "A   " and resid 110  and name HD1%)
      3.900     1.900     1.900 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.19701E-02 ppm1      3.361 ppm2      0.743 CV     1
 ASSI { 2723}
   (( segid "B   " and resid 103  and name HD3 ))
   (  segid "B   " and resid 110  and name HD1%)
      3.900     1.900     1.900 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.19701E-02 ppm1      3.361 ppm2      0.743 CV     1
 ASSI { 2727}
   (( segid "A   " and resid 130  and name HD3 ))
   (( segid "A   " and resid 130  and name HG2 ))
      2.300     0.700     0.700 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.89909E-02 ppm1      3.132 ppm2      1.446 CV     1
 OR { 2727}
   (( segid "A   " and resid 130  and name HD3 ))
   (( segid "A   " and resid 130  and name HG3 ))
 ASSI { 2727}
   (( segid "B   " and resid 130  and name HD3 ))
   (( segid "B   " and resid 130  and name HG2 ))
      2.300     0.700     0.700 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.89909E-02 ppm1      3.132 ppm2      1.446 CV     1
 OR { 2727}
   (( segid "B   " and resid 130  and name HD3 ))
   (( segid "B   " and resid 130  and name HG3 ))
 ASSI { 2729}
   (( segid "A   " and resid 130  and name HD2 ))
   (( segid "A   " and resid 130  and name HG3 ))
      2.200     0.600     0.600 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.88488E-02 ppm1      3.043 ppm2      1.446 CV     1
 OR { 2729}
   (( segid "A   " and resid 130  and name HD2 ))
   (( segid "A   " and resid 130  and name HG2 ))
 ASSI { 2729}
   (( segid "B   " and resid 130  and name HD2 ))
   (( segid "B   " and resid 130  and name HG3 ))
      2.200     0.600     0.600 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.88488E-02 ppm1      3.043 ppm2      1.446 CV     1
 OR { 2729}
   (( segid "B   " and resid 130  and name HD2 ))
   (( segid "B   " and resid 130  and name HG2 ))
 ASSI { 2732}
   (( segid "A   " and resid 130  and name HD3 ))
   (( segid "A   " and resid 130  and name HB2 ))
      3.100     1.200     1.200 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.36172E-02 ppm1      3.132 ppm2      1.602 CV     1
 ASSI { 2732}
   (( segid "B   " and resid 130  and name HD3 ))
   (( segid "B   " and resid 130  and name HB2 ))
      3.100     1.200     1.200 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.36172E-02 ppm1      3.132 ppm2      1.602 CV     1
 ASSI { 2733}
   (( segid "A   " and resid 130  and name HD2 ))
   (( segid "A   " and resid 130  and name HA  ))
      4.000     2.000     2.000 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.16154E-02 ppm1      3.069 ppm2      4.181 CV     1
 ASSI { 2733}
   (( segid "B   " and resid 130  and name HD2 ))
   (( segid "B   " and resid 130  and name HA  ))
      4.000     2.000     2.000 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.16154E-02 ppm1      3.069 ppm2      4.181 CV     1
 ASSI { 2735}
   (( segid "A   " and resid 130  and name HD2 ))
   (( segid "A   " and resid 130  and name HB3 ))
      3.000     1.100     1.100 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.39467E-02 ppm1      3.043 ppm2      1.759 CV     1
 ASSI { 2735}
   (( segid "B   " and resid 130  and name HD2 ))
   (( segid "B   " and resid 130  and name HB3 ))
      3.000     1.100     1.100 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.39467E-02 ppm1      3.043 ppm2      1.759 CV     1
 ASSI { 2737}
   (( segid "A   " and resid 130  and name HD3 ))
   (( segid "A   " and resid 130  and name HB3 ))
      2.400     0.700     0.700 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.35920E-02 ppm1      3.132 ppm2      1.759 CV     1
 ASSI { 2737}
   (( segid "B   " and resid 130  and name HD3 ))
   (( segid "B   " and resid 130  and name HB3 ))
      2.400     0.700     0.700 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.35920E-02 ppm1      3.132 ppm2      1.759 CV     1
 ASSI { 2740}
   (( segid "A   " and resid 130  and name HD2 ))
   (( segid "A   " and resid 130  and name HB2 ))
      2.700     0.900     0.900 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.34434E-02 ppm1      3.056 ppm2      1.642 CV     1
 ASSI { 2740}
   (( segid "B   " and resid 130  and name HD2 ))
   (( segid "B   " and resid 130  and name HB2 ))
      2.700     0.900     0.900 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.34434E-02 ppm1      3.056 ppm2      1.642 CV     1
 ASSI { 2743}
   (( segid "A   " and resid 55   and name HA2 ))
   (( segid "A   " and resid 55   and name HA1 ))
      2.100     0.600     0.600 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.42725E-02 ppm1      4.315 ppm2      3.752 CV     1
 ASSI { 2743}
   (( segid "B   " and resid 55   and name HA2 ))
   (( segid "B   " and resid 55   and name HA1 ))
      2.100     0.600     0.600 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.42725E-02 ppm1      4.315 ppm2      3.752 CV     1
 ASSI { 2746}
   (( segid "A   " and resid 55   and name HA1 ))
   (( segid "A   " and resid 129  and name HB2 ))
      4.300     2.300     1.700 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.76409E-03 ppm1      3.743 ppm2      2.697 CV     1
 ASSI { 2746}
   (( segid "B   " and resid 55   and name HA1 ))
   (( segid "B   " and resid 129  and name HB2 ))
      4.300     2.300     1.700 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.76409E-03 ppm1      3.743 ppm2      2.697 CV     1
 ASSI { 2755}
   (( segid "A   " and resid 128  and name HB2 ))
   (( segid "A   " and resid 128  and name HA  ))
      3.000     1.100     1.100 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      1.301 ppm2      4.650 CV     1
 ASSI { 2755}
   (( segid "B   " and resid 128  and name HB2 ))
   (( segid "B   " and resid 128  and name HA  ))
      3.000     1.100     1.100 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.17946E-02 ppm1      1.301 ppm2      4.650 CV     1
 ASSI { 2756}
   (( segid "A   " and resid 128  and name HB3 ))
   (  segid "A   " and resid 128  and name HD1%)
      2.800     1.000     1.000 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.43654E-02 ppm1      1.352 ppm2      0.665 CV     1
 ASSI { 2756}
   (( segid "B   " and resid 128  and name HB3 ))
   (  segid "B   " and resid 128  and name HD1%)
      2.800     1.000     1.000 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.43654E-02 ppm1      1.352 ppm2      0.665 CV     1
 ASSI { 2757}
   (( segid "A   " and resid 106  and name HA2 ))
   (( segid "A   " and resid 106  and name HA1 ))
      2.300     0.600     0.600 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.39865E-02 ppm1      4.366 ppm2      3.673 CV     1
 ASSI { 2757}
   (( segid "B   " and resid 106  and name HA2 ))
   (( segid "B   " and resid 106  and name HA1 ))
      2.300     0.600     0.600 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.39865E-02 ppm1      4.366 ppm2      3.673 CV     1
 ASSI { 2773}
   (( segid "A   " and resid 115  and name HA2 ))
   (( segid "A   " and resid 119  and name HB2 ))
      3.300     1.300     1.300 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.77394E-03 ppm1      4.061 ppm2      1.798 CV     1
 ASSI { 2773}
   (( segid "B   " and resid 115  and name HA2 ))
   (( segid "B   " and resid 119  and name HB2 ))
      3.300     1.300     1.300 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.77394E-03 ppm1      4.061 ppm2      1.798 CV     1
 ASSI { 2806}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 81   and name HB3 ))
      4.000     2.000     2.000 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.10528E-02 ppm1      5.002 ppm2      1.720 CV     1
 ASSI { 2806}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 81   and name HB3 ))
      4.000     2.000     2.000 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.10528E-02 ppm1      5.002 ppm2      1.720 CV     1
 ASSI { 2810}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 81   and name HD2 ))
      3.100     1.200     1.200 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.12905E-02 ppm1      5.002 ppm2      3.712 CV     1
 ASSI { 2810}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 81   and name HD2 ))
      3.100     1.200     1.200 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.12905E-02 ppm1      5.002 ppm2      3.712 CV     1
 ASSI { 2811}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 81   and name HD3 ))
      2.600     0.900     0.900 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.16814E-02 ppm1      4.989 ppm2      4.103 CV     1
 ASSI { 2811}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 81   and name HD3 ))
      2.600     0.900     0.900 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.16814E-02 ppm1      4.989 ppm2      4.103 CV     1
 ASSI { 2814}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 80   and name HB2 ))
      3.200     1.300     1.300 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.13954E-02 ppm1      4.989 ppm2      2.618 CV     1
 ASSI { 2814}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 80   and name HB2 ))
      3.200     1.300     1.300 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.13954E-02 ppm1      4.989 ppm2      2.618 CV     1
 ASSI { 2815}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "A   " and resid 80   and name HB3 ))
      3.100     1.200     1.200 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.98414E-03 ppm1      4.989 ppm2      2.931 CV     1
 ASSI { 2815}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "B   " and resid 80   and name HB3 ))
      3.100     1.200     1.200 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.98414E-03 ppm1      4.989 ppm2      2.931 CV     1
 ASSI { 2820}
   (( segid "A   " and resid 126  and name HD3 ))
   (  segid "A   " and resid 125  and name HD1%)
      5.300     3.500     0.700 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.10194E-02 ppm1      3.298 ppm2     -0.195 CV     1
 ASSI { 2820}
   (( segid "B   " and resid 126  and name HD3 ))
   (  segid "B   " and resid 125  and name HD1%)
      5.300     3.500     0.700 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.10194E-02 ppm1      3.298 ppm2     -0.195 CV     1
 ASSI { 2821}
   (( segid "A   " and resid 126  and name HD2 ))
   (  segid "A   " and resid 125  and name HD1%)
      4.500     2.500     1.500 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.75927E-03 ppm1      2.496 ppm2     -0.195 CV     1
 ASSI { 2821}
   (( segid "B   " and resid 126  and name HD2 ))
   (  segid "B   " and resid 125  and name HD1%)
      4.500     2.500     1.500 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.75927E-03 ppm1      2.496 ppm2     -0.195 CV     1
 ASSI { 2835}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 38   and name HD3 ))
      2.600     0.900     0.900 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.42159E-02 ppm1      5.244 ppm2      3.830 CV     1
 ASSI { 2835}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 38   and name HD3 ))
      2.600     0.900     0.900 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.42159E-02 ppm1      5.244 ppm2      3.830 CV     1
 ASSI { 2836}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 38   and name HD2 ))
      2.400     0.700     0.700 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.37166E-02 ppm1      5.244 ppm2      3.556 CV     1
 ASSI { 2836}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 38   and name HD2 ))
      2.400     0.700     0.700 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.37166E-02 ppm1      5.244 ppm2      3.556 CV     1
 ASSI { 2837}
   (( segid "A   " and resid 37   and name HA  ))
   (  segid "A   " and resid 40   and name HD1%)
      4.300     2.300     1.700 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.97206E-03 ppm1      5.256 ppm2      0.782 CV     1
 ASSI { 2837}
   (( segid "B   " and resid 37   and name HA  ))
   (  segid "B   " and resid 40   and name HD1%)
      4.300     2.300     1.700 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.97206E-03 ppm1      5.256 ppm2      0.782 CV     1
 ASSI { 2838}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HB2 ))
      3.000     1.200     1.200 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.17046E-02 ppm1      5.231 ppm2      2.618 CV     1
 ASSI { 2838}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 37   and name HB2 ))
      3.000     1.200     1.200 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.17046E-02 ppm1      5.231 ppm2      2.618 CV     1
 ASSI { 2839}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 38   and name HG2 ))
      4.100     2.100     1.900 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.23944E-02 ppm1      5.244 ppm2      1.954 CV     1
 OR { 2839}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 38   and name HG3 ))
 ASSI { 2839}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 38   and name HG2 ))
      4.100     2.100     1.900 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.23944E-02 ppm1      5.244 ppm2      1.954 CV     1
 OR { 2839}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 38   and name HG3 ))
 ASSI { 2841}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HB3 ))
      2.800     1.000     1.000 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.15170E-02 ppm1      5.244 ppm2      2.892 CV     1
 ASSI { 2841}
   (( segid "B   " and resid 37   and name HA  ))
   (( segid "B   " and resid 37   and name HB3 ))
      2.800     1.000     1.000 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.15170E-02 ppm1      5.244 ppm2      2.892 CV     1
 ASSI { 2843}
   (( segid "A   " and resid 84   and name HD2 ))
   (( segid "A   " and resid 84   and name HD3 ))
      2.600     0.800     0.800 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.10241E-02 ppm1      3.348 ppm2      4.142 CV     1
 ASSI { 2843}
   (( segid "B   " and resid 84   and name HD2 ))
   (( segid "B   " and resid 84   and name HD3 ))
      2.600     0.800     0.800 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.10241E-02 ppm1      3.348 ppm2      4.142 CV     1
 ASSI { 2845}
   (( segid "A   " and resid 38   and name HD3 ))
   (( segid "A   " and resid 38   and name HD2 ))
      2.100     0.500     0.500 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.44991E-02 ppm1      3.832 ppm2      3.556 CV     1
 ASSI { 2845}
   (( segid "B   " and resid 38   and name HD3 ))
   (( segid "B   " and resid 38   and name HD2 ))
      2.100     0.500     0.500 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.44991E-02 ppm1      3.832 ppm2      3.556 CV     1
 ASSI { 2847}
   (( segid "A   " and resid 38   and name HD3 ))
   (( segid "A   " and resid 38   and name HB3 ))
      3.500     1.500     1.500 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.77486E-03 ppm1      3.819 ppm2      2.345 CV     1
 ASSI { 2847}
   (( segid "B   " and resid 38   and name HD3 ))
   (( segid "B   " and resid 38   and name HB3 ))
      3.500     1.500     1.500 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.77486E-03 ppm1      3.819 ppm2      2.345 CV     1
 ASSI { 2848}
   (( segid "A   " and resid 38   and name HD2 ))
   (( segid "A   " and resid 38   and name HG2 ))
      2.500     0.800     0.800 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.38566E-02 ppm1      3.539 ppm2      1.954 CV     1
 OR { 2848}
   (( segid "A   " and resid 38   and name HD2 ))
   (( segid "A   " and resid 38   and name HG3 ))
 ASSI { 2848}
   (( segid "B   " and resid 38   and name HD2 ))
   (( segid "B   " and resid 38   and name HG2 ))
      2.500     0.800     0.800 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.38566E-02 ppm1      3.539 ppm2      1.954 CV     1
 OR { 2848}
   (( segid "B   " and resid 38   and name HD2 ))
   (( segid "B   " and resid 38   and name HG3 ))
 ASSI { 2852}
   (( segid "A   " and resid 38   and name HD3 ))
   (( segid "A   " and resid 38   and name HG3 ))
      2.600     0.800     0.800 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.39002E-02 ppm1      3.832 ppm2      1.954 CV     1
 OR { 2852}
   (( segid "A   " and resid 38   and name HD3 ))
   (( segid "A   " and resid 38   and name HG2 ))
 ASSI { 2852}
   (( segid "B   " and resid 38   and name HD3 ))
   (( segid "B   " and resid 38   and name HG3 ))
      2.600     0.800     0.800 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.39002E-02 ppm1      3.832 ppm2      1.954 CV     1
 OR { 2852}
   (( segid "B   " and resid 38   and name HD3 ))
   (( segid "B   " and resid 38   and name HG2 ))
 ASSI { 2855}
   (( segid "A   " and resid 38   and name HD2 ))
   (( segid "A   " and resid 38   and name HB3 ))
      4.400     2.400     1.600 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.71692E-03 ppm1      3.565 ppm2      2.345 CV     1
 ASSI { 2855}
   (( segid "B   " and resid 38   and name HD2 ))
   (( segid "B   " and resid 38   and name HB3 ))
      4.400     2.400     1.600 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.71692E-03 ppm1      3.565 ppm2      2.345 CV     1
 ASSI { 2860}
   (( segid "A   " and resid 112  and name HA  ))
   (( segid "A   " and resid 112  and name HB2 ))
      2.800     1.000     1.000 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.10018E-02 ppm1      5.383 ppm2      2.657 CV     1
 ASSI { 2860}
   (( segid "B   " and resid 112  and name HA  ))
   (( segid "B   " and resid 112  and name HB2 ))
      2.800     1.000     1.000 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.10018E-02 ppm1      5.383 ppm2      2.657 CV     1
 ASSI { 2866}
   (( segid "A   " and resid 61   and name HA  ))
   (( segid "A   " and resid 61   and name HB3 ))
      2.400     0.700     0.700 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.48649E-02 ppm1      4.926 ppm2      3.205 CV     1
 ASSI { 2866}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "B   " and resid 61   and name HB3 ))
      2.400     0.700     0.700 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.48649E-02 ppm1      4.926 ppm2      3.205 CV     1
 ASSI { 2867}
   (( segid "A   " and resid 61   and name HA  ))
   (( segid "A   " and resid 61   and name HB2 ))
      2.600     0.900     0.900 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.66791E-02 ppm1      4.926 ppm2      2.775 CV     1
 ASSI { 2867}
   (( segid "B   " and resid 61   and name HA  ))
   (( segid "B   " and resid 61   and name HB2 ))
      2.600     0.900     0.900 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.66791E-02 ppm1      4.926 ppm2      2.775 CV     1
 ASSI { 2876}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 24   and name HB3 ))
      3.200     1.300     1.300 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.94512E-03 ppm1      5.218 ppm2      2.228 CV     1
 OR { 2876}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI { 2876}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 24   and name HB3 ))
      3.200     1.300     1.300 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.94512E-03 ppm1      5.218 ppm2      2.228 CV     1
 OR { 2876}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI { 2884}
   (( segid "A   " and resid 125  and name HA  ))
   (( segid "A   " and resid 126  and name HG3 ))
      4.500     2.500     1.500 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.91729E-03 ppm1      3.870 ppm2      2.150 CV     1
 ASSI { 2884}
   (( segid "B   " and resid 125  and name HA  ))
   (( segid "B   " and resid 126  and name HG3 ))
      4.500     2.500     1.500 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.91729E-03 ppm1      3.870 ppm2      2.150 CV     1
 ASSI { 2885}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "A   " and resid 84   and name HD2 ))
      3.000     1.100     1.100 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.14781E-02 ppm1      4.862 ppm2      3.361 CV     1
 ASSI { 2885}
   (( segid "B   " and resid 83   and name HA  ))
   (( segid "B   " and resid 84   and name HD2 ))
      3.000     1.100     1.100 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.14781E-02 ppm1      4.862 ppm2      3.361 CV     1
 ASSI { 2886}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "A   " and resid 84   and name HD3 ))
      2.600     0.800     0.800 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.19627E-02 ppm1      4.862 ppm2      4.142 CV     1
 ASSI { 2886}
   (( segid "B   " and resid 83   and name HA  ))
   (( segid "B   " and resid 84   and name HD3 ))
      2.600     0.800     0.800 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.19627E-02 ppm1      4.862 ppm2      4.142 CV     1
 ASSI { 2887}
   (( segid "A   " and resid 125  and name HA  ))
   (( segid "A   " and resid 126  and name HD2 ))
      2.900     1.100     1.100 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.13499E-02 ppm1      3.857 ppm2      2.501 CV     1
 ASSI { 2887}
   (( segid "B   " and resid 125  and name HA  ))
   (( segid "B   " and resid 126  and name HD2 ))
      2.900     1.100     1.100 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.13499E-02 ppm1      3.857 ppm2      2.501 CV     1
 ASSI { 2888}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "A   " and resid 83   and name HG3 ))
      3.700     1.700     1.700 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.76030E-03 ppm1      4.849 ppm2      1.524 CV     1
 ASSI { 2888}
   (( segid "B   " and resid 83   and name HA  ))
   (( segid "B   " and resid 83   and name HG3 ))
      3.700     1.700     1.700 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.76030E-03 ppm1      4.849 ppm2      1.524 CV     1
 ASSI { 2890}
   (( segid "A   " and resid 125  and name HA  ))
   (  segid "A   " and resid 125  and name HD1%)
      4.200     2.200     1.800 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.18949E-02 ppm1      3.870 ppm2     -0.195 CV     1
 ASSI { 2890}
   (( segid "B   " and resid 125  and name HA  ))
   (  segid "B   " and resid 125  and name HD1%)
      4.200     2.200     1.800 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.18949E-02 ppm1      3.870 ppm2     -0.195 CV     1
 ASSI { 2891}
   (( segid "A   " and resid 83   and name HA  ))
   (( segid "A   " and resid 83   and name HG2 ))
      3.800     1.800     1.800 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.94607E-03 ppm1      4.875 ppm2      1.368 CV     1
 ASSI { 2891}
   (( segid "B   " and resid 83   and name HA  ))
   (( segid "B   " and resid 83   and name HG2 ))
      3.800     1.800     1.800 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.94607E-03 ppm1      4.875 ppm2      1.368 CV     1
 ASSI { 2892}
   (( segid "A   " and resid 125  and name HA  ))
   (( segid "A   " and resid 126  and name HD3 ))
      2.800     1.000     1.000 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.20416E-02 ppm1      3.870 ppm2      3.283 CV     1
 ASSI { 2892}
   (( segid "B   " and resid 125  and name HA  ))
   (( segid "B   " and resid 126  and name HD3 ))
      2.800     1.000     1.000 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.20416E-02 ppm1      3.870 ppm2      3.283 CV     1
 ASSI { 2896}
   (( segid "A   " and resid 47   and name HA  ))
   (( segid "A   " and resid 48   and name HD3 ))
      3.000     1.100     1.100 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.18661E-02 ppm1      4.989 ppm2      3.986 CV     1
 ASSI { 2896}
   (( segid "B   " and resid 47   and name HA  ))
   (( segid "B   " and resid 48   and name HD3 ))
      3.000     1.100     1.100 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.18661E-02 ppm1      4.989 ppm2      3.986 CV     1
 ASSI { 2897}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 21   and name HB2 ))
      2.500     0.800     0.800 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.61535E-02 ppm1      4.976 ppm2      2.501 CV     1
 ASSI { 2897}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 21   and name HB2 ))
      2.500     0.800     0.800 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.61535E-02 ppm1      4.976 ppm2      2.501 CV     1
 ASSI { 2898}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 21   and name HB3 ))
      2.400     0.700     0.700 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.73170E-02 ppm1      4.964 ppm2      2.892 CV     1
 ASSI { 2898}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 21   and name HB3 ))
      2.400     0.700     0.700 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.73170E-02 ppm1      4.964 ppm2      2.892 CV     1
 ASSI { 2900}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 57   and name HD2 ))
      2.700     0.900     0.900 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      4.468 ppm2      3.205 CV     1
 OR { 2900}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 57   and name HD3 ))
 ASSI { 2900}
   (( segid "B   " and resid 56   and name HA  ))
   (( segid "B   " and resid 57   and name HD2 ))
      2.700     0.900     0.900 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      4.468 ppm2      3.205 CV     1
 OR { 2900}
   (( segid "B   " and resid 56   and name HA  ))
   (( segid "B   " and resid 57   and name HD3 ))
 ASSI { 2903}
   (( segid "A   " and resid 128  and name HA  ))
   (( segid "A   " and resid 128  and name HB3 ))
      2.300     0.700     0.700 peak  2903 spectrum    1 weight  0.10000E+01 volume  0.51547E-02 ppm1      4.633 ppm2      1.368 CV     1
 ASSI { 2903}
   (( segid "B   " and resid 128  and name HA  ))
   (( segid "B   " and resid 128  and name HB3 ))
      2.300     0.700     0.700 peak  2903 spectrum    1 weight  0.10000E+01 volume  0.51547E-02 ppm1      4.633 ppm2      1.368 CV     1
 ASSI { 2905}
   (( segid "A   " and resid 47   and name HA  ))
   (( segid "A   " and resid 48   and name HD2 ))
      2.600     0.900     0.900 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.24547E-02 ppm1      5.015 ppm2      3.752 CV     1
 ASSI { 2905}
   (( segid "B   " and resid 47   and name HA  ))
   (( segid "B   " and resid 48   and name HD2 ))
      2.600     0.900     0.900 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.24547E-02 ppm1      5.015 ppm2      3.752 CV     1
 ASSI { 2908}
   (( segid "A   " and resid 65   and name HA  ))
   (  segid "A   " and resid 73   and name HD1%)
      3.000     1.100     1.100 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.26766E-02 ppm1      3.781 ppm2      0.665 CV     1
 ASSI { 2908}
   (( segid "B   " and resid 65   and name HA  ))
   (  segid "B   " and resid 73   and name HD1%)
      3.000     1.100     1.100 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.26766E-02 ppm1      3.781 ppm2      0.665 CV     1
 ASSI { 2911}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 2    and name HB3 ))
      2.000     0.500     0.500 peak  2911 spectrum    1 weight  0.10000E+01 volume  0.17389E-01 ppm1      4.620 ppm2      2.736 CV     1
 ASSI { 2911}
   (( segid "B   " and resid 2    and name HA  ))
   (( segid "B   " and resid 2    and name HB3 ))
      2.000     0.500     0.500 peak  2911 spectrum    1 weight  0.10000E+01 volume  0.17389E-01 ppm1      4.620 ppm2      2.736 CV     1
 ASSI { 2914}
   (( segid "A   " and resid 22   and name HA  ))
   (  segid "A   " and resid 23   and name HG2%)
      3.300     1.400     1.400 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.25123E-02 ppm1      4.798 ppm2      0.821 CV     1
 ASSI { 2914}
   (( segid "B   " and resid 22   and name HA  ))
   (  segid "B   " and resid 23   and name HG2%)
      3.300     1.400     1.400 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.25123E-02 ppm1      4.798 ppm2      0.821 CV     1
 ASSI { 2915}
   (( segid "A   " and resid 98   and name HA  ))
   (  segid "A   " and resid 70   and name HD2%)
      2.800     1.000     1.000 peak  2915 spectrum    1 weight  0.10000E+01 volume  0.17751E-02 ppm1      4.430 ppm2      0.665 CV     1
 ASSI { 2915}
   (( segid "B   " and resid 98   and name HA  ))
   (  segid "B   " and resid 70   and name HD2%)
      2.800     1.000     1.000 peak  2915 spectrum    1 weight  0.10000E+01 volume  0.17751E-02 ppm1      4.430 ppm2      0.665 CV     1
 ASSI { 2920}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 39   and name HB3 ))
      2.300     0.700     0.700 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.10890E-01 ppm1      4.468 ppm2      2.697 CV     1
 OR { 2920}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 39   and name HB2 ))
 ASSI { 2920}
   (( segid "B   " and resid 39   and name HA  ))
   (( segid "B   " and resid 39   and name HB3 ))
      2.300     0.700     0.700 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.10890E-01 ppm1      4.468 ppm2      2.697 CV     1
 OR { 2920}
   (( segid "B   " and resid 39   and name HA  ))
   (( segid "B   " and resid 39   and name HB2 ))
 ASSI { 2925}
   (( segid "A   " and resid 129  and name HA  ))
   (( segid "A   " and resid 129  and name HB3 ))
      2.400     0.700     0.700 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.84207E-02 ppm1      4.353 ppm2      2.775 CV     1
 ASSI { 2925}
   (( segid "B   " and resid 129  and name HA  ))
   (( segid "B   " and resid 129  and name HB3 ))
      2.400     0.700     0.700 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.84207E-02 ppm1      4.353 ppm2      2.775 CV     1
 ASSI { 2926}
   (( segid "A   " and resid 95   and name HA  ))
   (  segid "A   " and resid 87   and name HG1%)
      3.700     1.700     1.700 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.18903E-02 ppm1      3.705 ppm2      0.821 CV     1
 ASSI { 2926}
   (( segid "B   " and resid 95   and name HA  ))
   (  segid "B   " and resid 87   and name HG1%)
      3.700     1.700     1.700 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.18903E-02 ppm1      3.705 ppm2      0.821 CV     1
 ASSI { 2930}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 54   and name HG2 ))
      2.700     0.900     0.900 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.27610E-02 ppm1      4.671 ppm2      2.540 CV     1
 ASSI { 2930}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "B   " and resid 54   and name HG2 ))
      2.700     0.900     0.900 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.27610E-02 ppm1      4.671 ppm2      2.540 CV     1
 ASSI { 2932}
   (( segid "A   " and resid 129  and name HA  ))
   (( segid "A   " and resid 129  and name HB2 ))
      2.300     0.700     0.700 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.82983E-02 ppm1      4.353 ppm2      2.697 CV     1
 ASSI { 2932}
   (( segid "B   " and resid 129  and name HA  ))
   (( segid "B   " and resid 129  and name HB2 ))
      2.300     0.700     0.700 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.82983E-02 ppm1      4.353 ppm2      2.697 CV     1
 ASSI { 2933}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.12162E-02 ppm1      5.002 ppm2      2.970 CV     1
 ASSI { 2933}
   (( segid "B   " and resid 64   and name HA  ))
   (( segid "B   " and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.12162E-02 ppm1      5.002 ppm2      2.970 CV     1
 ASSI { 2934}
   (( segid "A   " and resid 95   and name HA  ))
   (( segid "A   " and resid 87   and name HB  ))
      3.700     1.700     1.700 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.10491E-02 ppm1      3.717 ppm2      1.837 CV     1
 ASSI { 2934}
   (( segid "B   " and resid 95   and name HA  ))
   (( segid "B   " and resid 87   and name HB  ))
      3.700     1.700     1.700 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.10491E-02 ppm1      3.717 ppm2      1.837 CV     1
 ASSI { 2935}
   (( segid "A   " and resid 17   and name HA  ))
   (  segid "A   " and resid 17   and name HB% )
      1.900     0.500     0.500 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.26822E-01 ppm1      4.086 ppm2      1.446 CV     1
 ASSI { 2935}
   (( segid "B   " and resid 17   and name HA  ))
   (  segid "B   " and resid 17   and name HB% )
      1.900     0.500     0.500 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.26822E-01 ppm1      4.086 ppm2      1.446 CV     1
 ASSI { 2940}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 21   and name HB3 ))
      3.100     1.200     1.200 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.14818E-02 ppm1      4.112 ppm2      2.931 CV     1
 ASSI { 2940}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 21   and name HB3 ))
      3.100     1.200     1.200 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.14818E-02 ppm1      4.112 ppm2      2.931 CV     1
 ASSI { 2946}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 76   and name HE3 ))
      4.800     2.900     1.200 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.80958E-03 ppm1      4.684 ppm2      2.970 CV     1
 OR { 2946}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 76   and name HE2 ))
 ASSI { 2946}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 76   and name HE3 ))
      4.800     2.900     1.200 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.80958E-03 ppm1      4.684 ppm2      2.970 CV     1
 OR { 2946}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 76   and name HE2 ))
 ASSI { 2947}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 64   and name HB3 ))
      3.700     1.700     1.700 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.83297E-03 ppm1      5.040 ppm2      3.283 CV     1
 ASSI { 2947}
   (( segid "B   " and resid 64   and name HA  ))
   (( segid "B   " and resid 64   and name HB3 ))
      3.700     1.700     1.700 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.83297E-03 ppm1      5.040 ppm2      3.283 CV     1
 ASSI { 2951}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak  2951 spectrum    1 weight  0.10000E+01 volume  0.97856E-02 ppm1      4.659 ppm2      1.681 CV     1
 ASSI { 2951}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak  2951 spectrum    1 weight  0.10000E+01 volume  0.97856E-02 ppm1      4.659 ppm2      1.681 CV     1
 ASSI { 2953}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 76   and name HB3 ))
      2.200     0.600     0.600 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.78415E-02 ppm1      4.659 ppm2      2.110 CV     1
 ASSI { 2953}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 76   and name HB3 ))
      2.200     0.600     0.600 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.78415E-02 ppm1      4.659 ppm2      2.110 CV     1
 ASSI { 2955}
   (( segid "A   " and resid 76   and name HA  ))
   (( segid "A   " and resid 76   and name HG3 ))
      2.800     1.000     1.000 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.81561E-02 ppm1      4.659 ppm2      1.446 CV     1
 ASSI { 2955}
   (( segid "B   " and resid 76   and name HA  ))
   (( segid "B   " and resid 76   and name HG3 ))
      2.800     1.000     1.000 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.81561E-02 ppm1      4.659 ppm2      1.446 CV     1
 ASSI { 2957}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 12   and name HA  ))
      3.700     1.700     1.700 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.79463E-03 ppm1      4.124 ppm2      3.439 CV     1
 ASSI { 2957}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 12   and name HA  ))
      3.700     1.700     1.700 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.79463E-03 ppm1      4.124 ppm2      3.439 CV     1
 ASSI { 2961}
   (( segid "A   " and resid 79   and name HA  ))
   (  segid "A   " and resid 79   and name HD1%)
      3.500     1.500     1.500 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.22616E-02 ppm1      4.252 ppm2      0.743 CV     1
 ASSI { 2961}
   (( segid "B   " and resid 79   and name HA  ))
   (  segid "B   " and resid 79   and name HD1%)
      3.500     1.500     1.500 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.22616E-02 ppm1      4.252 ppm2      0.743 CV     1
 ASSI { 2962}
   (( segid "A   " and resid 63   and name HA  ))
   (( segid "A   " and resid 63   and name HD3 ))
      3.100     1.200     1.200 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.32728E-02 ppm1      4.226 ppm2      1.759 CV     1
 ASSI { 2962}
   (( segid "B   " and resid 63   and name HA  ))
   (( segid "B   " and resid 63   and name HD3 ))
      3.100     1.200     1.200 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.32728E-02 ppm1      4.226 ppm2      1.759 CV     1
 ASSI { 2965}
   (( segid "A   " and resid 30   and name HA  ))
   (  segid "A   " and resid 33   and name HD2%)
      3.600     1.600     1.600 peak  2965 spectrum    1 weight  0.10000E+01 volume  0.75166E-03 ppm1      3.934 ppm2      0.079 CV     1
 ASSI { 2965}
   (( segid "B   " and resid 30   and name HA  ))
   (  segid "B   " and resid 33   and name HD2%)
      3.600     1.600     1.600 peak  2965 spectrum    1 weight  0.10000E+01 volume  0.75166E-03 ppm1      3.934 ppm2      0.079 CV     1
 ASSI { 2971}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  2971 spectrum    1 weight  0.10000E+01 volume  0.93307E-03 ppm1      3.946 ppm2      7.854 CV     1
 ASSI { 2971}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  2971 spectrum    1 weight  0.10000E+01 volume  0.93307E-03 ppm1      3.946 ppm2      7.854 CV     1
 ASSI { 2982}
   (( segid "A   " and resid 111  and name HA  ))
   (( segid "A   " and resid 111  and name HB2 ))
      3.200     1.300     1.300 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.12487E-02 ppm1      5.765 ppm2      2.892 CV     1
 ASSI { 2982}
   (( segid "B   " and resid 111  and name HA  ))
   (( segid "B   " and resid 111  and name HB2 ))
      3.200     1.300     1.300 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.12487E-02 ppm1      5.765 ppm2      2.892 CV     1
 ASSI { 2984}
   (( segid "A   " and resid 130  and name HA  ))
   (( segid "A   " and resid 130  and name HD3 ))
      4.000     2.000     2.000 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.18197E-02 ppm1      4.162 ppm2      3.165 CV     1
 ASSI { 2984}
   (( segid "B   " and resid 130  and name HA  ))
   (( segid "B   " and resid 130  and name HD3 ))
      4.000     2.000     2.000 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.18197E-02 ppm1      4.162 ppm2      3.165 CV     1
 ASSI { 2988}
   (( segid "A   " and resid 130  and name HA  ))
   (( segid "A   " and resid 130  and name HB3 ))
      2.400     0.700     0.700 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.96370E-02 ppm1      4.162 ppm2      1.759 CV     1
 ASSI { 2988}
   (( segid "B   " and resid 130  and name HA  ))
   (( segid "B   " and resid 130  and name HB3 ))
      2.400     0.700     0.700 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.96370E-02 ppm1      4.162 ppm2      1.759 CV     1
 ASSI { 2994}
   (( segid "A   " and resid 130  and name HA  ))
   (( segid "A   " and resid 130  and name HG3 ))
      2.200     0.600     0.600 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.92295E-02 ppm1      4.162 ppm2      1.446 CV     1
 OR { 2994}
   (( segid "A   " and resid 130  and name HA  ))
   (( segid "A   " and resid 130  and name HG2 ))
 ASSI { 2994}
   (( segid "B   " and resid 130  and name HA  ))
   (( segid "B   " and resid 130  and name HG3 ))
      2.200     0.600     0.600 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.92295E-02 ppm1      4.162 ppm2      1.446 CV     1
 OR { 2994}
   (( segid "B   " and resid 130  and name HA  ))
   (( segid "B   " and resid 130  and name HG2 ))
 ASSI { 2998}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.14688E-02 ppm1      4.035 ppm2      1.134 CV     1
 ASSI { 2998}
   (( segid "B   " and resid 73   and name HA  ))
   (( segid "B   " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.14688E-02 ppm1      4.035 ppm2      1.134 CV     1
 ASSI { 3019}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 60   and name HE2 ))
      3.500     1.500     1.500 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.12998E-02 ppm1      4.137 ppm2      2.970 CV     1
 OR { 3019}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 60   and name HE3 ))
 ASSI { 3019}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 60   and name HE2 ))
      3.500     1.500     1.500 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.12998E-02 ppm1      4.137 ppm2      2.970 CV     1
 OR { 3019}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 60   and name HE3 ))
 ASSI { 3022}
   (( segid "A   " and resid 82   and name HA  ))
   (( segid "A   " and resid 82   and name HB3 ))
      2.100     0.500     0.500 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.12097E-01 ppm1      4.124 ppm2      2.150 CV     1
 ASSI { 3022}
   (( segid "B   " and resid 82   and name HA  ))
   (( segid "B   " and resid 82   and name HB3 ))
      2.100     0.500     0.500 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.12097E-01 ppm1      4.124 ppm2      2.150 CV     1
 ASSI { 3026}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.27564E-02 ppm1      4.506 ppm2      2.540 CV     1
 ASSI { 3026}
   (( segid "B   " and resid 29   and name HA  ))
   (( segid "B   " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.27564E-02 ppm1      4.506 ppm2      2.540 CV     1
 ASSI { 3027}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 27   and name HG2 ))
      3.800     1.800     1.800 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.14363E-02 ppm1      4.697 ppm2      1.993 CV     1
 ASSI { 3027}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 27   and name HG2 ))
      3.800     1.800     1.800 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.14363E-02 ppm1      4.697 ppm2      1.993 CV     1
 ASSI { 3029}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HB3 ))
      2.700     0.900     0.900 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.23861E-02 ppm1      4.697 ppm2      4.299 CV     1
 ASSI { 3029}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB3 ))
      2.700     0.900     0.900 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.23861E-02 ppm1      4.697 ppm2      4.299 CV     1
 ASSI { 3032}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HB2 ))
      2.600     0.900     0.900 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.41019E-02 ppm1      4.697 ppm2      4.064 CV     1
 ASSI { 3032}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
      2.600     0.900     0.900 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.41019E-02 ppm1      4.697 ppm2      4.064 CV     1
 ASSI { 3033}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 27   and name HG3 ))
      4.700     2.700     1.300 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.95257E-03 ppm1      4.697 ppm2      2.189 CV     1
 ASSI { 3033}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 27   and name HG3 ))
      4.700     2.700     1.300 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.95257E-03 ppm1      4.697 ppm2      2.189 CV     1
 ASSI { 3034}
   (( segid "A   " and resid 62   and name HA  ))
   (  segid "A   " and resid 42   and name HD2%)
      4.200     2.200     1.800 peak  3034 spectrum    1 weight  0.10000E+01 volume  0.60273E-03 ppm1      4.849 ppm2      0.391 CV     1
 ASSI { 3034}
   (( segid "B   " and resid 62   and name HA  ))
   (  segid "B   " and resid 42   and name HD2%)
      4.200     2.200     1.800 peak  3034 spectrum    1 weight  0.10000E+01 volume  0.60273E-03 ppm1      4.849 ppm2      0.391 CV     1
 ASSI { 3037}
   (( segid "A   " and resid 88   and name HA  ))
   (( segid "A   " and resid 88   and name HB2 ))
      2.900     1.000     1.000 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.89565E-03 ppm1      5.498 ppm2      2.462 CV     1
 ASSI { 3037}
   (( segid "B   " and resid 88   and name HA  ))
   (( segid "B   " and resid 88   and name HB2 ))
      2.900     1.000     1.000 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.89565E-03 ppm1      5.498 ppm2      2.462 CV     1
 ASSI { 3045}
   (( segid "A   " and resid 62   and name HA  ))
   (( segid "A   " and resid 62   and name HB2 ))
      2.900     1.000     1.000 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.13685E-02 ppm1      4.862 ppm2      2.736 CV     1
 OR { 3045}
   (( segid "A   " and resid 62   and name HA  ))
   (( segid "A   " and resid 62   and name HB3 ))
 ASSI { 3045}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 62   and name HB2 ))
      2.900     1.000     1.000 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.13685E-02 ppm1      4.862 ppm2      2.736 CV     1
 OR { 3045}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 62   and name HB3 ))
 ASSI { 3056}
   (( segid "A   " and resid 108  and name HA  ))
   (( segid "A   " and resid 108  and name HG3 ))
      2.500     0.800     0.800 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.10584E-01 ppm1      4.264 ppm2      1.602 CV     1
 ASSI { 3056}
   (( segid "B   " and resid 108  and name HA  ))
   (( segid "B   " and resid 108  and name HG3 ))
      2.500     0.800     0.800 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.10584E-01 ppm1      4.264 ppm2      1.602 CV     1
 ASSI { 3062}
   (( segid "A   " and resid 108  and name HA  ))
   (( segid "A   " and resid 108  and name HG2 ))
      2.300     0.700     0.700 peak  3062 spectrum    1 weight  0.10000E+01 volume  0.41130E-02 ppm1      4.264 ppm2      1.407 CV     1
 ASSI { 3062}
   (( segid "B   " and resid 108  and name HA  ))
   (( segid "B   " and resid 108  and name HG2 ))
      2.300     0.700     0.700 peak  3062 spectrum    1 weight  0.10000E+01 volume  0.41130E-02 ppm1      4.264 ppm2      1.407 CV     1
 ASSI { 3064}
   (( segid "A   " and resid 108  and name HA  ))
   (( segid "A   " and resid 108  and name HB2 ))
      2.200     0.600     0.600 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.11160E-01 ppm1      4.264 ppm2      1.837 CV     1
 OR { 3064}
   (( segid "A   " and resid 108  and name HA  ))
   (( segid "A   " and resid 108  and name HB3 ))
 ASSI { 3064}
   (( segid "B   " and resid 108  and name HA  ))
   (( segid "B   " and resid 108  and name HB2 ))
      2.200     0.600     0.600 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.11160E-01 ppm1      4.264 ppm2      1.837 CV     1
 OR { 3064}
   (( segid "B   " and resid 108  and name HA  ))
   (( segid "B   " and resid 108  and name HB3 ))
 ASSI { 3067}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.600     0.900     0.900 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.23211E-02 ppm1      4.760 ppm2      3.361 CV     1
 ASSI { 3067}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name HB2 ))
      2.600     0.900     0.900 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.23211E-02 ppm1      4.760 ppm2      3.361 CV     1
 ASSI { 3068}
   (( segid "A   " and resid 34   and name HA  ))
   (  segid "A   " and resid 33   and name HD2%)
      4.500     2.500     1.500 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.10862E-02 ppm1      3.870 ppm2      0.079 CV     1
 ASSI { 3068}
   (( segid "B   " and resid 34   and name HA  ))
   (  segid "B   " and resid 33   and name HD2%)
      4.500     2.500     1.500 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.10862E-02 ppm1      3.870 ppm2      0.079 CV     1
 ASSI { 3069}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 11   and name HB3 ))
      3.400     1.400     1.400 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.11373E-02 ppm1      4.773 ppm2      3.595 CV     1
 ASSI { 3069}
   (( segid "B   " and resid 8    and name HA  ))
   (( segid "B   " and resid 11   and name HB3 ))
      3.400     1.400     1.400 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.11373E-02 ppm1      4.773 ppm2      3.595 CV     1
 ASSI { 3072}
   (( segid "A   " and resid 8    and name HA  ))
   (  segid "B   " and resid 75   and name HB% )
      3.300     1.300     1.300 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.38650E-02 ppm1      4.773 ppm2      1.642 CV     1
 ASSI { 3072}
   (( segid "B   " and resid 8    and name HA  ))
   (  segid "A   " and resid 75   and name HB% )
      3.300     1.300     1.300 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.38650E-02 ppm1      4.773 ppm2      1.642 CV     1
 ASSI { 3078}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.19423E-02 ppm1      3.857 ppm2      7.972 CV     1
 ASSI { 3078}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.19423E-02 ppm1      3.857 ppm2      7.972 CV     1
 ASSI { 3079}
   (( segid "A   " and resid 8    and name HA  ))
   (  segid "A   " and resid 11   and name HD% )
      3.700     1.700     1.700 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.11986E-02 ppm1      4.773 ppm2      7.385 CV     1
 ASSI { 3079}
   (( segid "B   " and resid 8    and name HA  ))
   (  segid "B   " and resid 11   and name HD% )
      3.700     1.700     1.700 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.11986E-02 ppm1      4.773 ppm2      7.385 CV     1
 ASSI { 3085}
   (( segid "A   " and resid 118  and name HA  ))
   (  segid "A   " and resid 121  and name HD1%)
      3.600     1.600     1.600 peak  3085 spectrum    1 weight  0.10000E+01 volume  0.16972E-02 ppm1      4.391 ppm2      1.016 CV     1
 OR { 3085}
   (( segid "A   " and resid 118  and name HA  ))
   (  segid "A   " and resid 121  and name HD2%)
 ASSI { 3085}
   (( segid "B   " and resid 118  and name HA  ))
   (  segid "B   " and resid 121  and name HD1%)
      3.600     1.600     1.600 peak  3085 spectrum    1 weight  0.10000E+01 volume  0.16972E-02 ppm1      4.391 ppm2      1.016 CV     1
 OR { 3085}
   (( segid "B   " and resid 118  and name HA  ))
   (  segid "B   " and resid 121  and name HD2%)
 ASSI { 3099}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "B   " and resid 105  and name HB3 ))
      3.400     1.400     1.400 peak  3099 spectrum    1 weight  0.10000E+01 volume  0.11252E-02 ppm1      4.976 ppm2      3.478 CV     1
 ASSI { 3099}
   (( segid "B   " and resid 7    and name HA  ))
   (( segid "A   " and resid 105  and name HB3 ))
      3.400     1.400     1.400 peak  3099 spectrum    1 weight  0.10000E+01 volume  0.11252E-02 ppm1      4.976 ppm2      3.478 CV     1
 ASSI { 3103}
   (( segid "A   " and resid 85   and name HA  ))
   (( segid "A   " and resid 85   and name HB  ))
      2.900     1.000     1.000 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.14604E-02 ppm1      5.256 ppm2      1.954 CV     1
 ASSI { 3103}
   (( segid "B   " and resid 85   and name HA  ))
   (( segid "B   " and resid 85   and name HB  ))
      2.900     1.000     1.000 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.14604E-02 ppm1      5.256 ppm2      1.954 CV     1
 ASSI { 3113}
   (( segid "A   " and resid 59   and name HA  ))
   (( segid "A   " and resid 59   and name HB  ))
      2.300     0.700     0.700 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.56012E-02 ppm1      4.659 ppm2      2.462 CV     1
 ASSI { 3113}
   (( segid "B   " and resid 59   and name HA  ))
   (( segid "B   " and resid 59   and name HB  ))
      2.300     0.700     0.700 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.56012E-02 ppm1      4.659 ppm2      2.462 CV     1
 ASSI { 3116}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 51   and name HG  ))
      2.400     0.700     0.700 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.47480E-02 ppm1      3.794 ppm2      1.290 CV     1
 OR { 3116}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 51   and name HB2 ))
 ASSI { 3116}
   (( segid "B   " and resid 51   and name HA  ))
   (( segid "B   " and resid 51   and name HG  ))
      2.400     0.700     0.700 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.47480E-02 ppm1      3.794 ppm2      1.290 CV     1
 OR { 3116}
   (( segid "B   " and resid 51   and name HA  ))
   (( segid "B   " and resid 51   and name HB2 ))
 ASSI { 3118}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 51   and name HB3 ))
      2.600     0.800     0.800 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.37832E-02 ppm1      3.794 ppm2      1.485 CV     1
 ASSI { 3118}
   (( segid "B   " and resid 51   and name HA  ))
   (( segid "B   " and resid 51   and name HB3 ))
      2.600     0.800     0.800 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.37832E-02 ppm1      3.794 ppm2      1.485 CV     1
 ASSI { 3126}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 74   and name HB3 ))
      2.900     1.000     1.000 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.26377E-02 ppm1      3.476 ppm2      1.642 CV     1
 ASSI { 3126}
   (( segid "B   " and resid 74   and name HA  ))
   (( segid "B   " and resid 74   and name HB3 ))
      2.900     1.000     1.000 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.26377E-02 ppm1      3.476 ppm2      1.642 CV     1
 ASSI { 3135}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HG3 ))
      3.200     1.200     1.200 peak  3135 spectrum    1 weight  0.10000E+01 volume  0.46838E-02 ppm1      4.188 ppm2      1.446 CV     1
 ASSI { 3135}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 6    and name HG3 ))
      3.100     1.200     1.200 peak  3135 spectrum    1 weight  0.10000E+01 volume  0.46838E-02 ppm1      4.188 ppm2      1.446 CV     1
 ASSI { 3137}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HD3 ))
      2.300     0.700     0.700 peak  3137 spectrum    1 weight  0.10000E+01 volume  0.99064E-02 ppm1      4.188 ppm2      1.602 CV     1
 OR { 3137}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HD2 ))
 ASSI { 3137}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 6    and name HD3 ))
      2.300     0.700     0.700 peak  3137 spectrum    1 weight  0.10000E+01 volume  0.99064E-02 ppm1      4.188 ppm2      1.602 CV     1
 OR { 3137}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 6    and name HD2 ))
 ASSI { 3139}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 8    and name HA  ))
      4.700     2.800     1.300 peak  3139 spectrum    1 weight  0.10000E+01 volume  0.82769E-03 ppm1      4.188 ppm2      4.767 CV     1
 ASSI { 3139}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 8    and name HA  ))
      4.700     2.800     1.300 peak  3139 spectrum    1 weight  0.10000E+01 volume  0.82769E-03 ppm1      4.188 ppm2      4.767 CV     1
 ASSI { 3141}
   (( segid "A   " and resid 107  and name HA  ))
   (( segid "A   " and resid 107  and name HB3 ))
      3.100     1.200     1.200 peak  3141 spectrum    1 weight  0.10000E+01 volume  0.12404E-02 ppm1      4.709 ppm2      2.931 CV     1
 ASSI { 3141}
   (( segid "B   " and resid 107  and name HA  ))
   (( segid "B   " and resid 107  and name HB3 ))
      3.100     1.200     1.200 peak  3141 spectrum    1 weight  0.10000E+01 volume  0.12404E-02 ppm1      4.709 ppm2      2.931 CV     1
 ASSI { 3143}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 60   and name HD2 ))
      3.100     1.200     1.200 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.56234E-02 ppm1      4.035 ppm2      1.681 CV     1
 OR { 3143}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 60   and name HD3 ))
 ASSI { 3143}
   (( segid "B   " and resid 60   and name HA  ))
   (( segid "B   " and resid 60   and name HD2 ))
      3.100     1.200     1.200 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.56234E-02 ppm1      4.035 ppm2      1.681 CV     1
 OR { 3143}
   (( segid "B   " and resid 60   and name HA  ))
   (( segid "B   " and resid 60   and name HD3 ))
 ASSI { 3144}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 60   and name HG2 ))
      3.000     1.100     1.100 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.87689E-02 ppm1      4.035 ppm2      1.446 CV     1
 ASSI { 3144}
   (( segid "B   " and resid 60   and name HA  ))
   (( segid "B   " and resid 60   and name HG2 ))
      3.000     1.100     1.100 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.87689E-02 ppm1      4.035 ppm2      1.446 CV     1
 ASSI { 3146}
   (( segid "A   " and resid 107  and name HA  ))
   (( segid "A   " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.11280E-02 ppm1      4.697 ppm2      3.556 CV     1
 ASSI { 3146}
   (( segid "B   " and resid 107  and name HA  ))
   (( segid "B   " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.11280E-02 ppm1      4.697 ppm2      3.556 CV     1
 ASSI { 3149}
   (( segid "A   " and resid 104  and name HA  ))
   (( segid "A   " and resid 104  and name HG2 ))
      2.200     0.600     0.600 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.85766E-02 ppm1      4.124 ppm2      2.306 CV     1
 ASSI { 3149}
   (( segid "B   " and resid 104  and name HA  ))
   (( segid "B   " and resid 104  and name HG2 ))
      2.200     0.600     0.600 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.85766E-02 ppm1      4.124 ppm2      2.306 CV     1
 ASSI { 3150}
   (( segid "A   " and resid 107  and name HA  ))
   (  segid "A   " and resid 107  and name HD% )
      3.200     1.300     1.300 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.13332E-02 ppm1      4.697 ppm2      7.581 CV     1
 ASSI { 3150}
   (( segid "B   " and resid 107  and name HA  ))
   (  segid "B   " and resid 107  and name HD% )
      3.200     1.300     1.300 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.13332E-02 ppm1      4.697 ppm2      7.581 CV     1
 ASSI { 3152}
   (( segid "A   " and resid 104  and name HA  ))
   (( segid "A   " and resid 104  and name HG3 ))
      3.400     1.400     1.400 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.44964E-02 ppm1      4.112 ppm2      2.579 CV     1
 ASSI { 3152}
   (( segid "B   " and resid 104  and name HA  ))
   (( segid "B   " and resid 104  and name HG3 ))
      3.400     1.400     1.400 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.44964E-02 ppm1      4.112 ppm2      2.579 CV     1
 ASSI { 3155}
   (( segid "A   " and resid 45   and name HA  ))
   (  segid "A   " and resid 45   and name HG2%)
      3.600     1.700     1.700 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.11615E-02 ppm1      5.625 ppm2      0.665 CV     1
 ASSI { 3155}
   (( segid "B   " and resid 45   and name HA  ))
   (  segid "B   " and resid 45   and name HG2%)
      3.600     1.700     1.700 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.11615E-02 ppm1      5.625 ppm2      0.665 CV     1
 ASSI { 3156}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HB2 ))
      2.200     0.600     0.600 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.12803E-01 ppm1      4.175 ppm2      2.071 CV     1
 OR { 3156}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 5    and name HB3 ))
 ASSI { 3156}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 5    and name HB2 ))
      2.200     0.600     0.600 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.12803E-01 ppm1      4.175 ppm2      2.071 CV     1
 OR { 3156}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 5    and name HB3 ))
 ASSI { 3161}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.48538E-02 ppm1      4.023 ppm2      1.993 CV     1
 ASSI { 3161}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.48538E-02 ppm1      4.023 ppm2      1.993 CV     1
 ASSI { 3163}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 14   and name HG3 ))
      3.500     1.500     1.500 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.30508E-02 ppm1      4.023 ppm2      2.853 CV     1
 ASSI { 3163}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HG3 ))
      3.500     1.500     1.500 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.30508E-02 ppm1      4.023 ppm2      2.853 CV     1
 ASSI { 3166}
   (( segid "A   " and resid 103  and name HA  ))
   (( segid "A   " and resid 103  and name HG3 ))
      2.900     1.100     1.100 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.30583E-02 ppm1      4.531 ppm2      1.915 CV     1
 ASSI { 3166}
   (( segid "B   " and resid 103  and name HA  ))
   (( segid "B   " and resid 103  and name HG3 ))
      2.900     1.100     1.100 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.30583E-02 ppm1      4.531 ppm2      1.915 CV     1
 ASSI { 3167}
   (( segid "A   " and resid 103  and name HA  ))
   (( segid "A   " and resid 103  and name HG2 ))
      3.300     1.400     1.400 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.21781E-02 ppm1      4.531 ppm2      1.759 CV     1
 ASSI { 3167}
   (( segid "B   " and resid 103  and name HA  ))
   (( segid "B   " and resid 103  and name HG2 ))
      3.300     1.400     1.400 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.21781E-02 ppm1      4.531 ppm2      1.759 CV     1
 ASSI { 3169}
   (( segid "A   " and resid 103  and name HA  ))
   (( segid "A   " and resid 103  and name HB2 ))
      2.600     0.800     0.800 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.28187E-02 ppm1      4.544 ppm2      1.993 CV     1
 ASSI { 3169}
   (( segid "B   " and resid 103  and name HA  ))
   (( segid "B   " and resid 103  and name HB2 ))
      2.600     0.800     0.800 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.28187E-02 ppm1      4.544 ppm2      1.993 CV     1
 ASSI { 3172}
   (( segid "A   " and resid 43   and name HA  ))
   (  segid "A   " and resid 43   and name HG2%)
      2.700     0.900     0.900 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.28130E-02 ppm1      4.353 ppm2      0.508 CV     1
 ASSI { 3172}
   (( segid "B   " and resid 43   and name HA  ))
   (  segid "B   " and resid 43   and name HG2%)
      2.700     0.900     0.900 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.28130E-02 ppm1      4.353 ppm2      0.508 CV     1
 ASSI { 3173}
   (( segid "A   " and resid 86   and name HA  ))
   (( segid "A   " and resid 111  and name HN  ))
      2.600     0.800     0.800 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.15950E-02 ppm1      4.849 ppm2      9.105 CV     1
 ASSI { 3173}
   (( segid "B   " and resid 86   and name HA  ))
   (( segid "B   " and resid 111  and name HN  ))
      2.600     0.800     0.800 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.15950E-02 ppm1      4.849 ppm2      9.105 CV     1
 ASSI { 3175}
   (( segid "A   " and resid 103  and name HA  ))
   (( segid "A   " and resid 103  and name HB3 ))
      2.500     0.800     0.800 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.24575E-02 ppm1      4.531 ppm2      2.110 CV     1
 ASSI { 3175}
   (( segid "B   " and resid 103  and name HA  ))
   (( segid "B   " and resid 103  and name HB3 ))
      2.500     0.800     0.800 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.24575E-02 ppm1      4.531 ppm2      2.110 CV     1
 ASSI { 3178}
   (( segid "A   " and resid 70   and name HA  ))
   (( segid "A   " and resid 70   and name HB3 ))
      2.800     1.000     1.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.23015E-02 ppm1      3.272 ppm2      1.642 CV     1
 ASSI { 3178}
   (( segid "B   " and resid 70   and name HA  ))
   (( segid "B   " and resid 70   and name HB3 ))
      2.800     1.000     1.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.23015E-02 ppm1      3.272 ppm2      1.642 CV     1
 ASSI { 3185}
   (( segid "A   " and resid 70   and name HA  ))
   (( segid "A   " and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.14873E-02 ppm1      3.285 ppm2      1.446 CV     1
 ASSI { 3185}
   (( segid "B   " and resid 70   and name HA  ))
   (( segid "B   " and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.14873E-02 ppm1      3.285 ppm2      1.446 CV     1
 ASSI { 3186}
   (( segid "A   " and resid 105  and name HA  ))
   (( segid "A   " and resid 105  and name HB3 ))
      3.000     1.100     1.100 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.13731E-02 ppm1      4.328 ppm2      3.478 CV     1
 ASSI { 3186}
   (( segid "B   " and resid 105  and name HA  ))
   (( segid "B   " and resid 105  and name HB3 ))
      3.000     1.100     1.100 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.13731E-02 ppm1      4.328 ppm2      3.478 CV     1
 ASSI { 3188}
   (( segid "A   " and resid 105  and name HA  ))
   (( segid "A   " and resid 105  and name HN  ))
      2.900     1.100     1.100 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.20490E-02 ppm1      4.315 ppm2      8.089 CV     1
 ASSI { 3188}
   (( segid "B   " and resid 105  and name HA  ))
   (( segid "B   " and resid 105  and name HN  ))
      2.900     1.100     1.100 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.20490E-02 ppm1      4.315 ppm2      8.089 CV     1
 ASSI { 3190}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 16   and name HB3 ))
      2.200     0.600     0.600 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.11354E-01 ppm1      3.781 ppm2      1.837 CV     1
 OR { 3190}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 16   and name HB2 ))
 ASSI { 3190}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name HB3 ))
      2.200     0.600     0.600 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.11354E-01 ppm1      3.781 ppm2      1.837 CV     1
 OR { 3190}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name HB2 ))
 ASSI { 3193}
   (( segid "A   " and resid 16   and name HA  ))
   (  segid "A   " and resid 15   and name HG1%)
      3.200     1.300     1.300 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.13750E-02 ppm1      3.794 ppm2      0.782 CV     1
 ASSI { 3193}
   (( segid "B   " and resid 16   and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
      3.200     1.300     1.300 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.13750E-02 ppm1      3.794 ppm2      0.782 CV     1
 ASSI { 3197}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HB3 ))
      3.100     1.200     1.200 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.11587E-02 ppm1      4.900 ppm2      3.595 CV     1
 ASSI { 3197}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "B   " and resid 11   and name HB3 ))
      3.100     1.200     1.200 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.11587E-02 ppm1      4.900 ppm2      3.595 CV     1
 ASSI { 3202}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.900     1.100     1.100 peak  3202 spectrum    1 weight  0.10000E+01 volume  0.13369E-02 ppm1      4.913 ppm2      3.361 CV     1
 ASSI { 3202}
   (( segid "B   " and resid 11   and name HA  ))
   (( segid "B   " and resid 11   and name HB2 ))
      2.900     1.100     1.100 peak  3202 spectrum    1 weight  0.10000E+01 volume  0.13369E-02 ppm1      4.913 ppm2      3.361 CV     1
 ASSI { 3203}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 16   and name HG3 ))
      3.000     1.100     1.100 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.63607E-02 ppm1      3.768 ppm2      1.485 CV     1
 ASSI { 3203}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name HG3 ))
      3.000     1.100     1.100 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.63607E-02 ppm1      3.768 ppm2      1.485 CV     1
 ASSI { 3205}
   (( segid "A   " and resid 11   and name HA  ))
   (  segid "A   " and resid 11   and name HD% )
      2.800     1.000     1.000 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.23898E-02 ppm1      4.900 ppm2      7.385 CV     1
 ASSI { 3205}
   (( segid "B   " and resid 11   and name HA  ))
   (  segid "B   " and resid 11   and name HD% )
      2.800     1.000     1.000 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.23898E-02 ppm1      4.900 ppm2      7.385 CV     1
 ASSI { 3212}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 77   and name HB3 ))
      2.500     0.800     0.800 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.40553E-02 ppm1      4.086 ppm2      3.673 CV     1
 OR { 3212}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 77   and name HB2 ))
 ASSI { 3212}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 77   and name HB3 ))
      2.500     0.800     0.800 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.40553E-02 ppm1      4.086 ppm2      3.673 CV     1
 OR { 3212}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 77   and name HB2 ))
 ASSI { 3217}
   (( segid "A   " and resid 87   and name HA  ))
   (  segid "A   " and resid 43   and name HD1%)
      4.000     2.000     2.000 peak  3217 spectrum    1 weight  0.10000E+01 volume  0.78469E-03 ppm1      4.900 ppm2      0.469 CV     1
 ASSI { 3217}
   (( segid "B   " and resid 87   and name HA  ))
   (  segid "B   " and resid 43   and name HD1%)
      4.000     2.000     2.000 peak  3217 spectrum    1 weight  0.10000E+01 volume  0.78469E-03 ppm1      4.900 ppm2      0.469 CV     1
 ASSI { 3218}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 63   and name HE3 ))
      4.500     2.500     1.500 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.10222E-02 ppm1      4.086 ppm2      3.009 CV     1
 OR { 3218}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 63   and name HE2 ))
 ASSI { 3218}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 63   and name HE3 ))
      4.500     2.500     1.500 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.10222E-02 ppm1      4.086 ppm2      3.009 CV     1
 OR { 3218}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 63   and name HE2 ))
 ASSI { 3224}
   (( segid "A   " and resid 40   and name HA  ))
   (  segid "A   " and resid 40   and name HG2%)
      2.400     0.700     0.700 peak  3224 spectrum    1 weight  0.10000E+01 volume  0.40293E-02 ppm1      4.277 ppm2      0.665 CV     1
 ASSI { 3224}
   (( segid "B   " and resid 40   and name HA  ))
   (  segid "B   " and resid 40   and name HG2%)
      2.400     0.700     0.700 peak  3224 spectrum    1 weight  0.10000E+01 volume  0.40293E-02 ppm1      4.277 ppm2      0.665 CV     1
 ASSI { 3228}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HB  ))
      2.900     1.000     1.000 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.20091E-02 ppm1      4.277 ppm2      1.837 CV     1
 ASSI { 3228}
   (( segid "B   " and resid 40   and name HA  ))
   (( segid "B   " and resid 40   and name HB  ))
      2.900     1.000     1.000 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.20091E-02 ppm1      4.277 ppm2      1.837 CV     1
 ASSI { 3253}
   (( segid "A   " and resid 84   and name HA  ))
   (( segid "A   " and resid 84   and name HB2 ))
      3.300     1.400     1.400 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.81515E-03 ppm1      5.091 ppm2      1.915 CV     1
 ASSI { 3253}
   (( segid "B   " and resid 84   and name HA  ))
   (( segid "B   " and resid 84   and name HB2 ))
      3.300     1.400     1.400 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.81515E-03 ppm1      5.091 ppm2      1.915 CV     1
 ASSI { 3257}
   (( segid "A   " and resid 84   and name HA  ))
   (( segid "A   " and resid 84   and name HB3 ))
      2.800     1.000     1.000 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.12664E-02 ppm1      5.078 ppm2      2.423 CV     1
 ASSI { 3257}
   (( segid "B   " and resid 84   and name HA  ))
   (( segid "B   " and resid 84   and name HB3 ))
      2.800     1.000     1.000 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.12664E-02 ppm1      5.078 ppm2      2.423 CV     1
 ASSI { 3258}
   (( segid "A   " and resid 26   and name HB3 ))
   (( segid "A   " and resid 26   and name HB2 ))
      1.900     0.400     0.400 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.94791E-02 ppm1      4.302 ppm2      4.064 CV     1
 ASSI { 3258}
   (( segid "B   " and resid 26   and name HB3 ))
   (( segid "B   " and resid 26   and name HB2 ))
      1.900     0.400     0.400 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.94791E-02 ppm1      4.302 ppm2      4.064 CV     1
 ASSI { 3260}
   (( segid "A   " and resid 84   and name HA  ))
   (( segid "A   " and resid 84   and name HG2 ))
      3.700     1.800     1.800 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.86630E-03 ppm1      5.091 ppm2      2.032 CV     1
 ASSI { 3260}
   (( segid "B   " and resid 84   and name HA  ))
   (( segid "B   " and resid 84   and name HG2 ))
      3.700     1.800     1.800 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.86630E-03 ppm1      5.091 ppm2      2.032 CV     1
 ASSI { 3266}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 127  and name HA  ))
      2.900     1.000     1.000 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.20425E-02 ppm1      3.997 ppm2      5.158 CV     1
 ASSI { 3266}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 127  and name HA  ))
      2.900     1.000     1.000 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.20425E-02 ppm1      3.997 ppm2      5.158 CV     1
 ASSI { 3267}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 127  and name HB2 ))
      3.800     1.800     1.800 peak  3267 spectrum    1 weight  0.10000E+01 volume  0.11289E-02 ppm1      3.997 ppm2      3.712 CV     1
 OR { 3267}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 127  and name HB3 ))
 ASSI { 3267}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 127  and name HB2 ))
      3.800     1.800     1.800 peak  3267 spectrum    1 weight  0.10000E+01 volume  0.11289E-02 ppm1      3.997 ppm2      3.712 CV     1
 OR { 3267}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 127  and name HB3 ))
 ASSI { 3269}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 57   and name HB2 ))
      2.900     1.000     1.000 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.23229E-02 ppm1      4.010 ppm2      0.235 CV     1
 ASSI { 3269}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 57   and name HB2 ))
      2.900     1.000     1.000 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.23229E-02 ppm1      4.010 ppm2      0.235 CV     1
 ASSI { 3270}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 57   and name HB3 ))
      2.600     0.800     0.800 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.15662E-02 ppm1      4.010 ppm2      0.782 CV     1
 ASSI { 3270}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 57   and name HB3 ))
      2.600     0.800     0.800 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.15662E-02 ppm1      4.010 ppm2      0.782 CV     1
 ASSI { 3274}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 31   and name HB2 ))
      2.900     1.000     1.000 peak  3274 spectrum    1 weight  0.10000E+01 volume  0.10426E-02 ppm1      4.124 ppm2      2.736 CV     1
 ASSI { 3274}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 31   and name HB2 ))
      2.900     1.000     1.000 peak  3274 spectrum    1 weight  0.10000E+01 volume  0.10426E-02 ppm1      4.124 ppm2      2.736 CV     1
 ASSI { 3278}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 31   and name HB3 ))
      3.500     1.500     1.500 peak  3278 spectrum    1 weight  0.10000E+01 volume  0.98598E-03 ppm1      4.124 ppm2      2.892 CV     1
 ASSI { 3278}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 31   and name HB3 ))
      3.500     1.500     1.500 peak  3278 spectrum    1 weight  0.10000E+01 volume  0.98598E-03 ppm1      4.124 ppm2      2.892 CV     1
 ASSI { 3288}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HD3 ))
      3.400     1.400     1.400 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.10454E-02 ppm1      4.620 ppm2      3.830 CV     1
 ASSI { 3288}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HD3 ))
      3.400     1.400     1.400 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.10454E-02 ppm1      4.620 ppm2      3.830 CV     1
 ASSI { 3289}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HB2 ))
      2.500     0.800     0.800 peak  3289 spectrum    1 weight  0.10000E+01 volume  0.86435E-02 ppm1      4.620 ppm2      1.993 CV     1
 OR { 3289}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HG3 ))
 ASSI { 3289}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HB2 ))
      2.500     0.800     0.800 peak  3289 spectrum    1 weight  0.10000E+01 volume  0.86435E-02 ppm1      4.620 ppm2      1.993 CV     1
 OR { 3289}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HG3 ))
 ASSI { 3290}
   (( segid "A   " and resid 113  and name HB2 ))
   (( segid "A   " and resid 113  and name HA  ))
      2.600     0.900     0.900 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.12775E-02 ppm1      3.387 ppm2      4.728 CV     1
 ASSI { 3290}
   (( segid "B   " and resid 113  and name HB2 ))
   (( segid "B   " and resid 113  and name HA  ))
      2.600     0.900     0.900 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.12775E-02 ppm1      3.387 ppm2      4.728 CV     1
 ASSI { 3291}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HB3 ))
      2.100     0.600     0.600 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.80606E-02 ppm1      4.620 ppm2      2.345 CV     1
 ASSI { 3291}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 38   and name HB3 ))
      2.100     0.600     0.600 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.80606E-02 ppm1      4.620 ppm2      2.345 CV     1
 ASSI { 3293}
   (( segid "A   " and resid 81   and name HA  ))
   (  segid "A   " and resid 107  and name HE% )
      3.400     1.500     1.500 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.90789E-03 ppm1      3.539 ppm2      7.073 CV     1
 ASSI { 3293}
   (( segid "B   " and resid 81   and name HA  ))
   (  segid "B   " and resid 107  and name HE% )
      3.400     1.500     1.500 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.90789E-03 ppm1      3.539 ppm2      7.073 CV     1
 ASSI { 3301}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 60   and name HD3 ))
      4.000     2.000     2.000 peak  3301 spectrum    1 weight  0.10000E+01 volume  0.92528E-03 ppm1      4.620 ppm2      1.681 CV     1
 OR { 3301}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 60   and name HD2 ))
 ASSI { 3301}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 60   and name HD3 ))
      4.000     2.000     2.000 peak  3301 spectrum    1 weight  0.10000E+01 volume  0.92528E-03 ppm1      4.620 ppm2      1.681 CV     1
 OR { 3301}
   (( segid "B   " and resid 38   and name HA  ))
   (( segid "B   " and resid 60   and name HD2 ))
 ASSI { 3302}
   (( segid "A   " and resid 81   and name HA  ))
   (( segid "A   " and resid 81   and name HB3 ))
      2.600     0.800     0.800 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.27732E-02 ppm1      3.539 ppm2      1.720 CV     1
 ASSI { 3302}
   (( segid "B   " and resid 81   and name HA  ))
   (( segid "B   " and resid 81   and name HB3 ))
      2.600     0.800     0.800 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.27732E-02 ppm1      3.539 ppm2      1.720 CV     1
 ASSI { 3303}
   (( segid "A   " and resid 81   and name HA  ))
   (( segid "A   " and resid 81   and name HB2 ))
      3.100     1.200     1.200 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.21261E-02 ppm1      3.539 ppm2      0.899 CV     1
 ASSI { 3303}
   (( segid "B   " and resid 81   and name HA  ))
   (( segid "B   " and resid 81   and name HB2 ))
      3.100     1.200     1.200 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.21261E-02 ppm1      3.539 ppm2      0.899 CV     1
 ASSI { 3304}
   (( segid "A   " and resid 113  and name HB2 ))
   (( segid "A   " and resid 113  and name HB3 ))
      2.200     0.600     0.600 peak  3304 spectrum    1 weight  0.10000E+01 volume  0.11800E-02 ppm1      3.387 ppm2      4.455 CV     1
 ASSI { 3304}
   (( segid "B   " and resid 113  and name HB2 ))
   (( segid "B   " and resid 113  and name HB3 ))
      2.200     0.600     0.600 peak  3304 spectrum    1 weight  0.10000E+01 volume  0.11800E-02 ppm1      3.387 ppm2      4.455 CV     1
 ASSI { 3309}
   (( segid "A   " and resid 126  and name HA  ))
   (( segid "A   " and resid 126  and name HB2 ))
      2.700     0.900     0.900 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.42866E-02 ppm1      4.379 ppm2      2.189 CV     1
 OR { 3309}
   (( segid "A   " and resid 126  and name HA  ))
   (( segid "A   " and resid 126  and name HG3 ))
 ASSI { 3309}
   (( segid "B   " and resid 126  and name HA  ))
   (( segid "B   " and resid 126  and name HB2 ))
      2.700     0.900     0.900 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.42866E-02 ppm1      4.379 ppm2      2.189 CV     1
 OR { 3309}
   (( segid "B   " and resid 126  and name HA  ))
   (( segid "B   " and resid 126  and name HG3 ))
 ASSI { 3310}
   (( segid "A   " and resid 126  and name HA  ))
   (( segid "A   " and resid 126  and name HG2 ))
      3.300     1.300     1.300 peak  3310 spectrum    1 weight  0.10000E+01 volume  0.26256E-02 ppm1      4.379 ppm2      1.954 CV     1
 ASSI { 3310}
   (( segid "B   " and resid 126  and name HA  ))
   (( segid "B   " and resid 126  and name HG2 ))
      3.300     1.300     1.300 peak  3310 spectrum    1 weight  0.10000E+01 volume  0.26256E-02 ppm1      4.379 ppm2      1.954 CV     1
 ASSI { 3312}
   (( segid "A   " and resid 126  and name HA  ))
   (( segid "A   " and resid 126  and name HB3 ))
      2.200     0.600     0.600 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.60133E-02 ppm1      4.379 ppm2      2.423 CV     1
 ASSI { 3312}
   (( segid "B   " and resid 126  and name HA  ))
   (( segid "B   " and resid 126  and name HB3 ))
      2.200     0.600     0.600 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.60133E-02 ppm1      4.379 ppm2      2.423 CV     1
 ASSI { 3316}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 48   and name HB3 ))
      2.600     0.900     0.900 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.28455E-02 ppm1      4.112 ppm2      2.579 CV     1
 ASSI { 3316}
   (( segid "B   " and resid 48   and name HA  ))
   (( segid "B   " and resid 48   and name HB3 ))
      2.600     0.900     0.900 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.28455E-02 ppm1      4.112 ppm2      2.579 CV     1
 ASSI { 3317}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 51   and name HB3 ))
      4.600     2.700     1.400 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.77031E-03 ppm1      4.112 ppm2      1.485 CV     1
 ASSI { 3317}
   (( segid "B   " and resid 48   and name HA  ))
   (( segid "B   " and resid 51   and name HB3 ))
      4.600     2.700     1.400 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.77031E-03 ppm1      4.112 ppm2      1.485 CV     1
 ASSI { 3320}
   (( segid "A   " and resid 48   and name HA  ))
   (  segid "A   " and resid 51   and name HD1%)
      3.100     1.200     1.200 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.14474E-02 ppm1      4.112 ppm2      0.352 CV     1
 ASSI { 3320}
   (( segid "B   " and resid 48   and name HA  ))
   (  segid "B   " and resid 51   and name HD1%)
      3.100     1.200     1.200 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.14474E-02 ppm1      4.112 ppm2      0.352 CV     1
 ASSI { 3323}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 27   and name HD2 ))
      4.000     2.000     2.000 peak  3323 spectrum    1 weight  0.10000E+01 volume  0.65380E-03 ppm1      4.569 ppm2      3.908 CV     1
 ASSI { 3323}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HD2 ))
      4.000     2.000     2.000 peak  3323 spectrum    1 weight  0.10000E+01 volume  0.65380E-03 ppm1      4.569 ppm2      3.908 CV     1
 ASSI { 3324}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 27   and name HG2 ))
      4.100     2.100     1.900 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.77478E-03 ppm1      4.557 ppm2      1.993 CV     1
 ASSI { 3324}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HG2 ))
      4.100     2.100     1.900 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.77478E-03 ppm1      4.557 ppm2      1.993 CV     1
 ASSI { 3326}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.82268E-03 ppm1      4.137 ppm2      1.329 CV     1
 ASSI { 3326}
   (( segid "B   " and resid 48   and name HA  ))
   (( segid "B   " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.82268E-03 ppm1      4.137 ppm2      1.329 CV     1
 ASSI { 3327}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 27   and name HB3 ))
      2.500     0.800     0.800 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.22254E-02 ppm1      4.569 ppm2      2.657 CV     1
 ASSI { 3327}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HB3 ))
      2.500     0.800     0.800 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.22254E-02 ppm1      4.569 ppm2      2.657 CV     1
 ASSI { 3328}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 27   and name HG3 ))
      4.300     2.300     1.700 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.70078E-03 ppm1      4.582 ppm2      2.228 CV     1
 ASSI { 3328}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HG3 ))
      4.300     2.300     1.700 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.70078E-03 ppm1      4.582 ppm2      2.228 CV     1
 ASSI { 3330}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.71711E-03 ppm1      4.582 ppm2      9.066 CV     1
 ASSI { 3330}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.71711E-03 ppm1      4.582 ppm2      9.066 CV     1
 ASSI { 3343}
   (( segid "A   " and resid 15   and name HA  ))
   (  segid "A   " and resid 15   and name HG1%)
      2.700     0.900     0.900 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.50087E-02 ppm1      3.259 ppm2      0.743 CV     1
 ASSI { 3343}
   (( segid "B   " and resid 15   and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
      2.700     0.900     0.900 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.50087E-02 ppm1      3.259 ppm2      0.743 CV     1
 ASSI { 3345}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 15   and name HB  ))
      3.200     1.300     1.300 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.14066E-02 ppm1      3.247 ppm2      1.720 CV     1
 ASSI { 3345}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
      3.200     1.300     1.300 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.14066E-02 ppm1      3.247 ppm2      1.720 CV     1
 ASSI { 3349}
   (( segid "A   " and resid 101  and name HA  ))
   (( segid "A   " and resid 102  and name HN  ))
      3.600     1.600     1.600 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.63969E-03 ppm1      4.061 ppm2      8.714 CV     1
 ASSI { 3349}
   (( segid "B   " and resid 101  and name HA  ))
   (( segid "B   " and resid 102  and name HN  ))
      3.600     1.600     1.600 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.63969E-03 ppm1      4.061 ppm2      8.714 CV     1
 ASSI { 3353}
   (( segid "A   " and resid 10   and name HB  ))
   (  segid "B   " and resid 105  and name HD% )
      3.600     1.700     1.700 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.65193E-03 ppm1      4.302 ppm2      7.464 CV     1
 ASSI { 3353}
   (( segid "B   " and resid 10   and name HB  ))
   (  segid "A   " and resid 105  and name HD% )
      3.600     1.700     1.700 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.65193E-03 ppm1      4.302 ppm2      7.464 CV     1
 ASSI { 3361}
   (( segid "A   " and resid 109  and name HB  ))
   (( segid "A   " and resid 109  and name HA  ))
      3.300     1.400     1.400 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.10417E-02 ppm1      3.705 ppm2      4.299 CV     1
 ASSI { 3361}
   (( segid "B   " and resid 109  and name HB  ))
   (( segid "B   " and resid 109  and name HA  ))
      3.300     1.400     1.400 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.10417E-02 ppm1      3.705 ppm2      4.299 CV     1
 ASSI { 3364}
   (( segid "A   " and resid 41   and name HB  ))
   (  segid "A   " and resid 43   and name HD1%)
      3.500     1.600     1.600 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.88052E-03 ppm1      3.616 ppm2      0.469 CV     1
 ASSI { 3364}
   (( segid "B   " and resid 41   and name HB  ))
   (  segid "B   " and resid 43   and name HD1%)
      3.500     1.600     1.600 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.88052E-03 ppm1      3.616 ppm2      0.469 CV     1
 ASSI { 3366}
   (( segid "A   " and resid 41   and name HB  ))
   (  segid "A   " and resid 41   and name HG2%)
      2.100     0.600     0.600 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.61963E-02 ppm1      3.603 ppm2      0.821 CV     1
 ASSI { 3366}
   (( segid "B   " and resid 41   and name HB  ))
   (  segid "B   " and resid 41   and name HG2%)
      2.100     0.600     0.600 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.61963E-02 ppm1      3.603 ppm2      0.821 CV     1
 ASSI { 1673}
   (  segid "B   " and resid 96   and name HB% )
   (  segid "B   " and resid 97   and name HD2%)
      2.200     0.600     0.600 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.10733E-01 ppm1      1.415 ppm2      0.743 CV     1
 ASSI { 1833}
   (  segid "B   " and resid 101  and name HG2%)
   (( segid "B   " and resid 100  and name HG3 ))
      3.200     1.300     1.300 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.37147E-02 ppm1      1.161 ppm2      1.524 CV     1
 ASSI { 2022}
   (  segid "B   " and resid 97   and name HD1%)
   (( segid "B   " and resid 100  and name HG2 ))
      3.000     1.100     1.100 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.27156E-02 ppm1      1.008 ppm2      1.407 CV     1
 ASSI { 2130}
   (  segid "B   " and resid 79   and name HD1%)
   (( segid "B   " and resid 74   and name HB3 ))
      3.200     1.300     1.300 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.44035E-02 ppm1      0.728 ppm2      1.642 CV     1
 ASSI { 2252}
   (  segid "B   " and resid 25   and name HD1%)
   (( segid "B   " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.19655E-02 ppm1      0.563 ppm2      3.947 CV     1
 ASSI { 3154}
   (( segid "B   " and resid 107  and name HA  ))
   (( segid "B   " and resid 81   and name HB2 ))
      3.600     1.600     1.600 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.13638E-02 ppm1      4.697 ppm2      0.899 CV     1
 ASSI { 3219}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 76   and name HB2 ))
      3.100     1.200     1.200 peak  3219 spectrum    1 weight  0.10000E+01 volume  0.18058E-02 ppm1      4.073 ppm2      1.642 CV     1
 ASSI { 3373}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 114  and name HA  ))
      2.700     0.900     0.900 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.53328E-02 ppm1      1.828 ppm2      3.845 CV     1
 ASSI { 3373}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 114  and name HA  ))
      2.700     0.900     0.900 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.53328E-02 ppm1      1.828 ppm2      3.845 CV     1
 ASSI { 3375}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 24   and name HG2 ))
      3.200     1.300     1.300 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.54812E-02 ppm1      1.828 ppm2      2.630 CV     1
 ASSI { 3375}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 24   and name HG2 ))
      3.200     1.300     1.300 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.54812E-02 ppm1      1.828 ppm2      2.630 CV     1
 ASSI { 3376}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 112  and name HD21))
      3.000     1.100     1.100 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.20048E-02 ppm1      1.828 ppm2      5.754 CV     1
 ASSI { 3376}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 112  and name HD21))
      3.000     1.100     1.100 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.20048E-02 ppm1      1.828 ppm2      5.754 CV     1
 ASSI { 3378}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 112  and name HD22))
      3.500     1.500     1.500 peak  3378 spectrum    1 weight  0.10000E+01 volume  0.16252E-02 ppm1      1.828 ppm2      6.448 CV     1
 ASSI { 3378}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 112  and name HD22))
      3.500     1.500     1.500 peak  3378 spectrum    1 weight  0.10000E+01 volume  0.16252E-02 ppm1      1.828 ppm2      6.448 CV     1
 ASSI { 3381}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.36205E-02 ppm1      1.828 ppm2      8.879 CV     1
 ASSI { 3381}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.36205E-02 ppm1      1.828 ppm2      8.879 CV     1
 ASSI { 3384}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 114  and name HN  ))
      3.300     1.400     1.400 peak  3384 spectrum    1 weight  0.10000E+01 volume  0.19491E-02 ppm1      1.828 ppm2      9.963 CV     1
 ASSI { 3384}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 114  and name HN  ))
      3.300     1.400     1.400 peak  3384 spectrum    1 weight  0.10000E+01 volume  0.19491E-02 ppm1      1.828 ppm2      9.963 CV     1
 ASSI { 3387}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.16942E-02 ppm1      0.788 ppm2      7.447 CV     1
 ASSI { 3387}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.16942E-02 ppm1      0.788 ppm2      7.447 CV     1
 ASSI { 3388}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 33   and name HG  ))
      4.100     2.100     1.900 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.17146E-02 ppm1      0.788 ppm2      1.241 CV     1
 ASSI { 3388}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 33   and name HG  ))
      4.100     2.100     1.900 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.17146E-02 ppm1      0.788 ppm2      1.241 CV     1
 ASSI { 3392}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 41   and name HN  ))
      5.200     3.400     0.800 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.76138E-03 ppm1      0.788 ppm2      7.143 CV     1
 ASSI { 3392}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 41   and name HN  ))
      5.200     3.400     0.800 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.76138E-03 ppm1      0.788 ppm2      7.143 CV     1
 ASSI { 3416}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 85   and name HA  ))
      4.300     2.300     1.700 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.10048E-02 ppm1      0.461 ppm2      5.233 CV     1
 ASSI { 3416}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 85   and name HA  ))
      4.300     2.300     1.700 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.10048E-02 ppm1      0.461 ppm2      5.233 CV     1
 ASSI { 3419}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      0.461 ppm2      5.060 CV     1
 ASSI { 3419}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.10675E-02 ppm1      0.461 ppm2      5.060 CV     1
 ASSI { 3422}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 111  and name HN  ))
      4.000     2.000     2.000 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.19491E-02 ppm1      0.765 ppm2      9.096 CV     1
 ASSI { 3422}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 111  and name HN  ))
      4.000     2.000     2.000 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.19491E-02 ppm1      0.765 ppm2      9.096 CV     1
 ASSI { 3423}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 103  and name HN  ))
      2.600     0.800     0.800 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.38950E-02 ppm1      0.765 ppm2      8.184 CV     1
 ASSI { 3423}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 103  and name HN  ))
      2.600     0.800     0.800 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.38950E-02 ppm1      0.765 ppm2      8.184 CV     1
 ASSI { 3437}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 99   and name HA1 ))
      2.500     0.800     0.800 peak  3437 spectrum    1 weight  0.10000E+01 volume  0.24221E-02 ppm1      0.765 ppm2      3.541 CV     1
 OR { 3437}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 99   and name HA2 ))
 ASSI { 3437}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 99   and name HA1 ))
      2.500     0.800     0.800 peak  3437 spectrum    1 weight  0.10000E+01 volume  0.24221E-02 ppm1      0.765 ppm2      3.541 CV     1
 OR { 3437}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 99   and name HA2 ))
 ASSI { 3456}
   (  segid "A   " and resid 30   and name HB% )
   (  segid "A   " and resid 125  and name HD2%)
      4.700     2.800     1.300 peak  3456 spectrum    1 weight  0.10000E+01 volume  0.61619E-03 ppm1      1.641 ppm2      0.113 CV     1
 ASSI { 3456}
   (  segid "B   " and resid 30   and name HB% )
   (  segid "B   " and resid 125  and name HD2%)
      4.700     2.800     1.300 peak  3456 spectrum    1 weight  0.10000E+01 volume  0.61619E-03 ppm1      1.641 ppm2      0.113 CV     1
 ASSI { 3458}
   (  segid "A   " and resid 30   and name HB% )
   (( segid "A   " and resid 29   and name HB3 ))
      4.300     2.300     1.700 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.81415E-03 ppm1      1.630 ppm2      2.977 CV     1
 ASSI { 3458}
   (  segid "B   " and resid 30   and name HB% )
   (( segid "B   " and resid 29   and name HB3 ))
      4.300     2.300     1.700 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.81415E-03 ppm1      1.630 ppm2      2.977 CV     1
 ASSI { 3459}
   (  segid "A   " and resid 30   and name HB% )
   (  segid "A   " and resid 86   and name HG2%)
      2.700     0.900     0.900 peak  3459 spectrum    1 weight  0.10000E+01 volume  0.35901E-02 ppm1      1.630 ppm2      0.851 CV     1
 ASSI { 3459}
   (  segid "B   " and resid 30   and name HB% )
   (  segid "B   " and resid 86   and name HG2%)
      2.700     0.900     0.900 peak  3459 spectrum    1 weight  0.10000E+01 volume  0.35901E-02 ppm1      1.630 ppm2      0.851 CV     1
 ASSI { 3477}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 43   and name HB  ))
      2.200     0.600     0.600 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.72420E-02 ppm1      0.496 ppm2      1.588 CV     1
 ASSI { 3477}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 43   and name HB  ))
      2.200     0.600     0.600 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.72420E-02 ppm1      0.496 ppm2      1.588 CV     1
 ASSI { 3478}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 42   and name HA  ))
      4.600     2.600     1.400 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.11820E-02 ppm1      0.496 ppm2      5.060 CV     1
 ASSI { 3478}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 42   and name HA  ))
      4.600     2.600     1.400 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.11820E-02 ppm1      0.496 ppm2      5.060 CV     1
 ASSI { 3483}
   (  segid "A   " and resid 95   and name HB% )
   (  segid "A   " and resid 87   and name HG2%)
      2.300     0.700     0.700 peak  3483 spectrum    1 weight  0.10000E+01 volume  0.50176E-02 ppm1      1.150 ppm2      0.807 CV     1
 ASSI { 3483}
   (  segid "B   " and resid 95   and name HB% )
   (  segid "B   " and resid 87   and name HG2%)
      2.300     0.700     0.700 peak  3483 spectrum    1 weight  0.10000E+01 volume  0.50176E-02 ppm1      1.150 ppm2      0.807 CV     1
 ASSI { 3486}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 112  and name HD21))
      4.500     2.500     1.500 peak  3486 spectrum    1 weight  0.10000E+01 volume  0.61281E-03 ppm1      1.150 ppm2      5.711 CV     1
 ASSI { 3486}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 112  and name HD21))
      4.500     2.500     1.500 peak  3486 spectrum    1 weight  0.10000E+01 volume  0.61281E-03 ppm1      1.150 ppm2      5.711 CV     1
 ASSI { 3489}
   (  segid "A   " and resid 13   and name HB% )
   (( segid "A   " and resid 14   and name HG3 ))
      3.600     1.600     1.600 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.13044E-02 ppm1      1.536 ppm2      2.890 CV     1
 ASSI { 3489}
   (  segid "B   " and resid 13   and name HB% )
   (( segid "B   " and resid 14   and name HG3 ))
      3.600     1.600     1.600 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.13044E-02 ppm1      1.536 ppm2      2.890 CV     1
 ASSI { 3492}
   (  segid "A   " and resid 13   and name HB% )
   (( segid "A   " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.61909E-02 ppm1      1.548 ppm2      8.531 CV     1
 ASSI { 3492}
   (  segid "B   " and resid 13   and name HB% )
   (( segid "B   " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.61909E-02 ppm1      1.548 ppm2      8.531 CV     1
 ASSI { 3499}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 112  and name HD22))
      3.200     1.300     1.300 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.10738E-02 ppm1      1.150 ppm2      6.448 CV     1
 ASSI { 3499}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 112  and name HD22))
      3.200     1.300     1.300 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.10738E-02 ppm1      1.150 ppm2      6.448 CV     1
 ASSI { 3504}
   (  segid "A   " and resid 9    and name HB% )
   (( segid "A   " and resid 8    and name HA  ))
      4.200     2.200     1.800 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.19178E-02 ppm1      1.618 ppm2      4.756 CV     1
 ASSI { 3504}
   (  segid "B   " and resid 9    and name HB% )
   (( segid "B   " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.19178E-02 ppm1      1.618 ppm2      4.756 CV     1
 ASSI { 3505}
   (  segid "A   " and resid 9    and name HB% )
   (( segid "A   " and resid 8    and name HN  ))
      4.200     2.200     1.800 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.19264E-02 ppm1      1.618 ppm2      8.575 CV     1
 ASSI { 3505}
   (  segid "B   " and resid 9    and name HB% )
   (( segid "B   " and resid 8    and name HN  ))
      4.200     2.200     1.800 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.19264E-02 ppm1      1.618 ppm2      8.575 CV     1
 ASSI { 3506}
   (  segid "A   " and resid 9    and name HB% )
   (( segid "A   " and resid 8    and name HB3 ))
      3.800     1.800     1.800 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.26433E-02 ppm1      1.618 ppm2      2.890 CV     1
 OR { 3506}
   (  segid "A   " and resid 9    and name HB% )
   (( segid "A   " and resid 8    and name HB2 ))
 ASSI { 3506}
   (  segid "B   " and resid 9    and name HB% )
   (( segid "B   " and resid 8    and name HB3 ))
      3.800     1.800     1.800 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.26433E-02 ppm1      1.618 ppm2      2.890 CV     1
 OR { 3506}
   (  segid "B   " and resid 9    and name HB% )
   (( segid "B   " and resid 8    and name HB2 ))
 ASSI { 3511}
   (  segid "A   " and resid 45   and name HG2%)
   (  segid "A   " and resid 45   and name HG1%)
      2.500     0.800     0.800 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.62082E-02 ppm1      0.694 ppm2      0.851 CV     1
 ASSI { 3511}
   (  segid "B   " and resid 45   and name HG2%)
   (  segid "B   " and resid 45   and name HG1%)
      2.500     0.800     0.800 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.62082E-02 ppm1      0.694 ppm2      0.851 CV     1
 ASSI { 3526}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak  3526 spectrum    1 weight  0.10000E+01 volume  0.29216E-02 ppm1      1.501 ppm2      1.849 CV     1
 OR { 3526}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 19   and name HB3 ))
 ASSI { 3526}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak  3526 spectrum    1 weight  0.10000E+01 volume  0.29216E-02 ppm1      1.501 ppm2      1.849 CV     1
 OR { 3526}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 19   and name HB3 ))
 ASSI { 3529}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.14142E-02 ppm1      1.501 ppm2      4.973 CV     1
 ASSI { 3529}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.14142E-02 ppm1      1.501 ppm2      4.973 CV     1
 ASSI { 3531}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 20   and name HN  ))
      2.000     0.500     0.500 peak  3531 spectrum    1 weight  0.10000E+01 volume  0.19389E-01 ppm1      1.501 ppm2      7.099 CV     1
 ASSI { 3531}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 20   and name HN  ))
      2.000     0.500     0.500 peak  3531 spectrum    1 weight  0.10000E+01 volume  0.19389E-01 ppm1      1.501 ppm2      7.099 CV     1
 ASSI { 3532}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 19   and name HN  ))
      4.100     2.200     1.900 peak  3532 spectrum    1 weight  0.10000E+01 volume  0.20417E-02 ppm1      1.501 ppm2      8.445 CV     1
 ASSI { 3532}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 19   and name HN  ))
      4.100     2.200     1.900 peak  3532 spectrum    1 weight  0.10000E+01 volume  0.20417E-02 ppm1      1.501 ppm2      8.445 CV     1
 ASSI { 3534}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 100  and name HB3 ))
      3.300     1.400     1.400 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.14424E-02 ppm1      1.443 ppm2      2.196 CV     1
 ASSI { 3534}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 100  and name HB3 ))
      3.300     1.400     1.400 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.14424E-02 ppm1      1.443 ppm2      2.196 CV     1
 ASSI { 3536}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 112  and name HD21))
      3.600     1.600     1.600 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.15428E-02 ppm1      1.454 ppm2      5.754 CV     1
 ASSI { 3536}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 112  and name HD21))
      3.600     1.600     1.600 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.15428E-02 ppm1      1.454 ppm2      5.754 CV     1
 ASSI { 3537}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 100  and name HA  ))
      4.000     2.000     2.000 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.19836E-02 ppm1      1.443 ppm2      4.062 CV     1
 ASSI { 3537}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 100  and name HA  ))
      4.000     2.000     2.000 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.19836E-02 ppm1      1.443 ppm2      4.062 CV     1
 ASSI { 3540}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 112  and name HD22))
      2.900     1.100     1.100 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.16330E-02 ppm1      1.443 ppm2      6.448 CV     1
 ASSI { 3540}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 112  and name HD22))
      2.900     1.100     1.100 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.16330E-02 ppm1      1.443 ppm2      6.448 CV     1
 ASSI { 3545}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 19   and name HN  ))
      3.700     1.800     1.800 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.16150E-02 ppm1      1.454 ppm2      8.445 CV     1
 ASSI { 3545}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.16150E-02 ppm1      1.454 ppm2      8.445 CV     1
 ASSI { 3547}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 101  and name HN  ))
      4.600     2.700     1.400 peak  3547 spectrum    1 weight  0.10000E+01 volume  0.55548E-03 ppm1      1.454 ppm2      7.837 CV     1
 ASSI { 3547}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 101  and name HN  ))
      4.600     2.600     1.400 peak  3547 spectrum    1 weight  0.10000E+01 volume  0.55548E-03 ppm1      1.454 ppm2      7.837 CV     1
 ASSI { 3549}
   (  segid "A   " and resid 98   and name HB% )
   (  segid "A   " and resid 45   and name HG2%)
      2.700     0.900     0.900 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.60122E-02 ppm1      1.337 ppm2      0.677 CV     1
 ASSI { 3549}
   (  segid "B   " and resid 98   and name HB% )
   (  segid "B   " and resid 45   and name HG2%)
      2.700     0.900     0.900 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.60122E-02 ppm1      1.337 ppm2      0.677 CV     1
 ASSI { 3566}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 111  and name HA  ))
      3.700     1.700     1.700 peak  3566 spectrum    1 weight  0.10000E+01 volume  0.74083E-03 ppm1      0.800 ppm2      5.798 CV     1
 ASSI { 3566}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 111  and name HA  ))
      3.700     1.700     1.700 peak  3566 spectrum    1 weight  0.10000E+01 volume  0.74083E-03 ppm1      0.800 ppm2      5.798 CV     1
 ASSI { 3571}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 58   and name HA  ))
      4.200     2.200     1.800 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.19225E-02 ppm1      0.683 ppm2      4.409 CV     1
 ASSI { 3571}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 58   and name HA  ))
      4.200     2.200     1.800 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.19225E-02 ppm1      0.683 ppm2      4.409 CV     1
 ASSI { 3575}
   (  segid "A   " and resid 75   and name HB% )
   (( segid "A   " and resid 76   and name HG2 ))
      3.300     1.400     1.400 peak  3575 spectrum    1 weight  0.10000E+01 volume  0.16880E-02 ppm1      1.676 ppm2      1.415 CV     1
 ASSI { 3575}
   (  segid "B   " and resid 75   and name HB% )
   (( segid "B   " and resid 76   and name HG2 ))
      3.300     1.400     1.400 peak  3575 spectrum    1 weight  0.10000E+01 volume  0.16880E-02 ppm1      1.676 ppm2      1.415 CV     1
 ASSI { 3587}
   (  segid "A   " and resid 75   and name HB% )
   (( segid "A   " and resid 76   and name HN  ))
      2.800     1.000     1.000 peak  3587 spectrum    1 weight  0.10000E+01 volume  0.44184E-02 ppm1      1.676 ppm2      7.490 CV     1
 ASSI { 3587}
   (  segid "B   " and resid 75   and name HB% )
   (( segid "B   " and resid 76   and name HN  ))
      2.800     1.000     1.000 peak  3587 spectrum    1 weight  0.10000E+01 volume  0.44184E-02 ppm1      1.676 ppm2      7.490 CV     1
 ASSI { 3591}
   (  segid "A   " and resid 75   and name HB% )
   (( segid "A   " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak  3591 spectrum    1 weight  0.10000E+01 volume  0.75745E-02 ppm1      1.676 ppm2      8.271 CV     1
 ASSI { 3591}
   (  segid "B   " and resid 75   and name HB% )
   (( segid "B   " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak  3591 spectrum    1 weight  0.10000E+01 volume  0.75745E-02 ppm1      1.676 ppm2      8.271 CV     1
 ASSI { 3594}
   (  segid "A   " and resid 75   and name HB% )
   (( segid "A   " and resid 74   and name HN  ))
      4.600     2.600     1.400 peak  3594 spectrum    1 weight  0.10000E+01 volume  0.86592E-03 ppm1      1.676 ppm2      7.750 CV     1
 ASSI { 3594}
   (  segid "B   " and resid 75   and name HB% )
   (( segid "B   " and resid 74   and name HN  ))
      4.600     2.600     1.400 peak  3594 spectrum    1 weight  0.10000E+01 volume  0.86592E-03 ppm1      1.676 ppm2      7.750 CV     1
 ASSI { 3606}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 85   and name HA  ))
      3.400     1.500     1.500 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.20283E-02 ppm1      0.788 ppm2      5.277 CV     1
 ASSI { 3606}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 85   and name HA  ))
      3.400     1.500     1.500 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.20283E-02 ppm1      0.788 ppm2      5.277 CV     1
 ASSI { 3609}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 41   and name HN  ))
      5.400     3.600     0.600 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.67801E-03 ppm1      0.788 ppm2      7.143 CV     1
 ASSI { 3609}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 41   and name HN  ))
      5.400     3.600     0.600 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.67801E-03 ppm1      0.788 ppm2      7.143 CV     1
 ASSI { 3610}
   (  segid "A   " and resid 85   and name HG2%)
   (  segid "A   " and resid 74   and name HD1%)
      4.700     2.800     1.300 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.65486E-03 ppm1      0.800 ppm2     -0.061 CV     1
 ASSI { 3610}
   (  segid "B   " and resid 85   and name HG2%)
   (  segid "B   " and resid 74   and name HD1%)
      4.700     2.800     1.300 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.65486E-03 ppm1      0.800 ppm2     -0.061 CV     1
 ASSI { 3618}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 99   and name HA2 ))
      5.100     3.300     0.900 peak  3618 spectrum    1 weight  0.10000E+01 volume  0.21625E-02 ppm1      0.846 ppm2      3.541 CV     1
 OR { 3618}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 99   and name HA1 ))
 ASSI { 3618}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 99   and name HA2 ))
      5.100     3.300     0.900 peak  3618 spectrum    1 weight  0.10000E+01 volume  0.21625E-02 ppm1      0.846 ppm2      3.541 CV     1
 OR { 3618}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 99   and name HA1 ))
 ASSI { 3619}
   (  segid "A   " and resid 86   and name HG2%)
   (  segid "A   " and resid 95   and name HB% )
      4.000     2.000     2.000 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.33594E-02 ppm1      0.846 ppm2      1.111 CV     1
 ASSI { 3619}
   (  segid "B   " and resid 86   and name HG2%)
   (  segid "B   " and resid 95   and name HB% )
      4.000     2.000     2.000 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.33594E-02 ppm1      0.846 ppm2      1.111 CV     1
 ASSI { 3622}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 111  and name HA  ))
      4.500     2.500     1.500 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.85496E-03 ppm1      0.846 ppm2      5.754 CV     1
 ASSI { 3622}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 111  and name HA  ))
      4.500     2.500     1.500 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.85496E-03 ppm1      0.846 ppm2      5.754 CV     1
 ASSI { 3627}
   (  segid "A   " and resid 53   and name HB% )
   (( segid "A   " and resid 52   and name HB3 ))
      3.200     1.300     1.300 peak  3627 spectrum    1 weight  0.10000E+01 volume  0.33846E-02 ppm1      1.501 ppm2      1.805 CV     1
 ASSI { 3627}
   (  segid "B   " and resid 53   and name HB% )
   (( segid "B   " and resid 52   and name HB3 ))
      3.200     1.300     1.300 peak  3627 spectrum    1 weight  0.10000E+01 volume  0.33846E-02 ppm1      1.501 ppm2      1.805 CV     1
 ASSI { 3629}
   (  segid "A   " and resid 53   and name HB% )
   (( segid "A   " and resid 52   and name HN  ))
      4.500     2.500     1.500 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.14236E-02 ppm1      1.501 ppm2      6.926 CV     1
 ASSI { 3629}
   (  segid "B   " and resid 53   and name HB% )
   (( segid "B   " and resid 52   and name HN  ))
      4.500     2.500     1.500 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.14236E-02 ppm1      1.501 ppm2      6.926 CV     1
 ASSI { 3632}
   (  segid "A   " and resid 53   and name HB% )
   (( segid "A   " and resid 54   and name HB3 ))
      3.900     1.900     1.900 peak  3632 spectrum    1 weight  0.10000E+01 volume  0.31336E-02 ppm1      1.501 ppm2      2.109 CV     1
 ASSI { 3632}
   (  segid "B   " and resid 53   and name HB% )
   (( segid "B   " and resid 54   and name HB3 ))
      3.900     1.900     1.900 peak  3632 spectrum    1 weight  0.10000E+01 volume  0.31336E-02 ppm1      1.501 ppm2      2.109 CV     1
 ASSI { 3633}
   (  segid "A   " and resid 53   and name HB% )
   (( segid "A   " and resid 53   and name HA  ))
      2.100     0.600     0.600 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.18707E-01 ppm1      1.501 ppm2      4.235 CV     1
 ASSI { 3633}
   (  segid "B   " and resid 53   and name HB% )
   (( segid "B   " and resid 53   and name HA  ))
      2.100     0.600     0.600 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.18707E-01 ppm1      1.501 ppm2      4.235 CV     1
 ASSI { 3635}
   (  segid "A   " and resid 45   and name HG1%)
   (( segid "A   " and resid 45   and name HB  ))
      3.200     1.200     1.200 peak  3635 spectrum    1 weight  0.10000E+01 volume  0.12581E-02 ppm1      0.882 ppm2      2.326 CV     1
 ASSI { 3635}
   (  segid "B   " and resid 45   and name HG1%)
   (( segid "B   " and resid 45   and name HB  ))
      3.200     1.200     1.200 peak  3635 spectrum    1 weight  0.10000E+01 volume  0.12581E-02 ppm1      0.882 ppm2      2.326 CV     1
 ASSI { 3636}
   (  segid "A   " and resid 45   and name HG1%)
   (  segid "A   " and resid 43   and name HG2%)
      2.600     0.800     0.800 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.58538E-02 ppm1      0.882 ppm2      0.503 CV     1
 ASSI { 3636}
   (  segid "B   " and resid 45   and name HG1%)
   (  segid "B   " and resid 43   and name HG2%)
      2.600     0.800     0.800 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.58538E-02 ppm1      0.882 ppm2      0.503 CV     1
 ASSI { 3653}
   (  segid "A   " and resid 10   and name HG2%)
   (( segid "A   " and resid 7    and name HB3 ))
      5.300     3.500     0.700 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.60246E-03 ppm1      0.507 ppm2      3.411 CV     1
 ASSI { 3653}
   (  segid "B   " and resid 10   and name HG2%)
   (( segid "B   " and resid 7    and name HB3 ))
      5.300     3.500     0.700 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.60246E-03 ppm1      0.507 ppm2      3.411 CV     1
 ASSI { 3662}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.72082E-02 ppm1      0.835 ppm2      7.664 CV     1
 ASSI { 3662}
   (  segid "B   " and resid 23   and name HG2%)
   (( segid "B   " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.72082E-02 ppm1      0.835 ppm2      7.664 CV     1
 ASSI { 3666}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 23   and name HB  ))
      2.200     0.600     0.600 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.11946E-01 ppm1      0.835 ppm2      2.066 CV     1
 ASSI { 3666}
   (  segid "B   " and resid 23   and name HG2%)
   (( segid "B   " and resid 23   and name HB  ))
      2.200     0.600     0.600 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.11946E-01 ppm1      0.835 ppm2      2.066 CV     1
 ASSI { 3671}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 113  and name HN  ))
      4.700     2.700     1.300 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.10471E-02 ppm1      0.858 ppm2      7.230 CV     1
 ASSI { 3671}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 113  and name HN  ))
      4.700     2.700     1.300 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.10471E-02 ppm1      0.858 ppm2      7.230 CV     1
 ASSI { 3673}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 42   and name HA  ))
      4.300     2.400     1.700 peak  3673 spectrum    1 weight  0.10000E+01 volume  0.13350E-02 ppm1      0.858 ppm2      5.060 CV     1
 ASSI { 3673}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 42   and name HA  ))
      4.300     2.400     1.700 peak  3673 spectrum    1 weight  0.10000E+01 volume  0.13350E-02 ppm1      0.858 ppm2      5.060 CV     1
 ASSI { 3674}
   (  segid "A   " and resid 87   and name HG1%)
   (  segid "A   " and resid 111  and name HD% )
      4.200     2.200     1.800 peak  3674 spectrum    1 weight  0.10000E+01 volume  0.16370E-02 ppm1      0.858 ppm2      6.969 CV     1
 ASSI { 3674}
   (  segid "B   " and resid 87   and name HG1%)
   (  segid "B   " and resid 111  and name HD% )
      4.200     2.200     1.800 peak  3674 spectrum    1 weight  0.10000E+01 volume  0.16370E-02 ppm1      0.858 ppm2      6.969 CV     1
 ASSI { 3675}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 111  and name HB2 ))
      4.200     2.200     1.800 peak  3675 spectrum    1 weight  0.10000E+01 volume  0.13052E-02 ppm1      0.846 ppm2      2.890 CV     1
 ASSI { 3675}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 111  and name HB2 ))
      4.200     2.200     1.800 peak  3675 spectrum    1 weight  0.10000E+01 volume  0.13052E-02 ppm1      0.846 ppm2      2.890 CV     1
 ASSI { 3677}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 112  and name HA  ))
      4.800     2.900     1.200 peak  3677 spectrum    1 weight  0.10000E+01 volume  0.85103E-03 ppm1      0.870 ppm2      5.407 CV     1
 ASSI { 3677}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 112  and name HA  ))
      4.800     2.900     1.200 peak  3677 spectrum    1 weight  0.10000E+01 volume  0.85103E-03 ppm1      0.870 ppm2      5.407 CV     1
 ASSI { 3679}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 87   and name HN  ))
      2.900     1.000     1.000 peak  3679 spectrum    1 weight  0.10000E+01 volume  0.43163E-02 ppm1      0.858 ppm2      9.139 CV     1
 ASSI { 3679}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 87   and name HN  ))
      2.900     1.000     1.000 peak  3679 spectrum    1 weight  0.10000E+01 volume  0.43163E-02 ppm1      0.858 ppm2      9.139 CV     1
 ASSI { 3688}
   (  segid "A   " and resid 87   and name HG2%)
   (  segid "A   " and resid 111  and name HD% )
      4.700     2.800     1.300 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.16762E-02 ppm1      0.788 ppm2      6.969 CV     1
 ASSI { 3688}
   (  segid "B   " and resid 87   and name HG2%)
   (  segid "B   " and resid 111  and name HD% )
      4.600     2.600     1.400 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.16762E-02 ppm1      0.788 ppm2      6.969 CV     1
 ASSI { 3726}
   (  segid "A   " and resid 23   and name HG1%)
   (( segid "A   " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak  3726 spectrum    1 weight  0.10000E+01 volume  0.44959E-02 ppm1      1.092 ppm2      8.835 CV     1
 ASSI { 3726}
   (  segid "B   " and resid 23   and name HG1%)
   (( segid "B   " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak  3726 spectrum    1 weight  0.10000E+01 volume  0.44959E-02 ppm1      1.092 ppm2      8.835 CV     1
 ASSI { 3727}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.16181E-02 ppm1      0.788 ppm2      7.837 CV     1
 ASSI { 3727}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.16181E-02 ppm1      0.788 ppm2      7.837 CV     1
 ASSI { 3730}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 63   and name HB3 ))
      4.100     2.100     1.900 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.34715E-02 ppm1      0.823 ppm2      1.458 CV     1
 ASSI { 3730}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 63   and name HB3 ))
      4.100     2.100     1.900 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.34715E-02 ppm1      0.823 ppm2      1.458 CV     1
 ASSI { 3734}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 41   and name HN  ))
      3.800     1.800     1.800 peak  3734 spectrum    1 weight  0.10000E+01 volume  0.11326E-02 ppm1      0.835 ppm2      7.143 CV     1
 ASSI { 3734}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 41   and name HN  ))
      3.800     1.800     1.800 peak  3734 spectrum    1 weight  0.10000E+01 volume  0.11326E-02 ppm1      0.835 ppm2      7.143 CV     1
 ASSI { 3738}
   (  segid "A   " and resid 41   and name HG2%)
   (  segid "A   " and resid 43   and name HD1%)
      4.100     2.100     1.900 peak  3738 spectrum    1 weight  0.10000E+01 volume  0.33657E-02 ppm1      0.823 ppm2      0.460 CV     1
 ASSI { 3738}
   (  segid "B   " and resid 41   and name HG2%)
   (  segid "B   " and resid 43   and name HD1%)
      4.100     2.100     1.900 peak  3738 spectrum    1 weight  0.10000E+01 volume  0.33657E-02 ppm1      0.823 ppm2      0.460 CV     1
 ASSI { 3739}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 61   and name HA  ))
      3.900     1.900     1.900 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.12291E-02 ppm1      0.823 ppm2      4.930 CV     1
 ASSI { 3739}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 61   and name HA  ))
      3.900     1.900     1.900 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.12291E-02 ppm1      0.823 ppm2      4.930 CV     1
 ASSI { 3752}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 84   and name HB3 ))
      4.000     2.000     2.000 peak  3752 spectrum    1 weight  0.10000E+01 volume  0.19821E-02 ppm1      1.045 ppm2      2.456 CV     1
 ASSI { 3752}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 84   and name HB3 ))
      4.000     2.000     2.000 peak  3752 spectrum    1 weight  0.10000E+01 volume  0.19821E-02 ppm1      1.045 ppm2      2.456 CV     1
 ASSI { 3775}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "A   " and resid 102  and name HG  ))
      2.400     0.700     0.700 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.32991E-02 ppm1     -0.089 ppm2      1.588 CV     1
 ASSI { 3775}
   (  segid "B   " and resid 102  and name HD2%)
   (( segid "B   " and resid 102  and name HG  ))
      2.400     0.700     0.700 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.32991E-02 ppm1     -0.089 ppm2      1.588 CV     1
 ASSI { 3784}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak  3784 spectrum    1 weight  0.10000E+01 volume  0.17954E-02 ppm1      1.010 ppm2      4.105 CV     1
 ASSI { 3784}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak  3784 spectrum    1 weight  0.10000E+01 volume  0.17954E-02 ppm1      1.010 ppm2      4.105 CV     1
 ASSI { 3787}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 120  and name HZ2 ))
      2.300     0.700     0.700 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.77275E-02 ppm1      1.010 ppm2      7.056 CV     1
 ASSI { 3787}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 120  and name HZ2 ))
      2.300     0.700     0.700 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.77275E-02 ppm1      1.010 ppm2      7.056 CV     1
 ASSI { 3791}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 61   and name HN  ))
      5.100     3.200     0.900 peak  3791 spectrum    1 weight  0.10000E+01 volume  0.77023E-03 ppm1      1.010 ppm2      9.269 CV     1
 ASSI { 3791}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 61   and name HN  ))
      5.100     3.200     0.900 peak  3791 spectrum    1 weight  0.10000E+01 volume  0.77023E-03 ppm1      1.010 ppm2      9.269 CV     1
 ASSI { 3793}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 120  and name HE1 ))
      4.200     2.200     1.800 peak  3793 spectrum    1 weight  0.10000E+01 volume  0.73595E-03 ppm1      1.010 ppm2      9.790 CV     1
 ASSI { 3793}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 120  and name HE1 ))
      4.200     2.200     1.800 peak  3793 spectrum    1 weight  0.10000E+01 volume  0.73595E-03 ppm1      1.010 ppm2      9.790 CV     1
 ASSI { 3800}
   (  segid "A   " and resid 121  and name HD2%)
   (( segid "A   " and resid 121  and name HG  ))
      2.500     0.800     0.800 peak  3800 spectrum    1 weight  0.10000E+01 volume  0.48435E-02 ppm1      0.998 ppm2      1.805 CV     1
 ASSI { 3800}
   (  segid "B   " and resid 121  and name HD2%)
   (( segid "B   " and resid 121  and name HG  ))
      2.500     0.800     0.800 peak  3800 spectrum    1 weight  0.10000E+01 volume  0.48435E-02 ppm1      0.998 ppm2      1.805 CV     1
 ASSI { 3802}
   (  segid "A   " and resid 121  and name HD2%)
   (( segid "A   " and resid 124  and name HN  ))
      3.800     1.800     1.800 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.14479E-02 ppm1      0.998 ppm2      7.794 CV     1
 ASSI { 3802}
   (  segid "B   " and resid 121  and name HD2%)
   (( segid "B   " and resid 124  and name HN  ))
      3.800     1.800     1.800 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.14479E-02 ppm1      0.998 ppm2      7.794 CV     1
 ASSI { 3803}
   (  segid "A   " and resid 121  and name HD2%)
   (( segid "A   " and resid 121  and name HA  ))
      2.300     0.600     0.600 peak  3803 spectrum    1 weight  0.10000E+01 volume  0.72929E-02 ppm1      0.998 ppm2      4.279 CV     1
 ASSI { 3803}
   (  segid "B   " and resid 121  and name HD2%)
   (( segid "B   " and resid 121  and name HA  ))
      2.300     0.600     0.600 peak  3803 spectrum    1 weight  0.10000E+01 volume  0.72929E-02 ppm1      0.998 ppm2      4.279 CV     1
 ASSI { 3808}
   (  segid "A   " and resid 121  and name HD2%)
   (( segid "A   " and resid 121  and name HB2 ))
      3.400     1.400     1.400 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.41014E-02 ppm1      0.998 ppm2      1.502 CV     1
 ASSI { 3808}
   (  segid "B   " and resid 121  and name HD2%)
   (( segid "B   " and resid 121  and name HB2 ))
      3.400     1.400     1.400 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.41014E-02 ppm1      0.998 ppm2      1.502 CV     1
 ASSI { 3810}
   (  segid "A   " and resid 73   and name HD2%)
   (( segid "A   " and resid 73   and name HB2 ))
      2.600     0.800     0.800 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.36833E-02 ppm1      0.835 ppm2      1.111 CV     1
 ASSI { 3810}
   (  segid "B   " and resid 73   and name HD2%)
   (( segid "B   " and resid 73   and name HB2 ))
      2.600     0.800     0.800 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.36833E-02 ppm1      0.835 ppm2      1.111 CV     1
 ASSI { 3836}
   (  segid "A   " and resid 74   and name HD2%)
   (  segid "A   " and resid 74   and name HD1%)
      2.100     0.600     0.600 peak  3836 spectrum    1 weight  0.10000E+01 volume  0.11287E-01 ppm1      0.168 ppm2     -0.061 CV     1
 ASSI { 3836}
   (  segid "B   " and resid 74   and name HD2%)
   (  segid "B   " and resid 74   and name HD1%)
      2.100     0.600     0.600 peak  3836 spectrum    1 weight  0.10000E+01 volume  0.11287E-01 ppm1      0.168 ppm2     -0.061 CV     1
 ASSI { 3840}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "A   " and resid 74   and name HA  ))
      3.400     1.500     1.500 peak  3840 spectrum    1 weight  0.10000E+01 volume  0.41680E-02 ppm1      0.168 ppm2      3.498 CV     1
 ASSI { 3840}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "B   " and resid 74   and name HA  ))
      3.400     1.500     1.500 peak  3840 spectrum    1 weight  0.10000E+01 volume  0.41680E-02 ppm1      0.168 ppm2      3.498 CV     1
 ASSI { 3841}
   (  segid "A   " and resid 25   and name HD2%)
   (( segid "A   " and resid 26   and name HA  ))
      4.700     2.700     1.300 peak  3841 spectrum    1 weight  0.10000E+01 volume  0.85260E-03 ppm1      0.952 ppm2      4.713 CV     1
 ASSI { 3841}
   (  segid "B   " and resid 25   and name HD2%)
   (( segid "B   " and resid 26   and name HA  ))
      4.700     2.700     1.300 peak  3841 spectrum    1 weight  0.10000E+01 volume  0.85260E-03 ppm1      0.952 ppm2      4.713 CV     1
 ASSI { 3842}
   (  segid "A   " and resid 25   and name HD2%)
   (( segid "A   " and resid 30   and name HA  ))
      4.800     2.800     1.200 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.64332E-03 ppm1      0.963 ppm2      3.975 CV     1
 ASSI { 3842}
   (  segid "B   " and resid 25   and name HD2%)
   (( segid "B   " and resid 30   and name HA  ))
      4.800     2.800     1.200 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.64332E-03 ppm1      0.963 ppm2      3.975 CV     1
 ASSI { 3850}
   (  segid "A   " and resid 25   and name HD2%)
   (( segid "A   " and resid 25   and name HB3 ))
      2.500     0.800     0.800 peak  3850 spectrum    1 weight  0.10000E+01 volume  0.66677E-02 ppm1      0.952 ppm2      1.805 CV     1
 ASSI { 3850}
   (  segid "B   " and resid 25   and name HD2%)
   (( segid "B   " and resid 25   and name HB3 ))
      2.500     0.800     0.800 peak  3850 spectrum    1 weight  0.10000E+01 volume  0.66677E-02 ppm1      0.952 ppm2      1.805 CV     1
 ASSI { 3851}
   (  segid "A   " and resid 25   and name HD2%)
   (( segid "A   " and resid 29   and name HB2 ))
      3.200     1.300     1.300 peak  3851 spectrum    1 weight  0.10000E+01 volume  0.14166E-02 ppm1      0.952 ppm2      2.586 CV     1
 ASSI { 3851}
   (  segid "B   " and resid 25   and name HD2%)
   (( segid "B   " and resid 29   and name HB2 ))
      3.200     1.300     1.300 peak  3851 spectrum    1 weight  0.10000E+01 volume  0.14166E-02 ppm1      0.952 ppm2      2.586 CV     1
 ASSI { 3866}
   (  segid "A   " and resid 125  and name HD2%)
   (  segid "A   " and resid 125  and name HD1%)
      1.900     0.400     0.400 peak  3866 spectrum    1 weight  0.10000E+01 volume  0.26417E-01 ppm1      0.122 ppm2     -0.191 CV     1
 ASSI { 3866}
   (  segid "B   " and resid 125  and name HD2%)
   (  segid "B   " and resid 125  and name HD1%)
      1.900     0.400     0.400 peak  3866 spectrum    1 weight  0.10000E+01 volume  0.26417E-01 ppm1      0.122 ppm2     -0.191 CV     1
 ASSI { 3873}
   (  segid "A   " and resid 128  and name HD2%)
   (( segid "A   " and resid 56   and name HE3 ))
      4.900     3.000     1.100 peak  3873 spectrum    1 weight  0.10000E+01 volume  0.70758E-03 ppm1      0.706 ppm2      2.630 CV     1
 ASSI { 3873}
   (  segid "B   " and resid 128  and name HD2%)
   (( segid "B   " and resid 56   and name HE3 ))
      4.900     3.000     1.100 peak  3873 spectrum    1 weight  0.10000E+01 volume  0.70758E-03 ppm1      0.706 ppm2      2.630 CV     1
 ASSI { 3876}
   (  segid "A   " and resid 125  and name HD2%)
   (( segid "A   " and resid 125  and name HA  ))
      2.100     0.500     0.500 peak  3876 spectrum    1 weight  0.10000E+01 volume  0.11420E-01 ppm1      0.122 ppm2      3.845 CV     1
 ASSI { 3876}
   (  segid "B   " and resid 125  and name HD2%)
   (( segid "B   " and resid 125  and name HA  ))
      2.100     0.500     0.500 peak  3876 spectrum    1 weight  0.10000E+01 volume  0.11420E-01 ppm1      0.122 ppm2      3.845 CV     1
 ASSI { 3878}
   (  segid "A   " and resid 85   and name HG1%)
   (( segid "A   " and resid 40   and name HA  ))
      3.600     1.600     1.600 peak  3878 spectrum    1 weight  0.10000E+01 volume  0.14848E-02 ppm1      1.069 ppm2      4.279 CV     1
 ASSI { 3878}
   (  segid "B   " and resid 85   and name HG1%)
   (( segid "B   " and resid 40   and name HA  ))
      3.600     1.600     1.600 peak  3878 spectrum    1 weight  0.10000E+01 volume  0.14848E-02 ppm1      1.069 ppm2      4.279 CV     1
 ASSI { 3887}
   (  segid "A   " and resid 125  and name HD2%)
   (( segid "A   " and resid 120  and name HE1 ))
      4.500     2.500     1.500 peak  3887 spectrum    1 weight  0.10000E+01 volume  0.87299E-03 ppm1      0.133 ppm2      9.833 CV     1
 ASSI { 3887}
   (  segid "B   " and resid 125  and name HD2%)
   (( segid "B   " and resid 120  and name HE1 ))
      4.500     2.500     1.500 peak  3887 spectrum    1 weight  0.10000E+01 volume  0.87299E-03 ppm1      0.133 ppm2      9.833 CV     1
 ASSI { 3889}
   (  segid "A   " and resid 128  and name HD2%)
   (( segid "A   " and resid 58   and name HB3 ))
      4.300     2.300     1.700 peak  3889 spectrum    1 weight  0.10000E+01 volume  0.22425E-02 ppm1      0.706 ppm2      2.803 CV     1
 ASSI { 3889}
   (  segid "B   " and resid 128  and name HD2%)
   (( segid "B   " and resid 58   and name HB3 ))
      4.300     2.300     1.700 peak  3889 spectrum    1 weight  0.10000E+01 volume  0.22425E-02 ppm1      0.706 ppm2      2.803 CV     1
 ASSI { 3892}
   (  segid "A   " and resid 125  and name HD2%)
   (( segid "A   " and resid 126  and name HD2 ))
      2.700     0.900     0.900 peak  3892 spectrum    1 weight  0.10000E+01 volume  0.28496E-02 ppm1      0.122 ppm2      2.500 CV     1
 ASSI { 3892}
   (  segid "B   " and resid 125  and name HD2%)
   (( segid "B   " and resid 126  and name HD2 ))
      2.700     0.900     0.900 peak  3892 spectrum    1 weight  0.10000E+01 volume  0.28496E-02 ppm1      0.122 ppm2      2.500 CV     1
 ASSI { 3894}
   (  segid "A   " and resid 125  and name HD2%)
   (( segid "A   " and resid 125  and name HB3 ))
      3.500     1.500     1.500 peak  3894 spectrum    1 weight  0.10000E+01 volume  0.12652E-02 ppm1      0.122 ppm2      2.239 CV     1
 OR { 3894}
   (  segid "A   " and resid 125  and name HD2%)
   (( segid "A   " and resid 125  and name HB2 ))
 ASSI { 3894}
   (  segid "B   " and resid 125  and name HD2%)
   (( segid "B   " and resid 125  and name HB3 ))
      3.500     1.500     1.500 peak  3894 spectrum    1 weight  0.10000E+01 volume  0.12652E-02 ppm1      0.122 ppm2      2.239 CV     1
 OR { 3894}
   (  segid "B   " and resid 125  and name HD2%)
   (( segid "B   " and resid 125  and name HB2 ))
 ASSI { 3897}
   (  segid "A   " and resid 125  and name HD2%)
   (( segid "A   " and resid 125  and name HN  ))
      3.500     1.600     1.600 peak  3897 spectrum    1 weight  0.10000E+01 volume  0.38652E-02 ppm1      0.122 ppm2      7.316 CV     1
 ASSI { 3897}
   (  segid "B   " and resid 125  and name HD2%)
   (( segid "B   " and resid 125  and name HN  ))
      3.500     1.600     1.600 peak  3897 spectrum    1 weight  0.10000E+01 volume  0.38652E-02 ppm1      0.122 ppm2      7.316 CV     1
 ASSI { 3900}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 87   and name HN  ))
      3.300     1.300     1.300 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.42497E-02 ppm1      0.765 ppm2      9.139 CV     1
 ASSI { 3900}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 87   and name HN  ))
      3.300     1.300     1.300 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.42497E-02 ppm1      0.765 ppm2      9.139 CV     1
 ASSI { 3923}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 29   and name HB3 ))
      4.200     2.200     1.800 peak  3923 spectrum    1 weight  0.10000E+01 volume  0.94358E-03 ppm1      0.578 ppm2      2.934 CV     1
 ASSI { 3923}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 29   and name HB3 ))
      4.200     2.200     1.800 peak  3923 spectrum    1 weight  0.10000E+01 volume  0.94358E-03 ppm1      0.578 ppm2      2.934 CV     1
 ASSI { 3931}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 70   and name HG  ))
      2.400     0.700     0.700 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.42324E-02 ppm1      0.554 ppm2      0.981 CV     1
 ASSI { 3931}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 70   and name HG  ))
      2.400     0.700     0.700 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.42324E-02 ppm1      0.554 ppm2      0.981 CV     1
 ASSI { 3935}
   (  segid "A   " and resid 70   and name HD1%)
   (  segid "A   " and resid 74   and name HD2%)
      2.800     1.000     1.000 peak  3935 spectrum    1 weight  0.10000E+01 volume  0.34983E-02 ppm1      0.566 ppm2      0.156 CV     1
 ASSI { 3935}
   (  segid "B   " and resid 70   and name HD1%)
   (  segid "B   " and resid 74   and name HD2%)
      2.800     1.000     1.000 peak  3935 spectrum    1 weight  0.10000E+01 volume  0.34983E-02 ppm1      0.566 ppm2      0.156 CV     1
 ASSI { 3938}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 70   and name HN  ))
      4.600     2.600     1.400 peak  3938 spectrum    1 weight  0.10000E+01 volume  0.14346E-02 ppm1      0.566 ppm2      7.273 CV     1
 ASSI { 3938}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 70   and name HN  ))
      4.600     2.600     1.400 peak  3938 spectrum    1 weight  0.10000E+01 volume  0.14346E-02 ppm1      0.566 ppm2      7.273 CV     1
 ASSI { 3940}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 56   and name HG2 ))
      2.700     0.900     0.900 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.12267E-02 ppm1      0.250 ppm2      0.937 CV     1
 ASSI { 3940}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 56   and name HG2 ))
      2.700     0.900     0.900 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.12267E-02 ppm1      0.250 ppm2      0.937 CV     1
 ASSI { 3951}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak  3951 spectrum    1 weight  0.10000E+01 volume  0.32111E-02 ppm1      0.262 ppm2      6.882 CV     1
 ASSI { 3951}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak  3951 spectrum    1 weight  0.10000E+01 volume  0.32111E-02 ppm1      0.262 ppm2      6.882 CV     1
 ASSI { 3954}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 64   and name HB2 ))
      3.200     1.300     1.300 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.15366E-02 ppm1      0.262 ppm2      2.977 CV     1
 ASSI { 3954}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 64   and name HB2 ))
      3.200     1.300     1.300 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.15366E-02 ppm1      0.262 ppm2      2.977 CV     1
 ASSI { 3955}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 35   and name HN  ))
      4.000     2.000     2.000 peak  3955 spectrum    1 weight  0.10000E+01 volume  0.17915E-02 ppm1      0.776 ppm2      8.011 CV     1
 ASSI { 3955}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 35   and name HN  ))
      4.000     2.000     2.000 peak  3955 spectrum    1 weight  0.10000E+01 volume  0.17915E-02 ppm1      0.776 ppm2      8.011 CV     1
 ASSI { 3958}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 56   and name HE3 ))
      4.100     2.100     1.900 peak  3958 spectrum    1 weight  0.10000E+01 volume  0.22888E-02 ppm1      0.262 ppm2      2.630 CV     1
 ASSI { 3958}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 56   and name HE3 ))
      4.100     2.100     1.900 peak  3958 spectrum    1 weight  0.10000E+01 volume  0.22888E-02 ppm1      0.262 ppm2      2.630 CV     1
 ASSI { 3959}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak  3959 spectrum    1 weight  0.10000E+01 volume  0.12495E-02 ppm1      0.262 ppm2      7.620 CV     1
 ASSI { 3959}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak  3959 spectrum    1 weight  0.10000E+01 volume  0.12495E-02 ppm1      0.262 ppm2      7.620 CV     1
 ASSI { 3970}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 46   and name HN  ))
      3.000     1.200     1.200 peak  3970 spectrum    1 weight  0.10000E+01 volume  0.26590E-02 ppm1      0.355 ppm2      7.620 CV     1
 ASSI { 3970}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 46   and name HN  ))
      3.000     1.200     1.200 peak  3970 spectrum    1 weight  0.10000E+01 volume  0.26590E-02 ppm1      0.355 ppm2      7.620 CV     1
 ASSI { 3988}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 51   and name HN  ))
      2.300     0.700     0.700 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.49383E-02 ppm1      0.355 ppm2      6.882 CV     1
 ASSI { 3988}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 51   and name HN  ))
      2.300     0.700     0.700 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.49383E-02 ppm1      0.355 ppm2      6.882 CV     1
 ASSI { 3993}
   (  segid "A   " and resid 97   and name HD1%)
   (  segid "B   " and resid 11   and name HD% )
      3.700     1.700     1.700 peak  3993 spectrum    1 weight  0.10000E+01 volume  0.19499E-02 ppm1      1.022 ppm2      7.360 CV     1
 ASSI { 3993}
   (  segid "B   " and resid 97   and name HD1%)
   (  segid "A   " and resid 11   and name HD% )
      3.700     1.700     1.700 peak  3993 spectrum    1 weight  0.10000E+01 volume  0.19499E-02 ppm1      1.022 ppm2      7.360 CV     1
 ASSI { 4001}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "B   " and resid 11   and name HB2 ))
      3.700     1.700     1.700 peak  4001 spectrum    1 weight  0.10000E+01 volume  0.24417E-02 ppm1     -0.065 ppm2      3.367 CV     1
 ASSI { 4001}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "A   " and resid 11   and name HB2 ))
      3.700     1.700     1.700 peak  4001 spectrum    1 weight  0.10000E+01 volume  0.24417E-02 ppm1     -0.065 ppm2      3.367 CV     1
 ASSI { 4005}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "A   " and resid 102  and name HG  ))
      3.100     1.200     1.200 peak  4005 spectrum    1 weight  0.10000E+01 volume  0.30873E-02 ppm1     -0.065 ppm2      1.545 CV     1
 ASSI { 4005}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "B   " and resid 102  and name HG  ))
      3.100     1.200     1.200 peak  4005 spectrum    1 weight  0.10000E+01 volume  0.30873E-02 ppm1     -0.065 ppm2      1.545 CV     1
 ASSI { 4006}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "B   " and resid 11   and name HZ  ))
      4.000     2.000     2.000 peak  4006 spectrum    1 weight  0.10000E+01 volume  0.11773E-02 ppm1     -0.065 ppm2      7.013 CV     1
 ASSI { 4006}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "A   " and resid 11   and name HZ  ))
      4.000     2.000     2.000 peak  4006 spectrum    1 weight  0.10000E+01 volume  0.11773E-02 ppm1     -0.065 ppm2      7.013 CV     1
 ASSI { 4010}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 27   and name HA  ))
      4.300     2.300     1.700 peak  4010 spectrum    1 weight  0.10000E+01 volume  0.94751E-03 ppm1     -0.194 ppm2      4.583 CV     1
 ASSI { 4010}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 27   and name HA  ))
      4.300     2.300     1.700 peak  4010 spectrum    1 weight  0.10000E+01 volume  0.94751E-03 ppm1     -0.194 ppm2      4.583 CV     1
 ASSI { 4014}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 27   and name HG2 ))
      4.000     2.000     2.000 peak  4014 spectrum    1 weight  0.10000E+01 volume  0.12134E-02 ppm1     -0.194 ppm2      2.022 CV     1
 ASSI { 4014}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 27   and name HG2 ))
      4.000     2.000     2.000 peak  4014 spectrum    1 weight  0.10000E+01 volume  0.12134E-02 ppm1     -0.194 ppm2      2.022 CV     1
 ASSI { 4015}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 125  and name HB3 ))
      2.900     1.000     1.000 peak  4015 spectrum    1 weight  0.10000E+01 volume  0.22205E-02 ppm1     -0.194 ppm2      2.239 CV     1
 OR { 4015}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 125  and name HB2 ))
 ASSI { 4015}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 125  and name HB3 ))
      2.900     1.000     1.000 peak  4015 spectrum    1 weight  0.10000E+01 volume  0.22205E-02 ppm1     -0.194 ppm2      2.239 CV     1
 OR { 4015}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 125  and name HB2 ))
 ASSI { 4016}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 120  and name HZ3 ))
      3.200     1.200     1.200 peak  4016 spectrum    1 weight  0.10000E+01 volume  0.23358E-02 ppm1     -0.194 ppm2      7.056 CV     1
 OR { 4016}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 120  and name HZ2 ))
 ASSI { 4016}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 120  and name HZ3 ))
      3.200     1.200     1.200 peak  4016 spectrum    1 weight  0.10000E+01 volume  0.23358E-02 ppm1     -0.194 ppm2      7.056 CV     1
 OR { 4016}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 120  and name HZ2 ))
 ASSI { 4018}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 125  and name HG  ))
      2.300     0.600     0.600 peak  4018 spectrum    1 weight  0.10000E+01 volume  0.56529E-02 ppm1     -0.194 ppm2      0.677 CV     1
 ASSI { 4018}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 125  and name HG  ))
      2.300     0.600     0.600 peak  4018 spectrum    1 weight  0.10000E+01 volume  0.56529E-02 ppm1     -0.194 ppm2      0.677 CV     1
 ASSI { 4028}
   (  segid "A   " and resid 128  and name HD1%)
   (( segid "A   " and resid 128  and name HB2 ))
      1.800     0.400     0.400 peak  4028 spectrum    1 weight  0.10000E+01 volume  0.15091E-01 ppm1      0.659 ppm2      1.328 CV     1
 ASSI { 4028}
   (  segid "B   " and resid 128  and name HD1%)
   (( segid "B   " and resid 128  and name HB2 ))
      1.800     0.400     0.400 peak  4028 spectrum    1 weight  0.10000E+01 volume  0.15091E-01 ppm1      0.659 ppm2      1.328 CV     1
 ASSI { 4035}
   (  segid "A   " and resid 128  and name HD1%)
   (( segid "A   " and resid 59   and name HN  ))
      3.900     1.900     1.900 peak  4035 spectrum    1 weight  0.10000E+01 volume  0.20158E-02 ppm1      0.659 ppm2      6.882 CV     1
 ASSI { 4035}
   (  segid "B   " and resid 128  and name HD1%)
   (( segid "B   " and resid 59   and name HN  ))
      3.900     1.900     1.900 peak  4035 spectrum    1 weight  0.10000E+01 volume  0.20158E-02 ppm1      0.659 ppm2      6.882 CV     1
 ASSI { 4036}
   (  segid "A   " and resid 128  and name HD1%)
   (( segid "A   " and resid 128  and name HN  ))
      3.700     1.700     1.700 peak  4036 spectrum    1 weight  0.10000E+01 volume  0.19021E-02 ppm1      0.659 ppm2      9.052 CV     1
 ASSI { 4036}
   (  segid "B   " and resid 128  and name HD1%)
   (( segid "B   " and resid 128  and name HN  ))
      3.700     1.700     1.700 peak  4036 spectrum    1 weight  0.10000E+01 volume  0.19021E-02 ppm1      0.659 ppm2      9.052 CV     1
 ASSI { 4037}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 42   and name HB3 ))
      2.700     0.900     0.900 peak  4037 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      0.379 ppm2      1.675 CV     1
 ASSI { 4037}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 42   and name HB3 ))
      2.700     0.900     0.900 peak  4037 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      0.379 ppm2      1.675 CV     1
 ASSI { 4038}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 42   and name HA  ))
      3.800     1.800     1.800 peak  4038 spectrum    1 weight  0.10000E+01 volume  0.27759E-02 ppm1      0.391 ppm2      5.060 CV     1
 ASSI { 4038}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 42   and name HA  ))
      3.800     1.800     1.800 peak  4038 spectrum    1 weight  0.10000E+01 volume  0.27759E-02 ppm1      0.391 ppm2      5.060 CV     1
 ASSI { 4050}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 42   and name HG  ))
      2.400     0.700     0.700 peak  4050 spectrum    1 weight  0.10000E+01 volume  0.40716E-02 ppm1      0.391 ppm2      1.328 CV     1
 ASSI { 4050}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 42   and name HG  ))
      2.400     0.700     0.700 peak  4050 spectrum    1 weight  0.10000E+01 volume  0.40716E-02 ppm1      0.391 ppm2      1.328 CV     1
 ASSI { 4055}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak  4055 spectrum    1 weight  0.10000E+01 volume  0.15530E-02 ppm1      0.274 ppm2      5.060 CV     1
 ASSI { 4055}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak  4055 spectrum    1 weight  0.10000E+01 volume  0.15530E-02 ppm1      0.274 ppm2      5.060 CV     1
 ASSI { 4056}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 42   and name HN  ))
      4.400     2.400     1.600 peak  4056 spectrum    1 weight  0.10000E+01 volume  0.95300E-03 ppm1      0.274 ppm2      8.488 CV     1
 ASSI { 4056}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 42   and name HN  ))
      4.400     2.400     1.600 peak  4056 spectrum    1 weight  0.10000E+01 volume  0.95300E-03 ppm1      0.274 ppm2      8.488 CV     1
 ASSI { 4061}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 42   and name HB2 ))
      2.500     0.800     0.800 peak  4061 spectrum    1 weight  0.10000E+01 volume  0.16707E-02 ppm1      0.274 ppm2      1.502 CV     1
 ASSI { 4061}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 42   and name HB2 ))
      2.500     0.800     0.800 peak  4061 spectrum    1 weight  0.10000E+01 volume  0.16707E-02 ppm1      0.274 ppm2      1.502 CV     1
 ASSI { 4071}
   (  segid "A   " and resid 33   and name HD2%)
   (( segid "A   " and resid 33   and name HB2 ))
      3.400     1.400     1.400 peak  4071 spectrum    1 weight  0.10000E+01 volume  0.18119E-02 ppm1      0.075 ppm2      1.458 CV     1
 ASSI { 4071}
   (  segid "B   " and resid 33   and name HD2%)
   (( segid "B   " and resid 33   and name HB2 ))
      3.400     1.400     1.400 peak  4071 spectrum    1 weight  0.10000E+01 volume  0.18119E-02 ppm1      0.075 ppm2      1.458 CV     1
 ASSI { 4072}
   (  segid "A   " and resid 33   and name HD2%)
   (  segid "A   " and resid 25   and name HD1%)
      2.100     0.600     0.600 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.12283E-01 ppm1      0.075 ppm2      0.590 CV     1
 ASSI { 4072}
   (  segid "B   " and resid 33   and name HD2%)
   (  segid "B   " and resid 25   and name HD1%)
      2.100     0.600     0.600 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.12283E-01 ppm1      0.075 ppm2      0.590 CV     1
 ASSI { 4079}
   (  segid "A   " and resid 102  and name HD1%)
   (( segid "A   " and resid 102  and name HB3 ))
      3.200     1.300     1.300 peak  4079 spectrum    1 weight  0.10000E+01 volume  0.13546E-02 ppm1      0.180 ppm2      1.762 CV     1
 ASSI { 4079}
   (  segid "B   " and resid 102  and name HD1%)
   (( segid "B   " and resid 102  and name HB3 ))
      3.200     1.300     1.300 peak  4079 spectrum    1 weight  0.10000E+01 volume  0.13546E-02 ppm1      0.180 ppm2      1.762 CV     1
 ASSI { 4083}
   (  segid "A   " and resid 121  and name HD1%)
   (( segid "A   " and resid 121  and name HN  ))
      4.500     2.600     1.500 peak  4083 spectrum    1 weight  0.10000E+01 volume  0.12244E-02 ppm1      1.045 ppm2      8.575 CV     1
 ASSI { 4083}
   (  segid "B   " and resid 121  and name HD1%)
   (( segid "B   " and resid 121  and name HN  ))
      4.500     2.600     1.500 peak  4083 spectrum    1 weight  0.10000E+01 volume  0.12244E-02 ppm1      1.045 ppm2      8.575 CV     1
 ASSI { 4094}
   (  segid "A   " and resid 73   and name HD1%)
   (( segid "A   " and resid 76   and name HG2 ))
      3.600     1.700     1.700 peak  4094 spectrum    1 weight  0.10000E+01 volume  0.36622E-02 ppm1      0.648 ppm2      1.371 CV     1
 ASSI { 4094}
   (  segid "B   " and resid 73   and name HD1%)
   (( segid "B   " and resid 76   and name HG2 ))
      3.600     1.700     1.700 peak  4094 spectrum    1 weight  0.10000E+01 volume  0.36622E-02 ppm1      0.648 ppm2      1.371 CV     1
 ASSI { 4110}
   (  segid "A   " and resid 25   and name HD1%)
   (( segid "A   " and resid 25   and name HB3 ))
      2.400     0.700     0.700 peak  4110 spectrum    1 weight  0.10000E+01 volume  0.35067E-02 ppm1      0.589 ppm2      1.805 CV     1
 ASSI { 4110}
   (  segid "B   " and resid 25   and name HD1%)
   (( segid "B   " and resid 25   and name HB3 ))
      2.400     0.700     0.700 peak  4110 spectrum    1 weight  0.10000E+01 volume  0.35067E-02 ppm1      0.589 ppm2      1.805 CV     1
 ASSI { 4113}
   (  segid "A   " and resid 73   and name HD1%)
   (( segid "A   " and resid 73   and name HB2 ))
      4.100     2.100     1.900 peak  4113 spectrum    1 weight  0.10000E+01 volume  0.14769E-02 ppm1      0.671 ppm2      1.111 CV     1
 ASSI { 4113}
   (  segid "B   " and resid 73   and name HD1%)
   (( segid "B   " and resid 73   and name HB2 ))
      4.100     2.100     1.900 peak  4113 spectrum    1 weight  0.10000E+01 volume  0.14769E-02 ppm1      0.671 ppm2      1.111 CV     1
 ASSI { 4114}
   (  segid "A   " and resid 25   and name HD1%)
   (( segid "A   " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak  4114 spectrum    1 weight  0.10000E+01 volume  0.22119E-02 ppm1      0.589 ppm2      3.975 CV     1
 ASSI { 4123}
   (  segid "A   " and resid 34   and name HD1%)
   (( segid "A   " and resid 35   and name HN  ))
      4.700     2.800     1.300 peak  4123 spectrum    1 weight  0.10000E+01 volume  0.71684E-03 ppm1      0.952 ppm2      8.011 CV     1
 ASSI { 4123}
   (  segid "B   " and resid 34   and name HD1%)
   (( segid "B   " and resid 35   and name HN  ))
      4.700     2.800     1.300 peak  4123 spectrum    1 weight  0.10000E+01 volume  0.71684E-03 ppm1      0.952 ppm2      8.011 CV     1
 ASSI { 3880}
   (  segid "B   " and resid 85   and name HG1%)
   (( segid "B   " and resid 110  and name HA  ))
      4.700     2.700     1.300 peak  3880 spectrum    1 weight  0.10000E+01 volume  0.64741E-03 ppm1      1.057 ppm2      4.539 CV     1
 ASSI { 3967}
   (  segid "B   " and resid 15   and name HG2%)
   (( segid "B   " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak  3967 spectrum    1 weight  0.10000E+01 volume  0.18636E-02 ppm1      0.461 ppm2      7.837 CV     1
 ASSI { 4091}
   (  segid "B   " and resid 70   and name HD2%)
   (  segid "B   " and resid 101  and name HG2%)
      3.800     1.800     1.800 peak  4091 spectrum    1 weight  0.10000E+01 volume  0.24464E-02 ppm1      0.648 ppm2      1.198 CV     1
 ASSI { 4137}
   (( segid "A   " and resid 88   and name HB3 ))
   (( segid "A   " and resid 88   and name HA  ))
      3.900     1.900     1.900 peak  4137 spectrum    1 weight  0.10000E+01 volume  0.44098E-03 ppm1      2.842 ppm2      5.488 CV     1
 ASSI { 4137}
   (( segid "B   " and resid 88   and name HB3 ))
   (( segid "B   " and resid 88   and name HA  ))
      3.900     1.900     1.900 peak  4137 spectrum    1 weight  0.10000E+01 volume  0.44098E-03 ppm1      2.842 ppm2      5.488 CV     1
 ASSI { 4138}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 88   and name HA  ))
      5.300     3.500     0.700 peak  4138 spectrum    1 weight  0.10000E+01 volume  0.23998E-03 ppm1      0.376 ppm2      5.488 CV     1
 ASSI { 4138}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 88   and name HA  ))
      5.300     3.500     0.700 peak  4138 spectrum    1 weight  0.10000E+01 volume  0.23998E-03 ppm1      0.376 ppm2      5.488 CV     1
 ASSI { 4145}
   (  segid "A   " and resid 111  and name HD% )
   (( segid "A   " and resid 111  and name HA  ))
      3.100     1.200     1.200 peak  4145 spectrum    1 weight  0.10000E+01 volume  0.18699E-02 ppm1      6.982 ppm2      5.775 CV     1
 ASSI { 4145}
   (  segid "B   " and resid 111  and name HD% )
   (( segid "B   " and resid 111  and name HA  ))
      3.100     1.200     1.200 peak  4145 spectrum    1 weight  0.10000E+01 volume  0.18699E-02 ppm1      6.982 ppm2      5.775 CV     1
 ASSI { 4149}
   (( segid "A   " and resid 23   and name HB  ))
   (( segid "A   " and resid 111  and name HA  ))
      2.800     0.900     0.900 peak  4149 spectrum    1 weight  0.10000E+01 volume  0.18445E-02 ppm1      2.054 ppm2      5.775 CV     1
 ASSI { 4149}
   (( segid "B   " and resid 23   and name HB  ))
   (( segid "B   " and resid 111  and name HA  ))
      2.800     0.900     0.900 peak  4149 spectrum    1 weight  0.10000E+01 volume  0.18445E-02 ppm1      2.054 ppm2      5.775 CV     1
 ASSI { 4153}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 111  and name HA  ))
      5.000     3.200     1.000 peak  4153 spectrum    1 weight  0.10000E+01 volume  0.24649E-03 ppm1      5.222 ppm2      5.775 CV     1
 ASSI { 4153}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 111  and name HA  ))
      5.000     3.200     1.000 peak  4153 spectrum    1 weight  0.10000E+01 volume  0.24649E-03 ppm1      5.222 ppm2      5.775 CV     1
 ASSI { 4154}
   (( segid "A   " and resid 111  and name HB3 ))
   (( segid "A   " and resid 111  and name HA  ))
      2.900     1.100     1.100 peak  4154 spectrum    1 weight  0.10000E+01 volume  0.72082E-03 ppm1      3.005 ppm2      5.775 CV     1
 ASSI { 4154}
   (( segid "B   " and resid 111  and name HB3 ))
   (( segid "B   " and resid 111  and name HA  ))
      2.900     1.100     1.100 peak  4154 spectrum    1 weight  0.10000E+01 volume  0.72082E-03 ppm1      3.005 ppm2      5.775 CV     1
 ASSI { 4155}
   (  segid "A   " and resid 25   and name HD1%)
   (( segid "A   " and resid 111  and name HA  ))
      5.400     3.600     0.600 peak  4155 spectrum    1 weight  0.10000E+01 volume  0.27470E-03 ppm1      0.579 ppm2      5.775 CV     1
 ASSI { 4155}
   (  segid "B   " and resid 25   and name HD1%)
   (( segid "B   " and resid 111  and name HA  ))
      5.400     3.600     0.600 peak  4155 spectrum    1 weight  0.10000E+01 volume  0.27470E-03 ppm1      0.579 ppm2      5.775 CV     1
 ASSI { 4162}
   (( segid "A   " and resid 57   and name HG2 ))
   (  segid "A   " and resid 62   and name HE% )
      4.000     2.000     2.000 peak  4162 spectrum    1 weight  0.10000E+01 volume  0.32923E-03 ppm1      0.183 ppm2      6.527 CV     1
 ASSI { 4162}
   (( segid "B   " and resid 57   and name HG2 ))
   (  segid "B   " and resid 62   and name HE% )
      4.000     2.000     2.000 peak  4162 spectrum    1 weight  0.10000E+01 volume  0.32923E-03 ppm1      0.183 ppm2      6.527 CV     1
 ASSI { 4163}
   (  segid "A   " and resid 59   and name HG1%)
   (  segid "A   " and resid 62   and name HE% )
      4.800     2.900     1.200 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.26978E-03 ppm1      0.996 ppm2      6.527 CV     1
 ASSI { 4163}
   (  segid "B   " and resid 59   and name HG1%)
   (  segid "B   " and resid 62   and name HE% )
      4.800     2.900     1.200 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.26978E-03 ppm1      0.996 ppm2      6.527 CV     1
 ASSI { 4164}
   (( segid "A   " and resid 64   and name HB3 ))
   (  segid "A   " and resid 62   and name HE% )
      3.400     1.500     1.500 peak  4164 spectrum    1 weight  0.10000E+01 volume  0.36224E-02 ppm1      3.285 ppm2      6.527 CV     1
 ASSI { 4164}
   (( segid "B   " and resid 64   and name HB3 ))
   (  segid "B   " and resid 62   and name HE% )
      3.400     1.500     1.500 peak  4164 spectrum    1 weight  0.10000E+01 volume  0.36224E-02 ppm1      3.285 ppm2      6.527 CV     1
 ASSI { 4165}
   (( segid "A   " and resid 44   and name HA  ))
   (  segid "A   " and resid 62   and name HE% )
      5.500     3.800     0.500 peak  4165 spectrum    1 weight  0.10000E+01 volume  0.27120E-03 ppm1      5.141 ppm2      6.527 CV     1
 ASSI { 4165}
   (( segid "B   " and resid 44   and name HA  ))
   (  segid "B   " and resid 62   and name HE% )
      5.500     3.800     0.500 peak  4165 spectrum    1 weight  0.10000E+01 volume  0.27120E-03 ppm1      5.141 ppm2      6.527 CV     1
 ASSI { 4168}
   (( segid "A   " and resid 56   and name HG2 ))
   (  segid "A   " and resid 62   and name HE% )
      4.600     2.600     1.400 peak  4168 spectrum    1 weight  0.10000E+01 volume  0.38850E-03 ppm1      0.945 ppm2      6.527 CV     1
 ASSI { 4168}
   (( segid "B   " and resid 56   and name HG2 ))
   (  segid "B   " and resid 62   and name HE% )
      4.600     2.600     1.400 peak  4168 spectrum    1 weight  0.10000E+01 volume  0.38850E-03 ppm1      0.945 ppm2      6.527 CV     1
 ASSI { 4169}
   (  segid "A   " and resid 62   and name HD% )
   (  segid "A   " and resid 62   and name HE% )
      2.100     0.600     0.600 peak  4169 spectrum    1 weight  0.10000E+01 volume  0.84610E-02 ppm1      6.743 ppm2      6.527 CV     1
 ASSI { 4169}
   (  segid "B   " and resid 62   and name HD% )
   (  segid "B   " and resid 62   and name HE% )
      2.100     0.600     0.600 peak  4169 spectrum    1 weight  0.10000E+01 volume  0.84610E-02 ppm1      6.743 ppm2      6.527 CV     1
 ASSI { 4170}
   (  segid "A   " and resid 88   and name HD% )
   (  segid "A   " and resid 62   and name HE% )
      4.500     2.500     1.500 peak  4170 spectrum    1 weight  0.10000E+01 volume  0.92227E-03 ppm1      6.936 ppm2      6.527 CV     1
 ASSI { 4170}
   (  segid "B   " and resid 88   and name HD% )
   (  segid "B   " and resid 62   and name HE% )
      4.500     2.500     1.500 peak  4170 spectrum    1 weight  0.10000E+01 volume  0.92227E-03 ppm1      6.936 ppm2      6.527 CV     1
 ASSI { 4171}
   (( segid "A   " and resid 63   and name HN  ))
   (  segid "A   " and resid 62   and name HE% )
      4.300     2.300     1.700 peak  4171 spectrum    1 weight  0.10000E+01 volume  0.32062E-03 ppm1      8.482 ppm2      6.527 CV     1
 ASSI { 4171}
   (( segid "B   " and resid 63   and name HN  ))
   (  segid "B   " and resid 62   and name HE% )
      4.300     2.300     1.700 peak  4171 spectrum    1 weight  0.10000E+01 volume  0.32062E-03 ppm1      8.482 ppm2      6.527 CV     1
 ASSI { 4172}
   (( segid "A   " and resid 44   and name HB2 ))
   (  segid "A   " and resid 62   and name HE% )
      3.000     1.100     1.100 peak  4172 spectrum    1 weight  0.10000E+01 volume  0.23573E-02 ppm1      2.293 ppm2      6.527 CV     1
 ASSI { 4172}
   (( segid "B   " and resid 44   and name HB2 ))
   (  segid "B   " and resid 62   and name HE% )
      3.000     1.100     1.100 peak  4172 spectrum    1 weight  0.10000E+01 volume  0.23573E-02 ppm1      2.293 ppm2      6.527 CV     1
 ASSI { 4173}
   (( segid "A   " and resid 64   and name HD2 ))
   (  segid "A   " and resid 62   and name HE% )
      4.300     2.300     1.700 peak  4173 spectrum    1 weight  0.10000E+01 volume  0.58836E-03 ppm1      7.023 ppm2      6.527 CV     1
 ASSI { 4173}
   (( segid "B   " and resid 64   and name HD2 ))
   (  segid "B   " and resid 62   and name HE% )
      4.300     2.300     1.700 peak  4173 spectrum    1 weight  0.10000E+01 volume  0.58836E-03 ppm1      7.023 ppm2      6.527 CV     1
 ASSI { 4174}
   (( segid "A   " and resid 57   and name HD2 ))
   (  segid "A   " and resid 62   and name HE% )
      3.500     1.500     1.500 peak  4174 spectrum    1 weight  0.10000E+01 volume  0.20294E-02 ppm1      3.203 ppm2      6.527 CV     1
 OR { 4174}
   (( segid "A   " and resid 57   and name HD3 ))
   (  segid "A   " and resid 62   and name HE% )
 ASSI { 4174}
   (( segid "B   " and resid 57   and name HD2 ))
   (  segid "B   " and resid 62   and name HE% )
      3.500     1.500     1.500 peak  4174 spectrum    1 weight  0.10000E+01 volume  0.20294E-02 ppm1      3.203 ppm2      6.527 CV     1
 OR { 4174}
   (( segid "B   " and resid 57   and name HD3 ))
   (  segid "B   " and resid 62   and name HE% )
 ASSI { 4176}
   (( segid "A   " and resid 56   and name HA  ))
   (  segid "A   " and resid 62   and name HE% )
      4.800     2.900     1.200 peak  4176 spectrum    1 weight  0.10000E+01 volume  0.68440E-03 ppm1      4.480 ppm2      6.527 CV     1
 ASSI { 4176}
   (( segid "B   " and resid 56   and name HA  ))
   (  segid "B   " and resid 62   and name HE% )
      4.800     2.900     1.200 peak  4176 spectrum    1 weight  0.10000E+01 volume  0.68440E-03 ppm1      4.480 ppm2      6.527 CV     1
 ASSI { 4178}
   (( segid "A   " and resid 56   and name HD2 ))
   (  segid "A   " and resid 62   and name HE% )
      3.800     1.800     1.800 peak  4178 spectrum    1 weight  0.10000E+01 volume  0.10327E-02 ppm1      1.083 ppm2      6.527 CV     1
 ASSI { 4178}
   (( segid "B   " and resid 56   and name HD2 ))
   (  segid "B   " and resid 62   and name HE% )
      3.800     1.800     1.800 peak  4178 spectrum    1 weight  0.10000E+01 volume  0.10327E-02 ppm1      1.083 ppm2      6.527 CV     1
 ASSI { 4179}
   (( segid "A   " and resid 64   and name HA  ))
   (  segid "A   " and resid 62   and name HE% )
      3.400     1.400     1.400 peak  4179 spectrum    1 weight  0.10000E+01 volume  0.81134E-03 ppm1      5.039 ppm2      6.527 CV     1
 ASSI { 4179}
   (( segid "B   " and resid 64   and name HA  ))
   (  segid "B   " and resid 62   and name HE% )
      3.400     1.400     1.400 peak  4179 spectrum    1 weight  0.10000E+01 volume  0.81134E-03 ppm1      5.039 ppm2      6.527 CV     1
 ASSI { 4180}
   (( segid "A   " and resid 56   and name HE2 ))
   (  segid "A   " and resid 62   and name HE% )
      4.900     3.000     1.100 peak  4180 spectrum    1 weight  0.10000E+01 volume  0.42321E-03 ppm1      2.430 ppm2      6.527 CV     1
 ASSI { 4180}
   (( segid "B   " and resid 56   and name HE2 ))
   (  segid "B   " and resid 62   and name HE% )
      4.900     3.000     1.100 peak  4180 spectrum    1 weight  0.10000E+01 volume  0.42321E-03 ppm1      2.430 ppm2      6.527 CV     1
 ASSI { 4181}
   (( segid "A   " and resid 56   and name HE3 ))
   (  segid "A   " and resid 62   and name HE% )
      3.600     1.600     1.600 peak  4181 spectrum    1 weight  0.10000E+01 volume  0.61541E-03 ppm1      2.629 ppm2      6.527 CV     1
 ASSI { 4181}
   (( segid "B   " and resid 56   and name HE3 ))
   (  segid "B   " and resid 62   and name HE% )
      3.600     1.600     1.600 peak  4181 spectrum    1 weight  0.10000E+01 volume  0.61541E-03 ppm1      2.629 ppm2      6.527 CV     1
 ASSI { 4182}
   (( segid "A   " and resid 63   and name HA  ))
   (  segid "A   " and resid 62   and name HE% )
      4.000     2.000     2.000 peak  4182 spectrum    1 weight  0.10000E+01 volume  0.35715E-03 ppm1      4.251 ppm2      6.527 CV     1
 ASSI { 4182}
   (( segid "B   " and resid 63   and name HA  ))
   (  segid "B   " and resid 62   and name HE% )
      4.000     2.000     2.000 peak  4182 spectrum    1 weight  0.10000E+01 volume  0.35715E-03 ppm1      4.251 ppm2      6.527 CV     1
 ASSI { 4184}
   (( segid "A   " and resid 43   and name HG13))
   (  segid "A   " and resid 62   and name HE% )
      5.100     3.200     0.900 peak  4184 spectrum    1 weight  0.10000E+01 volume  0.34640E-03 ppm1      1.261 ppm2      6.527 CV     1
 ASSI { 4184}
   (( segid "B   " and resid 43   and name HG13))
   (  segid "B   " and resid 62   and name HE% )
      5.100     3.200     0.900 peak  4184 spectrum    1 weight  0.10000E+01 volume  0.34640E-03 ppm1      1.261 ppm2      6.527 CV     1
 ASSI { 4187}
   (  segid "A   " and resid 128  and name HD1%)
   (  segid "A   " and resid 62   and name HE% )
      4.000     2.000     2.000 peak  4187 spectrum    1 weight  0.10000E+01 volume  0.22165E-03 ppm1      0.645 ppm2      6.527 CV     1
 ASSI { 4187}
   (  segid "B   " and resid 128  and name HD1%)
   (  segid "B   " and resid 62   and name HE% )
      4.000     2.000     2.000 peak  4187 spectrum    1 weight  0.10000E+01 volume  0.22165E-03 ppm1      0.645 ppm2      6.527 CV     1
 ASSI { 4188}
   (( segid "A   " and resid 44   and name HB3 ))
   (  segid "A   " and resid 62   and name HE% )
      1.900     0.500     0.500 peak  4188 spectrum    1 weight  0.10000E+01 volume  0.45292E-02 ppm1      2.954 ppm2      6.527 CV     1
 ASSI { 4188}
   (( segid "B   " and resid 44   and name HB3 ))
   (  segid "B   " and resid 62   and name HE% )
      1.900     0.500     0.500 peak  4188 spectrum    1 weight  0.10000E+01 volume  0.45292E-02 ppm1      2.954 ppm2      6.527 CV     1
 ASSI { 4192}
   (( segid "A   " and resid 121  and name HG  ))
   (( segid "A   " and resid 120  and name HD1 ))
      3.400     1.500     1.500 peak  4192 spectrum    1 weight  0.10000E+01 volume  0.80083E-03 ppm1      1.785 ppm2      6.585 CV     1
 ASSI { 4192}
   (( segid "B   " and resid 121  and name HG  ))
   (( segid "B   " and resid 120  and name HD1 ))
      3.400     1.500     1.500 peak  4192 spectrum    1 weight  0.10000E+01 volume  0.80083E-03 ppm1      1.785 ppm2      6.585 CV     1
 ASSI { 4197}
   (  segid "A   " and resid 88   and name HD% )
   (( segid "A   " and resid 120  and name HD1 ))
      4.300     2.300     1.700 peak  4197 spectrum    1 weight  0.10000E+01 volume  0.42719E-03 ppm1      6.936 ppm2      6.585 CV     1
 ASSI { 4197}
   (  segid "B   " and resid 88   and name HD% )
   (( segid "B   " and resid 120  and name HD1 ))
      4.300     2.300     1.700 peak  4197 spectrum    1 weight  0.10000E+01 volume  0.42719E-03 ppm1      6.936 ppm2      6.585 CV     1
 ASSI { 4199}
   (( segid "A   " and resid 121  and name HA  ))
   (( segid "A   " and resid 120  and name HD1 ))
      3.600     1.600     1.600 peak  4199 spectrum    1 weight  0.10000E+01 volume  0.71307E-03 ppm1      4.256 ppm2      6.585 CV     1
 ASSI { 4199}
   (( segid "B   " and resid 121  and name HA  ))
   (( segid "B   " and resid 120  and name HD1 ))
      3.600     1.600     1.600 peak  4199 spectrum    1 weight  0.10000E+01 volume  0.71307E-03 ppm1      4.256 ppm2      6.585 CV     1
 ASSI { 4200}
   (  segid "A   " and resid 121  and name HD2%)
   (( segid "A   " and resid 120  and name HD1 ))
      4.000     2.000     2.000 peak  4200 spectrum    1 weight  0.10000E+01 volume  0.46516E-03 ppm1      1.027 ppm2      6.585 CV     1
 OR { 4200}
   (  segid "A   " and resid 121  and name HD1%)
   (( segid "A   " and resid 120  and name HD1 ))
 ASSI { 4200}
   (  segid "B   " and resid 121  and name HD2%)
   (( segid "B   " and resid 120  and name HD1 ))
      4.000     2.000     2.000 peak  4200 spectrum    1 weight  0.10000E+01 volume  0.46516E-03 ppm1      1.027 ppm2      6.585 CV     1
 OR { 4200}
   (  segid "B   " and resid 121  and name HD1%)
   (( segid "B   " and resid 120  and name HD1 ))
 ASSI { 4201}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 120  and name HD1 ))
      4.100     2.100     1.900 peak  4201 spectrum    1 weight  0.10000E+01 volume  0.56518E-03 ppm1      4.017 ppm2      6.585 CV     1
 ASSI { 4201}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 120  and name HD1 ))
      4.100     2.100     1.900 peak  4201 spectrum    1 weight  0.10000E+01 volume  0.56518E-03 ppm1      4.017 ppm2      6.585 CV     1
 ASSI { 4203}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 120  and name HD1 ))
      3.800     1.900     1.900 peak  4203 spectrum    1 weight  0.10000E+01 volume  0.68770E-03 ppm1     -0.199 ppm2      6.585 CV     1
 ASSI { 4203}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 120  and name HD1 ))
      3.800     1.900     1.900 peak  4203 spectrum    1 weight  0.10000E+01 volume  0.68770E-03 ppm1     -0.199 ppm2      6.585 CV     1
 ASSI { 4204}
   (( segid "A   " and resid 120  and name HA  ))
   (( segid "A   " and resid 120  and name HD1 ))
      4.100     2.100     1.900 peak  4204 spectrum    1 weight  0.10000E+01 volume  0.46930E-03 ppm1      3.783 ppm2      6.585 CV     1
 ASSI { 4204}
   (( segid "B   " and resid 120  and name HA  ))
   (( segid "B   " and resid 120  and name HD1 ))
      4.100     2.100     1.900 peak  4204 spectrum    1 weight  0.10000E+01 volume  0.46930E-03 ppm1      3.783 ppm2      6.585 CV     1
 ASSI { 4205}
   (( segid "A   " and resid 125  and name HA  ))
   (( segid "A   " and resid 120  and name HD1 ))
      4.200     2.200     1.800 peak  4205 spectrum    1 weight  0.10000E+01 volume  0.75669E-03 ppm1      3.870 ppm2      6.585 CV     1
 ASSI { 4205}
   (( segid "B   " and resid 125  and name HA  ))
   (( segid "B   " and resid 120  and name HD1 ))
      4.200     2.200     1.800 peak  4205 spectrum    1 weight  0.10000E+01 volume  0.75669E-03 ppm1      3.870 ppm2      6.585 CV     1
 ASSI { 4208}
   (( segid "A   " and resid 127  and name HA  ))
   (( segid "A   " and resid 120  and name HD1 ))
      4.300     2.300     1.700 peak  4208 spectrum    1 weight  0.10000E+01 volume  0.30765E-03 ppm1      5.141 ppm2      6.585 CV     1
 ASSI { 4208}
   (( segid "B   " and resid 127  and name HA  ))
   (( segid "B   " and resid 120  and name HD1 ))
      4.300     2.300     1.700 peak  4208 spectrum    1 weight  0.10000E+01 volume  0.30765E-03 ppm1      5.141 ppm2      6.585 CV     1
 ASSI { 4211}
   (  segid "A   " and resid 121  and name HD2%)
   (( segid "A   " and resid 120  and name HD1 ))
      3.200     1.300     1.300 peak  4211 spectrum    1 weight  0.10000E+01 volume  0.15399E-02 ppm1      0.981 ppm2      6.585 CV     1
 ASSI { 4211}
   (  segid "B   " and resid 121  and name HD2%)
   (( segid "B   " and resid 120  and name HD1 ))
      3.200     1.300     1.300 peak  4211 spectrum    1 weight  0.10000E+01 volume  0.15399E-02 ppm1      0.981 ppm2      6.585 CV     1
 ASSI { 4212}
   (( segid "A   " and resid 120  and name HB3 ))
   (( segid "A   " and resid 120  and name HD1 ))
      3.800     1.800     1.800 peak  4212 spectrum    1 weight  0.10000E+01 volume  0.33280E-03 ppm1      3.458 ppm2      6.585 CV     1
 OR { 4212}
   (( segid "A   " and resid 120  and name HB2 ))
   (( segid "A   " and resid 120  and name HD1 ))
 ASSI { 4212}
   (( segid "B   " and resid 120  and name HB3 ))
   (( segid "B   " and resid 120  and name HD1 ))
      3.800     1.800     1.800 peak  4212 spectrum    1 weight  0.10000E+01 volume  0.33280E-03 ppm1      3.458 ppm2      6.585 CV     1
 OR { 4212}
   (( segid "B   " and resid 120  and name HB2 ))
   (( segid "B   " and resid 120  and name HD1 ))
 ASSI { 4213}
   (( segid "A   " and resid 57   and name HB2 ))
   (( segid "A   " and resid 120  and name HD1 ))
      5.800     4.200     0.200 peak  4213 spectrum    1 weight  0.10000E+01 volume  0.19698E-03 ppm1      0.239 ppm2      6.585 CV     1
 ASSI { 4213}
   (( segid "B   " and resid 57   and name HB2 ))
   (( segid "B   " and resid 120  and name HD1 ))
      5.800     4.200     0.200 peak  4213 spectrum    1 weight  0.10000E+01 volume  0.19698E-03 ppm1      0.239 ppm2      6.585 CV     1
 ASSI { 4215}
   (( segid "A   " and resid 27   and name HD2 ))
   (  segid "A   " and resid 88   and name HE% )
      4.700     2.700     1.300 peak  4215 spectrum    1 weight  0.10000E+01 volume  0.44948E-03 ppm1      3.890 ppm2      6.691 CV     1
 ASSI { 4215}
   (( segid "B   " and resid 27   and name HD2 ))
   (  segid "B   " and resid 88   and name HE% )
      4.700     2.700     1.300 peak  4215 spectrum    1 weight  0.10000E+01 volume  0.44948E-03 ppm1      3.890 ppm2      6.691 CV     1
 ASSI { 4218}
   (( segid "A   " and resid 44   and name HB2 ))
   (  segid "A   " and resid 88   and name HE% )
      4.000     2.000     2.000 peak  4218 spectrum    1 weight  0.10000E+01 volume  0.41257E-03 ppm1      2.288 ppm2      6.691 CV     1
 ASSI { 4218}
   (( segid "B   " and resid 44   and name HB2 ))
   (  segid "B   " and resid 88   and name HE% )
      4.000     2.000     2.000 peak  4218 spectrum    1 weight  0.10000E+01 volume  0.41257E-03 ppm1      2.288 ppm2      6.691 CV     1
 ASSI { 4219}
   (( segid "A   " and resid 117  and name HA  ))
   (  segid "A   " and resid 88   and name HE% )
      2.400     0.700     0.700 peak  4219 spectrum    1 weight  0.10000E+01 volume  0.28512E-02 ppm1      4.327 ppm2      6.691 CV     1
 ASSI { 4219}
   (( segid "B   " and resid 117  and name HA  ))
   (  segid "B   " and resid 88   and name HE% )
      2.400     0.700     0.700 peak  4219 spectrum    1 weight  0.10000E+01 volume  0.28512E-02 ppm1      4.327 ppm2      6.691 CV     1
 ASSI { 4220}
   (  segid "A   " and resid 88   and name HD% )
   (  segid "A   " and resid 88   and name HE% )
      2.100     0.600     0.600 peak  4220 spectrum    1 weight  0.10000E+01 volume  0.77270E-02 ppm1      6.936 ppm2      6.691 CV     1
 ASSI { 4220}
   (  segid "B   " and resid 88   and name HD% )
   (  segid "B   " and resid 88   and name HE% )
      2.100     0.600     0.600 peak  4220 spectrum    1 weight  0.10000E+01 volume  0.77270E-02 ppm1      6.936 ppm2      6.691 CV     1
 ASSI { 4221}
   (( segid "A   " and resid 120  and name HD1 ))
   (  segid "A   " and resid 88   and name HE% )
      3.700     1.700     1.700 peak  4221 spectrum    1 weight  0.10000E+01 volume  0.12291E-02 ppm1      6.585 ppm2      6.691 CV     1
 ASSI { 4221}
   (( segid "B   " and resid 120  and name HD1 ))
   (  segid "B   " and resid 88   and name HE% )
      3.700     1.700     1.700 peak  4221 spectrum    1 weight  0.10000E+01 volume  0.12291E-02 ppm1      6.585 ppm2      6.691 CV     1
 ASSI { 4223}
   (( segid "A   " and resid 120  and name HB2 ))
   (  segid "A   " and resid 88   and name HE% )
      3.900     1.900     1.900 peak  4223 spectrum    1 weight  0.10000E+01 volume  0.60271E-03 ppm1      3.453 ppm2      6.691 CV     1
 OR { 4223}
   (( segid "A   " and resid 120  and name HB3 ))
   (  segid "A   " and resid 88   and name HE% )
 ASSI { 4223}
   (( segid "B   " and resid 120  and name HB2 ))
   (  segid "B   " and resid 88   and name HE% )
      3.900     1.900     1.900 peak  4223 spectrum    1 weight  0.10000E+01 volume  0.60271E-03 ppm1      3.453 ppm2      6.691 CV     1
 OR { 4223}
   (( segid "B   " and resid 120  and name HB3 ))
   (  segid "B   " and resid 88   and name HE% )
 ASSI { 4224}
   (( segid "A   " and resid 113  and name HB2 ))
   (  segid "A   " and resid 88   and name HE% )
      4.800     2.900     1.200 peak  4224 spectrum    1 weight  0.10000E+01 volume  0.18997E-03 ppm1      3.361 ppm2      6.691 CV     1
 ASSI { 4224}
   (( segid "B   " and resid 113  and name HB2 ))
   (  segid "B   " and resid 88   and name HE% )
      4.800     2.900     1.200 peak  4224 spectrum    1 weight  0.10000E+01 volume  0.18997E-03 ppm1      3.361 ppm2      6.691 CV     1
 ASSI { 4225}
   (( segid "A   " and resid 56   and name HA  ))
   (  segid "A   " and resid 88   and name HE% )
      4.400     2.500     1.600 peak  4225 spectrum    1 weight  0.10000E+01 volume  0.30621E-03 ppm1      4.485 ppm2      6.697 CV     1
 ASSI { 4225}
   (( segid "B   " and resid 56   and name HA  ))
   (  segid "B   " and resid 88   and name HE% )
      4.400     2.500     1.600 peak  4225 spectrum    1 weight  0.10000E+01 volume  0.30621E-03 ppm1      4.485 ppm2      6.697 CV     1
 ASSI { 4227}
   (( segid "A   " and resid 57   and name HD3 ))
   (  segid "A   " and resid 88   and name HE% )
      3.900     1.900     1.900 peak  4227 spectrum    1 weight  0.10000E+01 volume  0.32609E-03 ppm1      3.249 ppm2      6.697 CV     1
 OR { 4227}
   (( segid "A   " and resid 57   and name HD2 ))
   (  segid "A   " and resid 88   and name HE% )
 ASSI { 4227}
   (( segid "B   " and resid 57   and name HD3 ))
   (  segid "B   " and resid 88   and name HE% )
      3.900     1.900     1.900 peak  4227 spectrum    1 weight  0.10000E+01 volume  0.32609E-03 ppm1      3.249 ppm2      6.697 CV     1
 OR { 4227}
   (( segid "B   " and resid 57   and name HD2 ))
   (  segid "B   " and resid 88   and name HE% )
 ASSI { 4234}
   (( segid "A   " and resid 116  and name HA1 ))
   (  segid "A   " and resid 88   and name HE% )
      4.900     2.900     1.100 peak  4234 spectrum    1 weight  0.10000E+01 volume  0.17148E-03 ppm1      3.147 ppm2      6.697 CV     1
 ASSI { 4234}
   (( segid "B   " and resid 116  and name HA1 ))
   (  segid "B   " and resid 88   and name HE% )
      4.900     2.900     1.100 peak  4234 spectrum    1 weight  0.10000E+01 volume  0.17148E-03 ppm1      3.147 ppm2      6.697 CV     1
 ASSI { 4236}
   (( segid "A   " and resid 84   and name HB3 ))
   (  segid "A   " and resid 111  and name HE% )
      3.800     1.800     1.800 peak  4236 spectrum    1 weight  0.10000E+01 volume  0.22988E-02 ppm1      2.436 ppm2      6.703 CV     1
 ASSI { 4236}
   (( segid "B   " and resid 84   and name HB3 ))
   (  segid "B   " and resid 111  and name HE% )
      3.800     1.800     1.800 peak  4236 spectrum    1 weight  0.10000E+01 volume  0.22988E-02 ppm1      2.436 ppm2      6.703 CV     1
 ASSI { 4237}
   (  segid "A   " and resid 33   and name HD2%)
   (  segid "A   " and resid 111  and name HE% )
      3.400     1.500     1.500 peak  4237 spectrum    1 weight  0.10000E+01 volume  0.11999E-02 ppm1      0.056 ppm2      6.703 CV     1
 ASSI { 4237}
   (  segid "B   " and resid 33   and name HD2%)
   (  segid "B   " and resid 111  and name HE% )
      3.400     1.500     1.500 peak  4237 spectrum    1 weight  0.10000E+01 volume  0.11999E-02 ppm1      0.056 ppm2      6.703 CV     1
 ASSI { 4238}
   (( segid "A   " and resid 111  and name HB3 ))
   (  segid "A   " and resid 111  and name HE% )
      5.000     3.100     1.000 peak  4238 spectrum    1 weight  0.10000E+01 volume  0.26244E-03 ppm1      3.046 ppm2      6.703 CV     1
 ASSI { 4238}
   (( segid "B   " and resid 111  and name HB3 ))
   (  segid "B   " and resid 111  and name HE% )
      5.000     3.100     1.000 peak  4238 spectrum    1 weight  0.10000E+01 volume  0.26244E-03 ppm1      3.046 ppm2      6.703 CV     1
 ASSI { 4246}
   (  segid "A   " and resid 111  and name HD% )
   (  segid "A   " and resid 111  and name HE% )
      2.000     0.500     0.500 peak  4246 spectrum    1 weight  0.10000E+01 volume  0.11480E-01 ppm1      6.977 ppm2      6.703 CV     1
 ASSI { 4246}
   (  segid "B   " and resid 111  and name HD% )
   (  segid "B   " and resid 111  and name HE% )
      2.000     0.500     0.500 peak  4246 spectrum    1 weight  0.10000E+01 volume  0.11480E-01 ppm1      6.977 ppm2      6.703 CV     1
 ASSI { 4247}
   (( segid "A   " and resid 111  and name HB2 ))
   (  segid "A   " and resid 111  and name HE% )
      4.000     2.000     2.000 peak  4247 spectrum    1 weight  0.10000E+01 volume  0.14030E-02 ppm1      2.914 ppm2      6.703 CV     1
 ASSI { 4247}
   (( segid "B   " and resid 111  and name HB2 ))
   (  segid "B   " and resid 111  and name HE% )
      4.000     2.000     2.000 peak  4247 spectrum    1 weight  0.10000E+01 volume  0.14030E-02 ppm1      2.914 ppm2      6.703 CV     1
 ASSI { 4251}
   (  segid "A   " and resid 40   and name HG2%)
   (  segid "A   " and resid 111  and name HE% )
      2.900     1.100     1.100 peak  4251 spectrum    1 weight  0.10000E+01 volume  0.16238E-02 ppm1      0.666 ppm2      6.703 CV     1
 ASSI { 4251}
   (  segid "B   " and resid 40   and name HG2%)
   (  segid "B   " and resid 111  and name HE% )
      2.900     1.100     1.100 peak  4251 spectrum    1 weight  0.10000E+01 volume  0.16238E-02 ppm1      0.666 ppm2      6.703 CV     1
 ASSI { 4252}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 111  and name HE% )
      4.700     2.800     1.300 peak  4252 spectrum    1 weight  0.10000E+01 volume  0.35449E-03 ppm1      7.114 ppm2      6.703 CV     1
 ASSI { 4252}
   (( segid "B   " and resid 41   and name HN  ))
   (  segid "B   " and resid 111  and name HE% )
      4.700     2.800     1.300 peak  4252 spectrum    1 weight  0.10000E+01 volume  0.35449E-03 ppm1      7.114 ppm2      6.703 CV     1
 ASSI { 4253}
   (( segid "A   " and resid 109  and name HB  ))
   (  segid "A   " and resid 111  and name HE% )
      3.700     1.700     1.700 peak  4253 spectrum    1 weight  0.10000E+01 volume  0.63030E-03 ppm1      3.707 ppm2      6.703 CV     1
 ASSI { 4253}
   (( segid "B   " and resid 109  and name HB  ))
   (  segid "B   " and resid 111  and name HE% )
      3.700     1.700     1.700 peak  4253 spectrum    1 weight  0.10000E+01 volume  0.63030E-03 ppm1      3.707 ppm2      6.703 CV     1
 ASSI { 4254}
   (( segid "A   " and resid 84   and name HG3 ))
   (  segid "A   " and resid 111  and name HE% )
      4.300     2.300     1.700 peak  4254 spectrum    1 weight  0.10000E+01 volume  0.99180E-03 ppm1      2.181 ppm2      6.703 CV     1
 ASSI { 4254}
   (( segid "B   " and resid 84   and name HG3 ))
   (  segid "B   " and resid 111  and name HE% )
      4.300     2.300     1.700 peak  4254 spectrum    1 weight  0.10000E+01 volume  0.99180E-03 ppm1      2.181 ppm2      6.703 CV     1
 ASSI { 4256}
   (( segid "A   " and resid 84   and name HA  ))
   (  segid "A   " and resid 111  and name HE% )
      4.000     2.000     2.000 peak  4256 spectrum    1 weight  0.10000E+01 volume  0.78374E-03 ppm1      5.105 ppm2      6.703 CV     1
 ASSI { 4256}
   (( segid "B   " and resid 84   and name HA  ))
   (  segid "B   " and resid 111  and name HE% )
      4.000     2.000     2.000 peak  4256 spectrum    1 weight  0.10000E+01 volume  0.78374E-03 ppm1      5.105 ppm2      6.703 CV     1
 ASSI { 4258}
   (( segid "A   " and resid 33   and name HB2 ))
   (  segid "A   " and resid 111  and name HE% )
      4.700     2.800     1.300 peak  4258 spectrum    1 weight  0.10000E+01 volume  0.45606E-03 ppm1      1.459 ppm2      6.703 CV     1
 ASSI { 4258}
   (( segid "B   " and resid 33   and name HB2 ))
   (  segid "B   " and resid 111  and name HE% )
      4.700     2.800     1.300 peak  4258 spectrum    1 weight  0.10000E+01 volume  0.45606E-03 ppm1      1.459 ppm2      6.703 CV     1
 ASSI { 4259}
   (( segid "A   " and resid 111  and name HA  ))
   (  segid "A   " and resid 111  and name HE% )
      4.400     2.400     1.600 peak  4259 spectrum    1 weight  0.10000E+01 volume  0.54674E-03 ppm1      5.782 ppm2      6.703 CV     1
 ASSI { 4259}
   (( segid "B   " and resid 111  and name HA  ))
   (  segid "B   " and resid 111  and name HE% )
      4.400     2.400     1.600 peak  4259 spectrum    1 weight  0.10000E+01 volume  0.54674E-03 ppm1      5.782 ppm2      6.703 CV     1
 ASSI { 4277}
   (( segid "A   " and resid 44   and name HB3 ))
   (  segid "A   " and resid 62   and name HD% )
      4.400     2.400     1.600 peak  4277 spectrum    1 weight  0.10000E+01 volume  0.81794E-03 ppm1      2.959 ppm2      6.744 CV     1
 ASSI { 4277}
   (( segid "B   " and resid 44   and name HB3 ))
   (  segid "B   " and resid 62   and name HD% )
      4.400     2.400     1.600 peak  4277 spectrum    1 weight  0.10000E+01 volume  0.81794E-03 ppm1      2.959 ppm2      6.744 CV     1
 ASSI { 4280}
   (( segid "A   " and resid 42   and name HB3 ))
   (  segid "A   " and resid 62   and name HD% )
      4.200     2.200     1.800 peak  4280 spectrum    1 weight  0.10000E+01 volume  0.21553E-03 ppm1      1.683 ppm2      6.744 CV     1
 ASSI { 4280}
   (( segid "B   " and resid 42   and name HB3 ))
   (  segid "B   " and resid 62   and name HD% )
      4.200     2.200     1.800 peak  4280 spectrum    1 weight  0.10000E+01 volume  0.21553E-03 ppm1      1.683 ppm2      6.744 CV     1
 ASSI { 4284}
   (( segid "A   " and resid 62   and name HB3 ))
   (  segid "A   " and resid 62   and name HD% )
      2.200     0.600     0.600 peak  4284 spectrum    1 weight  0.10000E+01 volume  0.79092E-02 ppm1      2.725 ppm2      6.744 CV     1
 OR { 4284}
   (( segid "A   " and resid 62   and name HB2 ))
   (  segid "A   " and resid 62   and name HD% )
 ASSI { 4284}
   (( segid "B   " and resid 62   and name HB3 ))
   (  segid "B   " and resid 62   and name HD% )
      2.200     0.600     0.600 peak  4284 spectrum    1 weight  0.10000E+01 volume  0.79092E-02 ppm1      2.725 ppm2      6.744 CV     1
 OR { 4284}
   (( segid "B   " and resid 62   and name HB2 ))
   (  segid "B   " and resid 62   and name HD% )
 ASSI { 4286}
   (( segid "A   " and resid 62   and name HA  ))
   (  segid "A   " and resid 62   and name HD% )
      3.500     1.500     1.500 peak  4286 spectrum    1 weight  0.10000E+01 volume  0.10150E-02 ppm1      4.861 ppm2      6.744 CV     1
 ASSI { 4286}
   (( segid "B   " and resid 62   and name HA  ))
   (  segid "B   " and resid 62   and name HD% )
      3.500     1.500     1.500 peak  4286 spectrum    1 weight  0.10000E+01 volume  0.10150E-02 ppm1      4.861 ppm2      6.744 CV     1
 ASSI { 4287}
   (  segid "A   " and resid 59   and name HG2%)
   (  segid "A   " and resid 62   and name HD% )
      3.600     1.600     1.600 peak  4287 spectrum    1 weight  0.10000E+01 volume  0.32138E-02 ppm1      0.681 ppm2      6.744 CV     1
 ASSI { 4287}
   (  segid "B   " and resid 59   and name HG2%)
   (  segid "B   " and resid 62   and name HD% )
      3.600     1.600     1.600 peak  4287 spectrum    1 weight  0.10000E+01 volume  0.32138E-02 ppm1      0.681 ppm2      6.744 CV     1
 ASSI { 4290}
   (( segid "A   " and resid 61   and name HA  ))
   (  segid "A   " and resid 62   and name HD% )
      5.100     3.300     0.900 peak  4290 spectrum    1 weight  0.10000E+01 volume  0.32918E-03 ppm1      4.943 ppm2      6.744 CV     1
 ASSI { 4290}
   (( segid "B   " and resid 61   and name HA  ))
   (  segid "B   " and resid 62   and name HD% )
      5.100     3.300     0.900 peak  4290 spectrum    1 weight  0.10000E+01 volume  0.32918E-03 ppm1      4.943 ppm2      6.744 CV     1
 ASSI { 4291}
   (( segid "A   " and resid 44   and name HB2 ))
   (  segid "A   " and resid 62   and name HD% )
      3.800     1.800     1.800 peak  4291 spectrum    1 weight  0.10000E+01 volume  0.83617E-03 ppm1      2.293 ppm2      6.744 CV     1
 ASSI { 4291}
   (( segid "B   " and resid 44   and name HB2 ))
   (  segid "B   " and resid 62   and name HD% )
      3.800     1.800     1.800 peak  4291 spectrum    1 weight  0.10000E+01 volume  0.83617E-03 ppm1      2.293 ppm2      6.744 CV     1
 ASSI { 4298}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HZ  ))
      3.400     1.500     1.500 peak  4298 spectrum    1 weight  0.10000E+01 volume  0.16343E-02 ppm1      7.460 ppm2      6.832 CV     1
 ASSI { 4298}
   (  segid "B   " and resid 7    and name HD% )
   (( segid "B   " and resid 7    and name HZ  ))
      3.400     1.500     1.500 peak  4298 spectrum    1 weight  0.10000E+01 volume  0.16343E-02 ppm1      7.460 ppm2      6.832 CV     1
 ASSI { 4299}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "B   " and resid 7    and name HZ  ))
      4.000     2.000     2.000 peak  4299 spectrum    1 weight  0.10000E+01 volume  0.22932E-02 ppm1      0.874 ppm2      6.832 CV     1
 ASSI { 4299}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "A   " and resid 7    and name HZ  ))
      4.000     2.000     2.000 peak  4299 spectrum    1 weight  0.10000E+01 volume  0.22932E-02 ppm1      0.874 ppm2      6.832 CV     1
 ASSI { 4300}
   (( segid "A   " and resid 79   and name HG  ))
   (( segid "B   " and resid 7    and name HZ  ))
      3.500     1.500     1.500 peak  4300 spectrum    1 weight  0.10000E+01 volume  0.40716E-02 ppm1      1.408 ppm2      6.832 CV     1
 ASSI { 4300}
   (( segid "B   " and resid 79   and name HG  ))
   (( segid "A   " and resid 7    and name HZ  ))
      3.500     1.500     1.500 peak  4300 spectrum    1 weight  0.10000E+01 volume  0.40716E-02 ppm1      1.408 ppm2      6.832 CV     1
 ASSI { 4305}
   (( segid "A   " and resid 80   and name HA  ))
   (( segid "B   " and resid 7    and name HZ  ))
      3.500     1.500     1.500 peak  4305 spectrum    1 weight  0.10000E+01 volume  0.91344E-03 ppm1      4.994 ppm2      6.832 CV     1
 ASSI { 4305}
   (( segid "B   " and resid 80   and name HA  ))
   (( segid "A   " and resid 7    and name HZ  ))
      3.500     1.500     1.500 peak  4305 spectrum    1 weight  0.10000E+01 volume  0.91344E-03 ppm1      4.994 ppm2      6.832 CV     1
 ASSI { 4309}
   (  segid "A   " and resid 79   and name HD1%)
   (( segid "B   " and resid 7    and name HZ  ))
      3.300     1.400     1.400 peak  4309 spectrum    1 weight  0.10000E+01 volume  0.28358E-02 ppm1      0.737 ppm2      6.832 CV     1
 ASSI { 4309}
   (  segid "B   " and resid 79   and name HD1%)
   (( segid "A   " and resid 7    and name HZ  ))
      3.300     1.400     1.400 peak  4309 spectrum    1 weight  0.10000E+01 volume  0.28358E-02 ppm1      0.737 ppm2      6.832 CV     1
 ASSI { 4310}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "B   " and resid 7    and name HZ  ))
      3.600     1.600     1.600 peak  4310 spectrum    1 weight  0.10000E+01 volume  0.24031E-02 ppm1      0.157 ppm2      6.832 CV     1
 ASSI { 4310}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "A   " and resid 7    and name HZ  ))
      3.600     1.600     1.600 peak  4310 spectrum    1 weight  0.10000E+01 volume  0.24031E-02 ppm1      0.157 ppm2      6.832 CV     1
 ASSI { 4312}
   (  segid "A   " and resid 34   and name HD1%)
   (( segid "A   " and resid 120  and name HH2 ))
      2.400     0.700     0.700 peak  4312 spectrum    1 weight  0.10000E+01 volume  0.44230E-02 ppm1      0.935 ppm2      6.838 CV     1
 ASSI { 4312}
   (  segid "B   " and resid 34   and name HD1%)
   (( segid "B   " and resid 120  and name HH2 ))
      2.400     0.700     0.700 peak  4312 spectrum    1 weight  0.10000E+01 volume  0.44230E-02 ppm1      0.935 ppm2      6.838 CV     1
 ASSI { 4313}
   (( segid "A   " and resid 120  and name HZ3 ))
   (( segid "A   " and resid 120  and name HH2 ))
      2.100     0.500     0.500 peak  4313 spectrum    1 weight  0.10000E+01 volume  0.10895E-01 ppm1      7.033 ppm2      6.838 CV     1
 OR { 4313}
   (( segid "A   " and resid 120  and name HZ2 ))
   (( segid "A   " and resid 120  and name HH2 ))
 ASSI { 4313}
   (( segid "B   " and resid 120  and name HZ3 ))
   (( segid "B   " and resid 120  and name HH2 ))
      2.100     0.500     0.500 peak  4313 spectrum    1 weight  0.10000E+01 volume  0.10895E-01 ppm1      7.033 ppm2      6.838 CV     1
 OR { 4313}
   (( segid "B   " and resid 120  and name HZ2 ))
   (( segid "B   " and resid 120  and name HH2 ))
 ASSI { 4316}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 120  and name HH2 ))
      2.600     0.900     0.900 peak  4316 spectrum    1 weight  0.10000E+01 volume  0.45952E-02 ppm1      4.114 ppm2      6.838 CV     1
 ASSI { 4316}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 120  and name HH2 ))
      2.600     0.900     0.900 peak  4316 spectrum    1 weight  0.10000E+01 volume  0.45952E-02 ppm1      4.114 ppm2      6.838 CV     1
 ASSI { 4320}
   (( segid "A   " and resid 32   and name HA  ))
   (  segid "A   " and resid 31   and name HE% )
      3.800     1.800     1.800 peak  4320 spectrum    1 weight  0.10000E+01 volume  0.65900E-03 ppm1      3.829 ppm2      6.849 CV     1
 ASSI { 4320}
   (( segid "B   " and resid 32   and name HA  ))
   (  segid "B   " and resid 31   and name HE% )
      3.800     1.800     1.800 peak  4320 spectrum    1 weight  0.10000E+01 volume  0.65900E-03 ppm1      3.829 ppm2      6.849 CV     1
 ASSI { 4322}
   (( segid "A   " and resid 126  and name HB3 ))
   (  segid "A   " and resid 31   and name HE% )
      4.400     2.400     1.600 peak  4322 spectrum    1 weight  0.10000E+01 volume  0.84721E-03 ppm1      2.425 ppm2      6.849 CV     1
 ASSI { 4322}
   (( segid "B   " and resid 126  and name HB3 ))
   (  segid "B   " and resid 31   and name HE% )
      4.400     2.400     1.600 peak  4322 spectrum    1 weight  0.10000E+01 volume  0.84721E-03 ppm1      2.425 ppm2      6.849 CV     1
 ASSI { 4324}
   (  segid "A   " and resid 31   and name HD% )
   (  segid "A   " and resid 31   and name HE% )
      1.900     0.500     0.500 peak  4324 spectrum    1 weight  0.10000E+01 volume  0.20835E-01 ppm1      7.094 ppm2      6.849 CV     1
 ASSI { 4324}
   (  segid "B   " and resid 31   and name HD% )
   (  segid "B   " and resid 31   and name HE% )
      1.900     0.500     0.500 peak  4324 spectrum    1 weight  0.10000E+01 volume  0.20835E-01 ppm1      7.094 ppm2      6.849 CV     1
 ASSI { 4325}
   (( segid "A   " and resid 120  and name HE1 ))
   (  segid "A   " and resid 31   and name HE% )
      5.100     3.300     0.900 peak  4325 spectrum    1 weight  0.10000E+01 volume  0.22767E-03 ppm1      9.804 ppm2      6.849 CV     1
 ASSI { 4325}
   (( segid "B   " and resid 120  and name HE1 ))
   (  segid "B   " and resid 31   and name HE% )
      5.100     3.300     0.900 peak  4325 spectrum    1 weight  0.10000E+01 volume  0.22767E-03 ppm1      9.804 ppm2      6.849 CV     1
 ASSI { 4328}
   (( segid "A   " and resid 31   and name HB2 ))
   (  segid "A   " and resid 31   and name HE% )
      3.500     1.500     1.500 peak  4328 spectrum    1 weight  0.10000E+01 volume  0.23849E-02 ppm1      2.741 ppm2      6.849 CV     1
 ASSI { 4328}
   (( segid "B   " and resid 31   and name HB2 ))
   (  segid "B   " and resid 31   and name HE% )
      3.500     1.500     1.500 peak  4328 spectrum    1 weight  0.10000E+01 volume  0.23849E-02 ppm1      2.741 ppm2      6.849 CV     1
 ASSI { 4329}
   (  segid "A   " and resid 59   and name HG2%)
   (  segid "A   " and resid 31   and name HE% )
      4.300     2.300     1.700 peak  4329 spectrum    1 weight  0.10000E+01 volume  0.15035E-02 ppm1      0.681 ppm2      6.849 CV     1
 ASSI { 4329}
   (  segid "B   " and resid 59   and name HG2%)
   (  segid "B   " and resid 31   and name HE% )
      4.300     2.300     1.700 peak  4329 spectrum    1 weight  0.10000E+01 volume  0.15035E-02 ppm1      0.681 ppm2      6.849 CV     1
 ASSI { 4330}
   (( segid "A   " and resid 31   and name HB3 ))
   (  segid "A   " and resid 31   and name HE% )
      3.500     1.500     1.500 peak  4330 spectrum    1 weight  0.10000E+01 volume  0.29092E-02 ppm1      2.888 ppm2      6.849 CV     1
 ASSI { 4330}
   (( segid "B   " and resid 31   and name HB3 ))
   (  segid "B   " and resid 31   and name HE% )
      3.500     1.500     1.500 peak  4330 spectrum    1 weight  0.10000E+01 volume  0.29092E-02 ppm1      2.888 ppm2      6.849 CV     1
 ASSI { 4331}
   (( segid "A   " and resid 126  and name HG3 ))
   (  segid "A   " and resid 31   and name HE% )
      3.300     1.400     1.400 peak  4331 spectrum    1 weight  0.10000E+01 volume  0.12402E-02 ppm1      2.202 ppm2      6.849 CV     1
 ASSI { 4331}
   (( segid "B   " and resid 126  and name HG3 ))
   (  segid "B   " and resid 31   and name HE% )
      3.300     1.400     1.400 peak  4331 spectrum    1 weight  0.10000E+01 volume  0.12402E-02 ppm1      2.202 ppm2      6.849 CV     1
 ASSI { 4334}
   (( segid "A   " and resid 57   and name HB2 ))
   (  segid "A   " and resid 31   and name HE% )
      4.500     2.600     1.500 peak  4334 spectrum    1 weight  0.10000E+01 volume  0.12667E-02 ppm1      0.254 ppm2      6.849 CV     1
 ASSI { 4334}
   (( segid "B   " and resid 57   and name HB2 ))
   (  segid "B   " and resid 31   and name HE% )
      4.500     2.600     1.500 peak  4334 spectrum    1 weight  0.10000E+01 volume  0.12667E-02 ppm1      0.254 ppm2      6.849 CV     1
 ASSI { 4336}
   (( segid "A   " and resid 126  and name HG2 ))
   (  segid "A   " and resid 31   and name HE% )
      3.400     1.400     1.400 peak  4336 spectrum    1 weight  0.10000E+01 volume  0.15515E-02 ppm1      1.952 ppm2      6.849 CV     1
 ASSI { 4336}
   (( segid "B   " and resid 126  and name HG2 ))
   (  segid "B   " and resid 31   and name HE% )
      3.400     1.400     1.400 peak  4336 spectrum    1 weight  0.10000E+01 volume  0.15515E-02 ppm1      1.952 ppm2      6.849 CV     1
 ASSI { 4345}
   (( segid "A   " and resid 88   and name HA  ))
   (  segid "A   " and resid 88   and name HD% )
      2.800     1.000     1.000 peak  4345 spectrum    1 weight  0.10000E+01 volume  0.22778E-02 ppm1      5.492 ppm2      6.931 CV     1
 ASSI { 4345}
   (( segid "B   " and resid 88   and name HA  ))
   (  segid "B   " and resid 88   and name HD% )
      2.800     1.000     1.000 peak  4345 spectrum    1 weight  0.10000E+01 volume  0.22778E-02 ppm1      5.492 ppm2      6.931 CV     1
 ASSI { 4347}
   (( segid "A   " and resid 44   and name HB2 ))
   (  segid "A   " and resid 88   and name HD% )
      2.800     1.000     1.000 peak  4347 spectrum    1 weight  0.10000E+01 volume  0.19174E-02 ppm1      2.283 ppm2      6.931 CV     1
 ASSI { 4347}
   (( segid "B   " and resid 44   and name HB2 ))
   (  segid "B   " and resid 88   and name HD% )
      2.800     1.000     1.000 peak  4347 spectrum    1 weight  0.10000E+01 volume  0.19174E-02 ppm1      2.283 ppm2      6.931 CV     1
 ASSI { 4348}
   (( segid "A   " and resid 113  and name HB3 ))
   (  segid "A   " and resid 88   and name HD% )
      3.600     1.600     1.600 peak  4348 spectrum    1 weight  0.10000E+01 volume  0.38398E-02 ppm1      4.439 ppm2      6.931 CV     1
 ASSI { 4348}
   (( segid "B   " and resid 113  and name HB3 ))
   (  segid "B   " and resid 88   and name HD% )
      3.600     1.600     1.600 peak  4348 spectrum    1 weight  0.10000E+01 volume  0.38398E-02 ppm1      4.439 ppm2      6.931 CV     1
 ASSI { 4349}
   (( segid "A   " and resid 88   and name HB3 ))
   (  segid "A   " and resid 88   and name HD% )
      2.200     0.600     0.600 peak  4349 spectrum    1 weight  0.10000E+01 volume  0.47057E-02 ppm1      2.853 ppm2      6.931 CV     1
 ASSI { 4349}
   (( segid "B   " and resid 88   and name HB3 ))
   (  segid "B   " and resid 88   and name HD% )
      2.200     0.600     0.600 peak  4349 spectrum    1 weight  0.10000E+01 volume  0.47057E-02 ppm1      2.853 ppm2      6.931 CV     1
 ASSI { 4350}
   (( segid "A   " and resid 113  and name HB2 ))
   (  segid "A   " and resid 88   and name HD% )
      2.000     0.500     0.500 peak  4350 spectrum    1 weight  0.10000E+01 volume  0.41945E-02 ppm1      3.387 ppm2      6.931 CV     1
 ASSI { 4350}
   (( segid "B   " and resid 113  and name HB2 ))
   (  segid "B   " and resid 88   and name HD% )
      2.000     0.500     0.500 peak  4350 spectrum    1 weight  0.10000E+01 volume  0.41945E-02 ppm1      3.387 ppm2      6.931 CV     1
 ASSI { 4351}
   (( segid "A   " and resid 88   and name HB2 ))
   (  segid "A   " and resid 88   and name HD% )
      2.600     0.800     0.800 peak  4351 spectrum    1 weight  0.10000E+01 volume  0.39484E-02 ppm1      2.456 ppm2      6.931 CV     1
 ASSI { 4351}
   (( segid "B   " and resid 88   and name HB2 ))
   (  segid "B   " and resid 88   and name HD% )
      2.600     0.800     0.800 peak  4351 spectrum    1 weight  0.10000E+01 volume  0.39484E-02 ppm1      2.456 ppm2      6.931 CV     1
 ASSI { 4352}
   (( segid "A   " and resid 117  and name HA  ))
   (  segid "A   " and resid 88   and name HD% )
      3.600     1.600     1.600 peak  4352 spectrum    1 weight  0.10000E+01 volume  0.26084E-02 ppm1      4.327 ppm2      6.931 CV     1
 ASSI { 4352}
   (( segid "B   " and resid 117  and name HA  ))
   (  segid "B   " and resid 88   and name HD% )
      3.600     1.600     1.600 peak  4352 spectrum    1 weight  0.10000E+01 volume  0.26084E-02 ppm1      4.327 ppm2      6.931 CV     1
 ASSI { 4360}
   (( segid "A   " and resid 88   and name HN  ))
   (  segid "A   " and resid 88   and name HD% )
      4.500     2.500     1.500 peak  4360 spectrum    1 weight  0.10000E+01 volume  0.66452E-03 ppm1      8.157 ppm2      6.931 CV     1
 ASSI { 4360}
   (( segid "B   " and resid 88   and name HN  ))
   (  segid "B   " and resid 88   and name HD% )
      4.500     2.500     1.500 peak  4360 spectrum    1 weight  0.10000E+01 volume  0.66452E-03 ppm1      8.157 ppm2      6.931 CV     1
 ASSI { 4361}
   (( segid "A   " and resid 57   and name HD3 ))
   (  segid "A   " and resid 88   and name HD% )
      2.700     0.900     0.900 peak  4361 spectrum    1 weight  0.10000E+01 volume  0.24842E-02 ppm1      3.244 ppm2      6.931 CV     1
 OR { 4361}
   (( segid "A   " and resid 57   and name HD2 ))
   (  segid "A   " and resid 88   and name HD% )
 ASSI { 4361}
   (( segid "B   " and resid 57   and name HD3 ))
   (  segid "B   " and resid 88   and name HD% )
      2.700     0.900     0.900 peak  4361 spectrum    1 weight  0.10000E+01 volume  0.24842E-02 ppm1      3.244 ppm2      6.931 CV     1
 OR { 4361}
   (( segid "B   " and resid 57   and name HD2 ))
   (  segid "B   " and resid 88   and name HD% )
 ASSI { 4364}
   (( segid "A   " and resid 44   and name HA  ))
   (  segid "A   " and resid 88   and name HD% )
      3.200     1.300     1.300 peak  4364 spectrum    1 weight  0.10000E+01 volume  0.14913E-02 ppm1      5.151 ppm2      6.931 CV     1
 ASSI { 4364}
   (( segid "B   " and resid 44   and name HA  ))
   (  segid "B   " and resid 88   and name HD% )
      3.200     1.300     1.300 peak  4364 spectrum    1 weight  0.10000E+01 volume  0.14913E-02 ppm1      5.151 ppm2      6.931 CV     1
 ASSI { 4366}
   (( segid "A   " and resid 120  and name HB2 ))
   (  segid "A   " and resid 88   and name HD% )
      3.800     1.800     1.800 peak  4366 spectrum    1 weight  0.10000E+01 volume  0.14747E-02 ppm1      3.437 ppm2      6.931 CV     1
 OR { 4366}
   (( segid "A   " and resid 120  and name HB3 ))
   (  segid "A   " and resid 88   and name HD% )
 ASSI { 4366}
   (( segid "B   " and resid 120  and name HB2 ))
   (  segid "B   " and resid 88   and name HD% )
      3.800     1.800     1.800 peak  4366 spectrum    1 weight  0.10000E+01 volume  0.14747E-02 ppm1      3.437 ppm2      6.931 CV     1
 OR { 4366}
   (( segid "B   " and resid 120  and name HB3 ))
   (  segid "B   " and resid 88   and name HD% )
 ASSI { 4370}
   (( segid "A   " and resid 27   and name HD2 ))
   (  segid "A   " and resid 88   and name HD% )
      4.400     2.500     1.600 peak  4370 spectrum    1 weight  0.10000E+01 volume  0.67722E-03 ppm1      3.910 ppm2      6.931 CV     1
 ASSI { 4370}
   (( segid "B   " and resid 27   and name HD2 ))
   (  segid "B   " and resid 88   and name HD% )
      4.400     2.500     1.600 peak  4370 spectrum    1 weight  0.10000E+01 volume  0.67722E-03 ppm1      3.910 ppm2      6.931 CV     1
 ASSI { 4376}
   (( segid "A   " and resid 27   and name HG3 ))
   (  segid "A   " and resid 88   and name HD% )
      4.100     2.100     1.900 peak  4376 spectrum    1 weight  0.10000E+01 volume  0.59001E-03 ppm1      2.227 ppm2      6.931 CV     1
 ASSI { 4376}
   (( segid "B   " and resid 27   and name HG3 ))
   (  segid "B   " and resid 88   and name HD% )
      4.100     2.100     1.900 peak  4376 spectrum    1 weight  0.10000E+01 volume  0.59001E-03 ppm1      2.227 ppm2      6.931 CV     1
 ASSI { 4377}
   (( segid "A   " and resid 42   and name HB2 ))
   (  segid "A   " and resid 88   and name HD% )
      4.400     2.500     1.600 peak  4377 spectrum    1 weight  0.10000E+01 volume  0.69488E-03 ppm1      1.479 ppm2      6.931 CV     1
 ASSI { 4377}
   (( segid "B   " and resid 42   and name HB2 ))
   (  segid "B   " and resid 88   and name HD% )
      4.400     2.500     1.600 peak  4377 spectrum    1 weight  0.10000E+01 volume  0.69488E-03 ppm1      1.479 ppm2      6.931 CV     1
 ASSI { 4381}
   (( segid "A   " and resid 27   and name HB3 ))
   (  segid "A   " and resid 88   and name HD% )
      3.900     1.900     1.900 peak  4381 spectrum    1 weight  0.10000E+01 volume  0.44617E-03 ppm1      2.654 ppm2      6.931 CV     1
 ASSI { 4381}
   (( segid "B   " and resid 27   and name HB3 ))
   (  segid "B   " and resid 88   and name HD% )
      3.900     1.900     1.900 peak  4381 spectrum    1 weight  0.10000E+01 volume  0.44617E-03 ppm1      2.654 ppm2      6.931 CV     1
 ASSI { 4385}
   (( segid "A   " and resid 112  and name HA  ))
   (  segid "A   " and resid 88   and name HD% )
      5.400     3.700     0.600 peak  4385 spectrum    1 weight  0.10000E+01 volume  0.40594E-03 ppm1      5.411 ppm2      6.931 CV     1
 ASSI { 4385}
   (( segid "B   " and resid 112  and name HA  ))
   (  segid "B   " and resid 88   and name HD% )
      5.400     3.700     0.600 peak  4385 spectrum    1 weight  0.10000E+01 volume  0.40594E-03 ppm1      5.411 ppm2      6.931 CV     1
 ASSI { 4387}
   (( segid "A   " and resid 116  and name HA1 ))
   (  segid "A   " and resid 88   and name HD% )
      3.900     1.900     1.900 peak  4387 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      3.158 ppm2      6.931 CV     1
 ASSI { 4387}
   (( segid "B   " and resid 116  and name HA1 ))
   (  segid "B   " and resid 88   and name HD% )
      3.900     1.900     1.900 peak  4387 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      3.158 ppm2      6.931 CV     1
 ASSI { 4402}
   (( segid "A   " and resid 7    and name HB3 ))
   (  segid "B   " and resid 105  and name HE% )
      4.300     2.300     1.700 peak  4402 spectrum    1 weight  0.10000E+01 volume  0.15167E-02 ppm1      3.437 ppm2      6.967 CV     1
 ASSI { 4402}
   (( segid "B   " and resid 7    and name HB3 ))
   (  segid "A   " and resid 105  and name HE% )
      4.300     2.300     1.700 peak  4402 spectrum    1 weight  0.10000E+01 volume  0.15167E-02 ppm1      3.437 ppm2      6.967 CV     1
 ASSI { 4404}
   (( segid "A   " and resid 105  and name HB3 ))
   (  segid "A   " and resid 105  and name HE% )
      3.900     1.900     1.900 peak  4404 spectrum    1 weight  0.10000E+01 volume  0.12015E-02 ppm1      3.478 ppm2      6.967 CV     1
 ASSI { 4404}
   (( segid "B   " and resid 105  and name HB3 ))
   (  segid "B   " and resid 105  and name HE% )
      3.900     1.900     1.900 peak  4404 spectrum    1 weight  0.10000E+01 volume  0.12015E-02 ppm1      3.478 ppm2      6.967 CV     1
 ASSI { 4405}
   (( segid "A   " and resid 11   and name HB2 ))
   (  segid "B   " and resid 105  and name HE% )
      2.500     0.800     0.800 peak  4405 spectrum    1 weight  0.10000E+01 volume  0.31753E-02 ppm1      3.361 ppm2      6.967 CV     1
 ASSI { 4405}
   (( segid "B   " and resid 11   and name HB2 ))
   (  segid "A   " and resid 105  and name HE% )
      2.500     0.800     0.800 peak  4405 spectrum    1 weight  0.10000E+01 volume  0.31753E-02 ppm1      3.361 ppm2      6.967 CV     1
 ASSI { 4407}
   (  segid "A   " and resid 105  and name HD% )
   (  segid "A   " and resid 105  and name HE% )
      2.100     0.600     0.600 peak  4407 spectrum    1 weight  0.10000E+01 volume  0.80359E-02 ppm1      7.440 ppm2      6.967 CV     1
 ASSI { 4407}
   (  segid "B   " and resid 105  and name HD% )
   (  segid "B   " and resid 105  and name HE% )
      2.100     0.600     0.600 peak  4407 spectrum    1 weight  0.10000E+01 volume  0.80359E-02 ppm1      7.440 ppm2      6.967 CV     1
 ASSI { 4409}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 105  and name HE% )
      3.400     1.500     1.500 peak  4409 spectrum    1 weight  0.10000E+01 volume  0.14444E-02 ppm1     -0.072 ppm2      6.967 CV     1
 ASSI { 4409}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 105  and name HE% )
      3.400     1.500     1.500 peak  4409 spectrum    1 weight  0.10000E+01 volume  0.14444E-02 ppm1     -0.072 ppm2      6.967 CV     1
 ASSI { 4410}
   (( segid "A   " and resid 11   and name HB3 ))
   (  segid "B   " and resid 105  and name HE% )
      3.600     1.600     1.600 peak  4410 spectrum    1 weight  0.10000E+01 volume  0.20907E-02 ppm1      3.585 ppm2      6.967 CV     1
 ASSI { 4410}
   (( segid "B   " and resid 11   and name HB3 ))
   (  segid "A   " and resid 105  and name HE% )
      3.600     1.600     1.600 peak  4410 spectrum    1 weight  0.10000E+01 volume  0.20907E-02 ppm1      3.585 ppm2      6.967 CV     1
 ASSI { 4411}
   (( segid "A   " and resid 10   and name HA  ))
   (  segid "B   " and resid 105  and name HE% )
      4.200     2.200     1.800 peak  4411 spectrum    1 weight  0.10000E+01 volume  0.78981E-03 ppm1      3.890 ppm2      6.967 CV     1
 ASSI { 4411}
   (( segid "B   " and resid 10   and name HA  ))
   (  segid "A   " and resid 105  and name HE% )
      4.200     2.200     1.800 peak  4411 spectrum    1 weight  0.10000E+01 volume  0.78981E-03 ppm1      3.890 ppm2      6.967 CV     1
 ASSI { 4412}
   (( segid "A   " and resid 10   and name HB  ))
   (  segid "B   " and resid 105  and name HE% )
      2.500     0.800     0.800 peak  4412 spectrum    1 weight  0.10000E+01 volume  0.42034E-02 ppm1      4.307 ppm2      6.967 CV     1
 ASSI { 4412}
   (( segid "B   " and resid 10   and name HB  ))
   (  segid "A   " and resid 105  and name HE% )
      2.500     0.800     0.800 peak  4412 spectrum    1 weight  0.10000E+01 volume  0.42034E-02 ppm1      4.307 ppm2      6.967 CV     1
 ASSI { 4416}
   (( segid "A   " and resid 7    and name HA  ))
   (  segid "B   " and resid 105  and name HE% )
      3.800     1.800     1.800 peak  4416 spectrum    1 weight  0.10000E+01 volume  0.11971E-02 ppm1      4.983 ppm2      6.967 CV     1
 ASSI { 4416}
   (( segid "B   " and resid 7    and name HA  ))
   (  segid "A   " and resid 105  and name HE% )
      3.800     1.800     1.800 peak  4416 spectrum    1 weight  0.10000E+01 volume  0.11971E-02 ppm1      4.983 ppm2      6.967 CV     1
 ASSI { 4418}
   (  segid "A   " and resid 74   and name HD2%)
   (  segid "A   " and resid 105  and name HE% )
      3.900     1.900     1.900 peak  4418 spectrum    1 weight  0.10000E+01 volume  0.89411E-03 ppm1      0.157 ppm2      6.972 CV     1
 ASSI { 4418}
   (  segid "B   " and resid 74   and name HD2%)
   (  segid "B   " and resid 105  and name HE% )
      3.900     1.900     1.900 peak  4418 spectrum    1 weight  0.10000E+01 volume  0.89411E-03 ppm1      0.157 ppm2      6.972 CV     1
 ASSI { 4421}
   (( segid "A   " and resid 86   and name HB  ))
   (  segid "A   " and resid 111  and name HD% )
      2.700     0.900     0.900 peak  4421 spectrum    1 weight  0.10000E+01 volume  0.86376E-03 ppm1      1.907 ppm2      6.972 CV     1
 ASSI { 4421}
   (( segid "B   " and resid 86   and name HB  ))
   (  segid "B   " and resid 111  and name HD% )
      2.700     0.900     0.900 peak  4421 spectrum    1 weight  0.10000E+01 volume  0.86376E-03 ppm1      1.907 ppm2      6.972 CV     1
 ASSI { 4422}
   (( segid "A   " and resid 85   and name HB  ))
   (  segid "A   " and resid 111  and name HD% )
      3.600     1.600     1.600 peak  4422 spectrum    1 weight  0.10000E+01 volume  0.16177E-02 ppm1      1.932 ppm2      6.972 CV     1
 ASSI { 4422}
   (( segid "B   " and resid 85   and name HB  ))
   (  segid "B   " and resid 111  and name HD% )
      3.600     1.600     1.600 peak  4422 spectrum    1 weight  0.10000E+01 volume  0.16177E-02 ppm1      1.932 ppm2      6.972 CV     1
 ASSI { 4423}
   (( segid "A   " and resid 29   and name HB3 ))
   (  segid "A   " and resid 111  and name HD% )
      4.000     2.000     2.000 peak  4423 spectrum    1 weight  0.10000E+01 volume  0.16519E-02 ppm1      2.959 ppm2      6.972 CV     1
 ASSI { 4423}
   (( segid "B   " and resid 29   and name HB3 ))
   (  segid "B   " and resid 111  and name HD% )
      4.000     2.000     2.000 peak  4423 spectrum    1 weight  0.10000E+01 volume  0.16519E-02 ppm1      2.959 ppm2      6.972 CV     1
 ASSI { 4424}
   (( segid "A   " and resid 109  and name HB  ))
   (  segid "A   " and resid 111  and name HD% )
      4.300     2.300     1.700 peak  4424 spectrum    1 weight  0.10000E+01 volume  0.38089E-03 ppm1      3.712 ppm2      6.972 CV     1
 ASSI { 4424}
   (( segid "B   " and resid 109  and name HB  ))
   (  segid "B   " and resid 111  and name HD% )
      4.200     2.200     1.800 peak  4424 spectrum    1 weight  0.10000E+01 volume  0.38089E-03 ppm1      3.712 ppm2      6.972 CV     1
 ASSI { 4427}
   (( segid "A   " and resid 11   and name HA  ))
   (  segid "B   " and resid 105  and name HE% )
      3.000     1.100     1.100 peak  4427 spectrum    1 weight  0.10000E+01 volume  0.11806E-02 ppm1      4.922 ppm2      6.972 CV     1
 ASSI { 4427}
   (( segid "B   " and resid 11   and name HA  ))
   (  segid "A   " and resid 105  and name HE% )
      3.000     1.100     1.100 peak  4427 spectrum    1 weight  0.10000E+01 volume  0.11806E-02 ppm1      4.922 ppm2      6.972 CV     1
 ASSI { 4428}
   (( segid "A   " and resid 25   and name HG  ))
   (  segid "A   " and resid 111  and name HD% )
      2.400     0.700     0.700 peak  4428 spectrum    1 weight  0.10000E+01 volume  0.30862E-02 ppm1      1.673 ppm2      6.972 CV     1
 ASSI { 4428}
   (( segid "B   " and resid 25   and name HG  ))
   (  segid "B   " and resid 111  and name HD% )
      2.400     0.700     0.700 peak  4428 spectrum    1 weight  0.10000E+01 volume  0.30862E-02 ppm1      1.673 ppm2      6.972 CV     1
 ASSI { 4430}
   (( segid "A   " and resid 14   and name HB2 ))
   (  segid "B   " and resid 105  and name HE% )
      3.700     1.700     1.700 peak  4430 spectrum    1 weight  0.10000E+01 volume  0.15421E-02 ppm1      1.978 ppm2      6.972 CV     1
 ASSI { 4430}
   (( segid "B   " and resid 14   and name HB2 ))
   (  segid "A   " and resid 105  and name HE% )
      3.700     1.700     1.700 peak  4430 spectrum    1 weight  0.10000E+01 volume  0.15421E-02 ppm1      1.978 ppm2      6.972 CV     1
 ASSI { 4431}
   (( segid "A   " and resid 105  and name HB2 ))
   (  segid "A   " and resid 105  and name HE% )
      4.100     2.100     1.900 peak  4431 spectrum    1 weight  0.10000E+01 volume  0.92338E-03 ppm1      3.092 ppm2      6.972 CV     1
 ASSI { 4431}
   (( segid "B   " and resid 105  and name HB2 ))
   (  segid "B   " and resid 105  and name HE% )
      4.100     2.100     1.900 peak  4431 spectrum    1 weight  0.10000E+01 volume  0.92338E-03 ppm1      3.092 ppm2      6.972 CV     1
 ASSI { 4433}
   (( segid "A   " and resid 101  and name HA  ))
   (  segid "A   " and resid 105  and name HE% )
      4.400     2.400     1.600 peak  4433 spectrum    1 weight  0.10000E+01 volume  0.53282E-03 ppm1      4.078 ppm2      6.972 CV     1
 ASSI { 4433}
   (( segid "B   " and resid 101  and name HA  ))
   (  segid "B   " and resid 105  and name HE% )
      4.300     2.400     1.700 peak  4433 spectrum    1 weight  0.10000E+01 volume  0.53282E-03 ppm1      4.078 ppm2      6.972 CV     1
 ASSI { 4437}
   (( segid "A   " and resid 86   and name HA  ))
   (  segid "A   " and resid 111  and name HD% )
      3.600     1.600     1.600 peak  4437 spectrum    1 weight  0.10000E+01 volume  0.50496E-03 ppm1      4.856 ppm2      6.972 CV     1
 ASSI { 4437}
   (( segid "B   " and resid 86   and name HA  ))
   (  segid "B   " and resid 111  and name HD% )
      3.600     1.600     1.600 peak  4437 spectrum    1 weight  0.10000E+01 volume  0.50496E-03 ppm1      4.856 ppm2      6.972 CV     1
 ASSI { 4439}
   (( segid "A   " and resid 30   and name HA  ))
   (  segid "A   " and resid 111  and name HD% )
      5.200     3.300     0.800 peak  4439 spectrum    1 weight  0.10000E+01 volume  0.23197E-03 ppm1      3.956 ppm2      6.972 CV     1
 ASSI { 4439}
   (( segid "B   " and resid 30   and name HA  ))
   (  segid "B   " and resid 111  and name HD% )
      5.200     3.300     0.800 peak  4439 spectrum    1 weight  0.10000E+01 volume  0.23197E-03 ppm1      3.956 ppm2      6.972 CV     1
 ASSI { 4441}
   (( segid "A   " and resid 111  and name HB3 ))
   (  segid "A   " and resid 111  and name HD% )
      2.500     0.800     0.800 peak  4441 spectrum    1 weight  0.10000E+01 volume  0.29931E-02 ppm1      3.020 ppm2      6.972 CV     1
 ASSI { 4441}
   (( segid "B   " and resid 111  and name HB3 ))
   (  segid "B   " and resid 111  and name HD% )
      2.500     0.800     0.800 peak  4441 spectrum    1 weight  0.10000E+01 volume  0.29931E-02 ppm1      3.020 ppm2      6.972 CV     1
 ASSI { 4443}
   (( segid "A   " and resid 25   and name HA  ))
   (  segid "A   " and resid 111  and name HD% )
      4.300     2.300     1.700 peak  4443 spectrum    1 weight  0.10000E+01 volume  0.85715E-03 ppm1      5.095 ppm2      6.978 CV     1
 ASSI { 4443}
   (( segid "B   " and resid 25   and name HA  ))
   (  segid "B   " and resid 111  and name HD% )
      4.300     2.300     1.700 peak  4443 spectrum    1 weight  0.10000E+01 volume  0.85715E-03 ppm1      5.095 ppm2      6.978 CV     1
 ASSI { 4444}
   (  segid "A   " and resid 109  and name HG2%)
   (  segid "A   " and resid 111  and name HD% )
      2.900     1.100     1.100 peak  4444 spectrum    1 weight  0.10000E+01 volume  0.31845E-02 ppm1      1.032 ppm2      6.978 CV     1
 ASSI { 4444}
   (  segid "B   " and resid 109  and name HG2%)
   (  segid "B   " and resid 111  and name HD% )
      2.900     1.100     1.100 peak  4444 spectrum    1 weight  0.10000E+01 volume  0.31845E-02 ppm1      1.032 ppm2      6.978 CV     1
 ASSI { 4447}
   (( segid "A   " and resid 25   and name HB3 ))
   (  segid "A   " and resid 111  and name HD% )
      3.800     1.900     1.900 peak  4447 spectrum    1 weight  0.10000E+01 volume  0.27911E-02 ppm1      1.820 ppm2      6.978 CV     1
 ASSI { 4447}
   (( segid "B   " and resid 25   and name HB3 ))
   (  segid "B   " and resid 111  and name HD% )
      3.800     1.900     1.900 peak  4447 spectrum    1 weight  0.10000E+01 volume  0.27911E-02 ppm1      1.820 ppm2      6.978 CV     1
 ASSI { 4448}
   (( segid "A   " and resid 111  and name HB2 ))
   (  segid "A   " and resid 111  and name HD% )
      2.600     0.900     0.900 peak  4448 spectrum    1 weight  0.10000E+01 volume  0.38027E-02 ppm1      2.893 ppm2      6.978 CV     1
 ASSI { 4448}
   (( segid "B   " and resid 111  and name HB2 ))
   (  segid "B   " and resid 111  and name HD% )
      2.600     0.900     0.900 peak  4448 spectrum    1 weight  0.10000E+01 volume  0.38027E-02 ppm1      2.893 ppm2      6.978 CV     1
 ASSI { 4450}
   (  segid "A   " and resid 33   and name HD2%)
   (  segid "A   " and resid 111  and name HD% )
      3.700     1.700     1.700 peak  4450 spectrum    1 weight  0.10000E+01 volume  0.10376E-02 ppm1      0.056 ppm2      6.978 CV     1
 ASSI { 4450}
   (  segid "B   " and resid 33   and name HD2%)
   (  segid "B   " and resid 111  and name HD% )
      3.700     1.700     1.700 peak  4450 spectrum    1 weight  0.10000E+01 volume  0.10376E-02 ppm1      0.056 ppm2      6.978 CV     1
 ASSI { 4452}
   (( segid "A   " and resid 112  and name HN  ))
   (  segid "A   " and resid 111  and name HD% )
      4.300     2.300     1.700 peak  4452 spectrum    1 weight  0.10000E+01 volume  0.78374E-03 ppm1      8.797 ppm2      6.978 CV     1
 ASSI { 4452}
   (( segid "B   " and resid 112  and name HN  ))
   (  segid "B   " and resid 111  and name HD% )
      4.300     2.300     1.700 peak  4452 spectrum    1 weight  0.10000E+01 volume  0.78374E-03 ppm1      8.797 ppm2      6.978 CV     1
 ASSI { 4453}
   (( segid "A   " and resid 86   and name HN  ))
   (  segid "A   " and resid 111  and name HD% )
      4.300     2.300     1.700 peak  4453 spectrum    1 weight  0.10000E+01 volume  0.24997E-03 ppm1      8.752 ppm2      6.978 CV     1
 ASSI { 4453}
   (( segid "B   " and resid 86   and name HN  ))
   (  segid "B   " and resid 111  and name HD% )
      4.300     2.300     1.700 peak  4453 spectrum    1 weight  0.10000E+01 volume  0.24997E-03 ppm1      8.752 ppm2      6.978 CV     1
 ASSI { 4457}
   (( segid "A   " and resid 25   and name HB2 ))
   (  segid "A   " and resid 111  and name HD% )
      3.100     1.200     1.200 peak  4457 spectrum    1 weight  0.10000E+01 volume  0.29230E-02 ppm1      1.622 ppm2      6.978 CV     1
 ASSI { 4457}
   (( segid "B   " and resid 25   and name HB2 ))
   (  segid "B   " and resid 111  and name HD% )
      3.100     1.200     1.200 peak  4457 spectrum    1 weight  0.10000E+01 volume  0.29230E-02 ppm1      1.622 ppm2      6.978 CV     1
 ASSI { 4458}
   (  segid "A   " and resid 40   and name HG2%)
   (  segid "A   " and resid 111  and name HD% )
      3.100     1.200     1.200 peak  4458 spectrum    1 weight  0.10000E+01 volume  0.19141E-02 ppm1      0.666 ppm2      6.978 CV     1
 ASSI { 4458}
   (  segid "B   " and resid 40   and name HG2%)
   (  segid "B   " and resid 111  and name HD% )
      3.100     1.200     1.200 peak  4458 spectrum    1 weight  0.10000E+01 volume  0.19141E-02 ppm1      0.666 ppm2      6.978 CV     1
 ASSI { 4459}
   (( segid "A   " and resid 23   and name HB  ))
   (  segid "A   " and resid 111  and name HD% )
      2.500     0.800     0.800 peak  4459 spectrum    1 weight  0.10000E+01 volume  0.41550E-02 ppm1      2.054 ppm2      6.978 CV     1
 ASSI { 4459}
   (( segid "B   " and resid 23   and name HB  ))
   (  segid "B   " and resid 111  and name HD% )
      2.500     0.800     0.800 peak  4459 spectrum    1 weight  0.10000E+01 volume  0.41550E-02 ppm1      2.054 ppm2      6.978 CV     1
 ASSI { 4461}
   (  segid "A   " and resid 25   and name HD1%)
   (  segid "A   " and resid 111  and name HD% )
      2.800     1.000     1.000 peak  4461 spectrum    1 weight  0.10000E+01 volume  0.30361E-02 ppm1      0.579 ppm2      6.978 CV     1
 ASSI { 4461}
   (  segid "B   " and resid 25   and name HD1%)
   (  segid "B   " and resid 111  and name HD% )
      2.800     1.000     1.000 peak  4461 spectrum    1 weight  0.10000E+01 volume  0.30361E-02 ppm1      0.579 ppm2      6.978 CV     1
 ASSI { 4462}
   (  segid "A   " and resid 25   and name HD2%)
   (  segid "A   " and resid 111  and name HD% )
      3.700     1.700     1.700 peak  4462 spectrum    1 weight  0.10000E+01 volume  0.21724E-02 ppm1      0.945 ppm2      6.978 CV     1
 ASSI { 4462}
   (  segid "B   " and resid 25   and name HD2%)
   (  segid "B   " and resid 111  and name HD% )
      3.700     1.700     1.700 peak  4462 spectrum    1 weight  0.10000E+01 volume  0.21724E-02 ppm1      0.945 ppm2      6.978 CV     1
 ASSI { 4463}
   (  segid "A   " and resid 86   and name HG2%)
   (  segid "A   " and resid 111  and name HD% )
      3.600     1.600     1.600 peak  4463 spectrum    1 weight  0.10000E+01 volume  0.30605E-02 ppm1      0.818 ppm2      6.978 CV     1
 ASSI { 4463}
   (  segid "B   " and resid 86   and name HG2%)
   (  segid "B   " and resid 111  and name HD% )
      3.600     1.600     1.600 peak  4463 spectrum    1 weight  0.10000E+01 volume  0.30605E-02 ppm1      0.818 ppm2      6.978 CV     1
 ASSI { 4464}
   (( segid "A   " and resid 110  and name HA  ))
   (  segid "A   " and resid 111  and name HD% )
      3.800     1.800     1.800 peak  4464 spectrum    1 weight  0.10000E+01 volume  0.85439E-03 ppm1      4.551 ppm2      6.978 CV     1
 ASSI { 4464}
   (( segid "B   " and resid 110  and name HA  ))
   (  segid "B   " and resid 111  and name HD% )
      3.800     1.800     1.800 peak  4464 spectrum    1 weight  0.10000E+01 volume  0.85439E-03 ppm1      4.551 ppm2      6.978 CV     1
 ASSI { 4469}
   (( segid "A   " and resid 65   and name HB2 ))
   (( segid "A   " and resid 64   and name HD2 ))
      4.800     2.900     1.200 peak  4469 spectrum    1 weight  0.10000E+01 volume  0.27188E-03 ppm1      1.352 ppm2      7.019 CV     1
 ASSI { 4469}
   (( segid "B   " and resid 65   and name HB2 ))
   (( segid "B   " and resid 64   and name HD2 ))
      4.800     2.900     1.200 peak  4469 spectrum    1 weight  0.10000E+01 volume  0.27188E-03 ppm1      1.352 ppm2      7.019 CV     1
 ASSI { 4472}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 64   and name HD2 ))
      3.200     1.300     1.300 peak  4472 spectrum    1 weight  0.10000E+01 volume  0.24257E-02 ppm1      3.270 ppm2      7.019 CV     1
 ASSI { 4472}
   (( segid "B   " and resid 64   and name HB3 ))
   (( segid "B   " and resid 64   and name HD2 ))
      3.200     1.300     1.300 peak  4472 spectrum    1 weight  0.10000E+01 volume  0.24257E-02 ppm1      3.270 ppm2      7.019 CV     1
 ASSI { 4474}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 64   and name HD2 ))
      4.300     2.300     1.700 peak  4474 spectrum    1 weight  0.10000E+01 volume  0.40616E-03 ppm1      8.401 ppm2      7.019 CV     1
 ASSI { 4474}
   (( segid "B   " and resid 44   and name HN  ))
   (( segid "B   " and resid 64   and name HD2 ))
      4.300     2.300     1.700 peak  4474 spectrum    1 weight  0.10000E+01 volume  0.40616E-03 ppm1      8.401 ppm2      7.019 CV     1
 ASSI { 4476}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 64   and name HD2 ))
      3.900     1.900     1.900 peak  4476 spectrum    1 weight  0.10000E+01 volume  0.33424E-03 ppm1      5.629 ppm2      7.019 CV     1
 ASSI { 4476}
   (( segid "B   " and resid 45   and name HA  ))
   (( segid "B   " and resid 64   and name HD2 ))
      3.900     1.900     1.900 peak  4476 spectrum    1 weight  0.10000E+01 volume  0.33424E-03 ppm1      5.629 ppm2      7.019 CV     1
 ASSI { 4477}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 64   and name HD2 ))
      2.900     1.000     1.000 peak  4477 spectrum    1 weight  0.10000E+01 volume  0.21840E-02 ppm1      5.039 ppm2      7.019 CV     1
 ASSI { 4477}
   (( segid "B   " and resid 64   and name HA  ))
   (( segid "B   " and resid 64   and name HD2 ))
      2.900     1.000     1.000 peak  4477 spectrum    1 weight  0.10000E+01 volume  0.21840E-02 ppm1      5.039 ppm2      7.019 CV     1
 ASSI { 4478}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 64   and name HD2 ))
      2.900     1.000     1.000 peak  4478 spectrum    1 weight  0.10000E+01 volume  0.24009E-02 ppm1      0.244 ppm2      7.019 CV     1
 ASSI { 4478}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 64   and name HD2 ))
      2.900     1.000     1.000 peak  4478 spectrum    1 weight  0.10000E+01 volume  0.24009E-02 ppm1      0.244 ppm2      7.019 CV     1
 ASSI { 4481}
   (( segid "A   " and resid 44   and name HB3 ))
   (( segid "A   " and resid 64   and name HD2 ))
      2.600     0.900     0.900 peak  4481 spectrum    1 weight  0.10000E+01 volume  0.21017E-02 ppm1      2.903 ppm2      7.019 CV     1
 ASSI { 4481}
   (( segid "B   " and resid 44   and name HB3 ))
   (( segid "B   " and resid 64   and name HD2 ))
      2.600     0.900     0.900 peak  4481 spectrum    1 weight  0.10000E+01 volume  0.21017E-02 ppm1      2.903 ppm2      7.019 CV     1
 ASSI { 4485}
   (( segid "A   " and resid 102  and name HA  ))
   (( segid "B   " and resid 11   and name HZ  ))
      4.700     2.700     1.300 peak  4485 spectrum    1 weight  0.10000E+01 volume  0.39633E-03 ppm1      3.829 ppm2      7.025 CV     1
 ASSI { 4485}
   (( segid "B   " and resid 102  and name HA  ))
   (( segid "A   " and resid 11   and name HZ  ))
      4.600     2.700     1.400 peak  4485 spectrum    1 weight  0.10000E+01 volume  0.39633E-03 ppm1      3.829 ppm2      7.025 CV     1
 ASSI { 4492}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "B   " and resid 11   and name HZ  ))
      3.500     1.500     1.500 peak  4492 spectrum    1 weight  0.10000E+01 volume  0.83893E-03 ppm1      1.169 ppm2      7.025 CV     1
 ASSI { 4492}
   (  segid "B   " and resid 101  and name HG2%)
   (( segid "A   " and resid 11   and name HZ  ))
      3.500     1.500     1.500 peak  4492 spectrum    1 weight  0.10000E+01 volume  0.83893E-03 ppm1      1.169 ppm2      7.025 CV     1
 ASSI { 4497}
   (( segid "A   " and resid 70   and name HB2 ))
   (( segid "B   " and resid 11   and name HZ  ))
      5.200     3.300     0.800 peak  4497 spectrum    1 weight  0.10000E+01 volume  0.36714E-03 ppm1      1.424 ppm2      7.025 CV     1
 ASSI { 4497}
   (( segid "B   " and resid 70   and name HB2 ))
   (( segid "A   " and resid 11   and name HZ  ))
      5.100     3.300     0.900 peak  4497 spectrum    1 weight  0.10000E+01 volume  0.36714E-03 ppm1      1.424 ppm2      7.025 CV     1
 ASSI { 4499}
   (  segid "A   " and resid 98   and name HB% )
   (( segid "B   " and resid 11   and name HZ  ))
      5.600     3.900     0.400 peak  4499 spectrum    1 weight  0.10000E+01 volume  0.26410E-03 ppm1      1.322 ppm2      7.025 CV     1
 ASSI { 4499}
   (  segid "B   " and resid 98   and name HB% )
   (( segid "A   " and resid 11   and name HZ  ))
      5.600     3.900     0.400 peak  4499 spectrum    1 weight  0.10000E+01 volume  0.26410E-03 ppm1      1.322 ppm2      7.025 CV     1
 ASSI { 4504}
   (  segid "A   " and resid 11   and name HE% )
   (( segid "A   " and resid 11   and name HZ  ))
      2.100     0.500     0.500 peak  4504 spectrum    1 weight  0.10000E+01 volume  0.79035E-02 ppm1      7.175 ppm2      7.025 CV     1
 ASSI { 4504}
   (  segid "B   " and resid 11   and name HE% )
   (( segid "B   " and resid 11   and name HZ  ))
      2.100     0.500     0.500 peak  4504 spectrum    1 weight  0.10000E+01 volume  0.79035E-02 ppm1      7.175 ppm2      7.025 CV     1
 ASSI { 4507}
   (  segid "A   " and resid 11   and name HD% )
   (( segid "A   " and resid 11   and name HZ  ))
      3.300     1.400     1.400 peak  4507 spectrum    1 weight  0.10000E+01 volume  0.18318E-02 ppm1      7.374 ppm2      7.025 CV     1
 ASSI { 4507}
   (  segid "B   " and resid 11   and name HD% )
   (( segid "B   " and resid 11   and name HZ  ))
      3.300     1.400     1.400 peak  4507 spectrum    1 weight  0.10000E+01 volume  0.18318E-02 ppm1      7.374 ppm2      7.025 CV     1
 ASSI { 4511}
   (( segid "A   " and resid 70   and name HG  ))
   (( segid "B   " and resid 11   and name HZ  ))
      2.900     1.000     1.000 peak  4511 spectrum    1 weight  0.10000E+01 volume  0.37648E-02 ppm1      1.001 ppm2      7.025 CV     1
 ASSI { 4511}
   (( segid "B   " and resid 70   and name HG  ))
   (( segid "A   " and resid 11   and name HZ  ))
      2.900     1.000     1.000 peak  4511 spectrum    1 weight  0.10000E+01 volume  0.37648E-02 ppm1      1.001 ppm2      7.025 CV     1
 ASSI { 4514}
   (( segid "A   " and resid 101  and name HA  ))
   (( segid "B   " and resid 11   and name HZ  ))
      4.100     2.100     1.900 peak  4514 spectrum    1 weight  0.10000E+01 volume  0.98574E-03 ppm1      4.063 ppm2      7.025 CV     1
 ASSI { 4514}
   (( segid "B   " and resid 101  and name HA  ))
   (( segid "A   " and resid 11   and name HZ  ))
      4.100     2.100     1.900 peak  4514 spectrum    1 weight  0.10000E+01 volume  0.98574E-03 ppm1      4.063 ppm2      7.025 CV     1
 ASSI { 4523}
   (( segid "A   " and resid 120  and name HE3 ))
   (( segid "A   " and resid 120  and name HZ3 ))
      2.500     0.800     0.800 peak  4523 spectrum    1 weight  0.10000E+01 volume  0.35002E-02 ppm1      7.618 ppm2      7.031 CV     1
 ASSI { 4523}
   (( segid "B   " and resid 120  and name HE3 ))
   (( segid "B   " and resid 120  and name HZ3 ))
      2.500     0.800     0.800 peak  4523 spectrum    1 weight  0.10000E+01 volume  0.35002E-02 ppm1      7.618 ppm2      7.031 CV     1
 ASSI { 4525}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 120  and name HZ3 ))
      3.800     1.800     1.800 peak  4525 spectrum    1 weight  0.10000E+01 volume  0.79146E-03 ppm1      8.757 ppm2      7.031 CV     1
 OR { 4525}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 120  and name HZ2 ))
 ASSI { 4525}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 120  and name HZ3 ))
      3.800     1.800     1.800 peak  4525 spectrum    1 weight  0.10000E+01 volume  0.79146E-03 ppm1      8.757 ppm2      7.031 CV     1
 OR { 4525}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 120  and name HZ2 ))
 ASSI { 4527}
   (  segid "A   " and resid 34   and name HD1%)
   (( segid "A   " and resid 120  and name HZ2 ))
      3.300     1.300     1.300 peak  4527 spectrum    1 weight  0.10000E+01 volume  0.18153E-02 ppm1      0.940 ppm2      7.031 CV     1
 OR { 4527}
   (  segid "A   " and resid 34   and name HD1%)
   (( segid "A   " and resid 120  and name HZ3 ))
 ASSI { 4527}
   (  segid "B   " and resid 34   and name HD1%)
   (( segid "B   " and resid 120  and name HZ2 ))
      3.300     1.300     1.300 peak  4527 spectrum    1 weight  0.10000E+01 volume  0.18153E-02 ppm1      0.940 ppm2      7.031 CV     1
 OR { 4527}
   (  segid "B   " and resid 34   and name HD1%)
   (( segid "B   " and resid 120  and name HZ3 ))
 ASSI { 4529}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 120  and name HZ2 ))
      3.200     1.200     1.200 peak  4529 spectrum    1 weight  0.10000E+01 volume  0.17170E-02 ppm1      2.730 ppm2      7.031 CV     1
 OR { 4529}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 120  and name HZ3 ))
 ASSI { 4529}
   (( segid "B   " and resid 31   and name HB2 ))
   (( segid "B   " and resid 120  and name HZ2 ))
      3.200     1.200     1.200 peak  4529 spectrum    1 weight  0.10000E+01 volume  0.17170E-02 ppm1      2.730 ppm2      7.031 CV     1
 OR { 4529}
   (( segid "B   " and resid 31   and name HB2 ))
   (( segid "B   " and resid 120  and name HZ3 ))
 ASSI { 4530}
   (( segid "A   " and resid 120  and name HD1 ))
   (( segid "A   " and resid 120  and name HZ2 ))
      4.500     2.500     1.500 peak  4530 spectrum    1 weight  0.10000E+01 volume  0.49497E-03 ppm1      6.585 ppm2      7.031 CV     1
 ASSI { 4530}
   (( segid "B   " and resid 120  and name HD1 ))
   (( segid "B   " and resid 120  and name HZ2 ))
      4.500     2.500     1.500 peak  4530 spectrum    1 weight  0.10000E+01 volume  0.49497E-03 ppm1      6.585 ppm2      7.031 CV     1
 ASSI { 4531}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 120  and name HZ3 ))
      3.300     1.400     1.400 peak  4531 spectrum    1 weight  0.10000E+01 volume  0.60436E-03 ppm1      4.582 ppm2      7.031 CV     1
 ASSI { 4531}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 120  and name HZ3 ))
      3.300     1.400     1.400 peak  4531 spectrum    1 weight  0.10000E+01 volume  0.60436E-03 ppm1      4.582 ppm2      7.031 CV     1
 ASSI { 4536}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 107  and name HE% )
      2.500     0.800     0.800 peak  4536 spectrum    1 weight  0.10000E+01 volume  0.35317E-02 ppm1     -0.082 ppm2      7.084 CV     1
 ASSI { 4536}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 107  and name HE% )
      2.500     0.800     0.800 peak  4536 spectrum    1 weight  0.10000E+01 volume  0.35317E-02 ppm1     -0.082 ppm2      7.084 CV     1
 ASSI { 4539}
   (  segid "A   " and resid 107  and name HD% )
   (  segid "A   " and resid 107  and name HE% )
      2.300     0.600     0.600 peak  4539 spectrum    1 weight  0.10000E+01 volume  0.71475E-02 ppm1      7.572 ppm2      7.084 CV     1
 ASSI { 4539}
   (  segid "B   " and resid 107  and name HD% )
   (  segid "B   " and resid 107  and name HE% )
      2.300     0.600     0.600 peak  4539 spectrum    1 weight  0.10000E+01 volume  0.71475E-02 ppm1      7.572 ppm2      7.084 CV     1
 ASSI { 4540}
   (  segid "A   " and resid 79   and name HD2%)
   (  segid "A   " and resid 107  and name HE% )
      2.700     0.900     0.900 peak  4540 spectrum    1 weight  0.10000E+01 volume  0.20918E-02 ppm1      0.869 ppm2      7.084 CV     1
 ASSI { 4540}
   (  segid "B   " and resid 79   and name HD2%)
   (  segid "B   " and resid 107  and name HE% )
      2.700     0.900     0.900 peak  4540 spectrum    1 weight  0.10000E+01 volume  0.20918E-02 ppm1      0.869 ppm2      7.084 CV     1
 ASSI { 4541}
   (  segid "A   " and resid 85   and name HG2%)
   (  segid "A   " and resid 107  and name HE% )
      2.700     0.900     0.900 peak  4541 spectrum    1 weight  0.10000E+01 volume  0.24169E-02 ppm1      0.788 ppm2      7.084 CV     1
 ASSI { 4541}
   (  segid "B   " and resid 85   and name HG2%)
   (  segid "B   " and resid 107  and name HE% )
      2.700     0.900     0.900 peak  4541 spectrum    1 weight  0.10000E+01 volume  0.24169E-02 ppm1      0.788 ppm2      7.084 CV     1
 ASSI { 4543}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "A   " and resid 107  and name HE% )
      4.300     2.400     1.700 peak  4543 spectrum    1 weight  0.10000E+01 volume  0.98187E-03 ppm1      0.457 ppm2      7.084 CV     1
 ASSI { 4543}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "B   " and resid 107  and name HE% )
      4.300     2.300     1.700 peak  4543 spectrum    1 weight  0.10000E+01 volume  0.98187E-03 ppm1      0.457 ppm2      7.084 CV     1
 ASSI { 4545}
   (  segid "A   " and resid 85   and name HG1%)
   (  segid "A   " and resid 107  and name HE% )
      2.700     0.900     0.900 peak  4545 spectrum    1 weight  0.10000E+01 volume  0.33148E-02 ppm1      1.052 ppm2      7.084 CV     1
 ASSI { 4545}
   (  segid "B   " and resid 85   and name HG1%)
   (  segid "B   " and resid 107  and name HE% )
      2.700     0.900     0.900 peak  4545 spectrum    1 weight  0.10000E+01 volume  0.33148E-02 ppm1      1.052 ppm2      7.084 CV     1
 ASSI { 4548}
   (( segid "A   " and resid 105  and name HB2 ))
   (  segid "A   " and resid 107  and name HE% )
      3.500     1.500     1.500 peak  4548 spectrum    1 weight  0.10000E+01 volume  0.64189E-03 ppm1      3.086 ppm2      7.084 CV     1
 ASSI { 4548}
   (( segid "B   " and resid 105  and name HB2 ))
   (  segid "B   " and resid 107  and name HE% )
      3.500     1.500     1.500 peak  4548 spectrum    1 weight  0.10000E+01 volume  0.64189E-03 ppm1      3.086 ppm2      7.084 CV     1
 ASSI { 4549}
   (  segid "A   " and resid 79   and name HD1%)
   (  segid "A   " and resid 107  and name HE% )
      3.400     1.400     1.400 peak  4549 spectrum    1 weight  0.10000E+01 volume  0.32890E-02 ppm1      0.737 ppm2      7.084 CV     1
 ASSI { 4549}
   (  segid "B   " and resid 79   and name HD1%)
   (  segid "B   " and resid 107  and name HE% )
      3.400     1.400     1.400 peak  4549 spectrum    1 weight  0.10000E+01 volume  0.32890E-02 ppm1      0.737 ppm2      7.084 CV     1
 ASSI { 4551}
   (( segid "A   " and resid 34   and name HB2 ))
   (  segid "A   " and resid 31   and name HD% )
      3.300     1.400     1.400 peak  4551 spectrum    1 weight  0.10000E+01 volume  0.14367E-02 ppm1      1.647 ppm2      7.090 CV     1
 ASSI { 4551}
   (( segid "B   " and resid 34   and name HB2 ))
   (  segid "B   " and resid 31   and name HD% )
      3.300     1.400     1.400 peak  4551 spectrum    1 weight  0.10000E+01 volume  0.14367E-02 ppm1      1.647 ppm2      7.090 CV     1
 ASSI { 4552}
   (( segid "A   " and resid 42   and name HB2 ))
   (  segid "A   " and resid 31   and name HD% )
      4.900     3.000     1.100 peak  4552 spectrum    1 weight  0.10000E+01 volume  0.90903E-03 ppm1      1.520 ppm2      7.090 CV     1
 ASSI { 4552}
   (( segid "B   " and resid 42   and name HB2 ))
   (  segid "B   " and resid 31   and name HD% )
      4.900     3.000     1.100 peak  4552 spectrum    1 weight  0.10000E+01 volume  0.90903E-03 ppm1      1.520 ppm2      7.090 CV     1
 ASSI { 4559}
   (( segid "A   " and resid 126  and name HD3 ))
   (  segid "A   " and resid 31   and name HD% )
      5.100     3.200     0.900 peak  4559 spectrum    1 weight  0.10000E+01 volume  0.17800E-03 ppm1      3.285 ppm2      7.090 CV     1
 ASSI { 4559}
   (( segid "B   " and resid 126  and name HD3 ))
   (  segid "B   " and resid 31   and name HD% )
      5.100     3.200     0.900 peak  4559 spectrum    1 weight  0.10000E+01 volume  0.17800E-03 ppm1      3.285 ppm2      7.090 CV     1
 ASSI { 4563}
   (  segid "A   " and resid 34   and name HD1%)
   (  segid "A   " and resid 31   and name HD% )
      2.900     1.100     1.100 peak  4563 spectrum    1 weight  0.10000E+01 volume  0.19770E-02 ppm1      0.935 ppm2      7.090 CV     1
 ASSI { 4563}
   (  segid "B   " and resid 34   and name HD1%)
   (  segid "B   " and resid 31   and name HD% )
      2.900     1.100     1.100 peak  4563 spectrum    1 weight  0.10000E+01 volume  0.19770E-02 ppm1      0.935 ppm2      7.090 CV     1
 ASSI { 4564}
   (( segid "A   " and resid 31   and name HA  ))
   (  segid "A   " and resid 31   and name HD% )
      2.400     0.700     0.700 peak  4564 spectrum    1 weight  0.10000E+01 volume  0.43093E-02 ppm1      4.114 ppm2      7.090 CV     1
 ASSI { 4564}
   (( segid "B   " and resid 31   and name HA  ))
   (  segid "B   " and resid 31   and name HD% )
      2.400     0.700     0.700 peak  4564 spectrum    1 weight  0.10000E+01 volume  0.43093E-02 ppm1      4.114 ppm2      7.090 CV     1
 ASSI { 4571}
   (( segid "A   " and resid 28   and name HA  ))
   (  segid "A   " and resid 31   and name HD% )
      3.500     1.500     1.500 peak  4571 spectrum    1 weight  0.10000E+01 volume  0.97250E-03 ppm1      3.758 ppm2      7.090 CV     1
 ASSI { 4571}
   (( segid "B   " and resid 28   and name HA  ))
   (  segid "B   " and resid 31   and name HD% )
      3.500     1.500     1.500 peak  4571 spectrum    1 weight  0.10000E+01 volume  0.97250E-03 ppm1      3.758 ppm2      7.090 CV     1
 ASSI { 4573}
   (( segid "A   " and resid 34   and name HG  ))
   (  segid "A   " and resid 31   and name HD% )
      4.100     2.100     1.900 peak  4573 spectrum    1 weight  0.10000E+01 volume  0.12396E-02 ppm1      1.724 ppm2      7.090 CV     1
 ASSI { 4573}
   (( segid "B   " and resid 34   and name HG  ))
   (  segid "B   " and resid 31   and name HD% )
      4.100     2.100     1.900 peak  4573 spectrum    1 weight  0.10000E+01 volume  0.12396E-02 ppm1      1.724 ppm2      7.090 CV     1
 ASSI { 4585}
   (( segid "A   " and resid 11   and name HB2 ))
   (  segid "A   " and resid 11   and name HE% )
      3.900     1.900     1.900 peak  4585 spectrum    1 weight  0.10000E+01 volume  0.12109E-02 ppm1      3.376 ppm2      7.172 CV     1
 ASSI { 4585}
   (( segid "B   " and resid 11   and name HB2 ))
   (  segid "B   " and resid 11   and name HE% )
      3.900     1.900     1.900 peak  4585 spectrum    1 weight  0.10000E+01 volume  0.12109E-02 ppm1      3.376 ppm2      7.172 CV     1
 ASSI { 4589}
   (  segid "A   " and resid 11   and name HD% )
   (  segid "A   " and resid 11   and name HE% )
      2.200     0.600     0.600 peak  4589 spectrum    1 weight  0.10000E+01 volume  0.71860E-02 ppm1      7.374 ppm2      7.172 CV     1
 ASSI { 4589}
   (  segid "B   " and resid 11   and name HD% )
   (  segid "B   " and resid 11   and name HE% )
      2.200     0.600     0.600 peak  4589 spectrum    1 weight  0.10000E+01 volume  0.71860E-02 ppm1      7.374 ppm2      7.172 CV     1
 ASSI { 4596}
   (( segid "A   " and resid 11   and name HB3 ))
   (  segid "A   " and resid 11   and name HD% )
      2.700     0.900     0.900 peak  4596 spectrum    1 weight  0.10000E+01 volume  0.31006E-02 ppm1      3.590 ppm2      7.371 CV     1
 ASSI { 4596}
   (( segid "B   " and resid 11   and name HB3 ))
   (  segid "B   " and resid 11   and name HD% )
      2.700     0.900     0.900 peak  4596 spectrum    1 weight  0.10000E+01 volume  0.31006E-02 ppm1      3.590 ppm2      7.371 CV     1
 ASSI { 4597}
   (( segid "A   " and resid 15   and name HB  ))
   (  segid "A   " and resid 11   and name HD% )
      2.500     0.800     0.800 peak  4597 spectrum    1 weight  0.10000E+01 volume  0.37485E-02 ppm1      1.708 ppm2      7.371 CV     1
 ASSI { 4597}
   (( segid "B   " and resid 15   and name HB  ))
   (  segid "B   " and resid 11   and name HD% )
      2.500     0.800     0.800 peak  4597 spectrum    1 weight  0.10000E+01 volume  0.37485E-02 ppm1      1.708 ppm2      7.371 CV     1
 ASSI { 4600}
   (( segid "A   " and resid 74   and name HG  ))
   (  segid "B   " and resid 11   and name HD% )
      4.900     3.000     1.100 peak  4600 spectrum    1 weight  0.10000E+01 volume  0.48557E-03 ppm1      1.500 ppm2      7.371 CV     1
 ASSI { 4600}
   (( segid "B   " and resid 74   and name HG  ))
   (  segid "A   " and resid 11   and name HD% )
      4.900     3.000     1.100 peak  4600 spectrum    1 weight  0.10000E+01 volume  0.48557E-03 ppm1      1.500 ppm2      7.371 CV     1
 ASSI { 4601}
   (  segid "A   " and resid 105  and name HE% )
   (  segid "B   " and resid 11   and name HD% )
      2.800     1.000     1.000 peak  4601 spectrum    1 weight  0.10000E+01 volume  0.16083E-02 ppm1      6.972 ppm2      7.371 CV     1
 ASSI { 4601}
   (  segid "B   " and resid 105  and name HE% )
   (  segid "A   " and resid 11   and name HD% )
      2.800     1.000     1.000 peak  4601 spectrum    1 weight  0.10000E+01 volume  0.16083E-02 ppm1      6.972 ppm2      7.371 CV     1
 ASSI { 4606}
   (( segid "A   " and resid 12   and name HD3 ))
   (  segid "A   " and resid 11   and name HD% )
      3.600     1.600     1.600 peak  4606 spectrum    1 weight  0.10000E+01 volume  0.17728E-02 ppm1      1.622 ppm2      7.371 CV     1
 OR { 4606}
   (( segid "A   " and resid 12   and name HD2 ))
   (  segid "A   " and resid 11   and name HD% )
 ASSI { 4606}
   (( segid "B   " and resid 12   and name HD3 ))
   (  segid "B   " and resid 11   and name HD% )
      3.600     1.600     1.600 peak  4606 spectrum    1 weight  0.10000E+01 volume  0.17728E-02 ppm1      1.622 ppm2      7.371 CV     1
 OR { 4606}
   (( segid "B   " and resid 12   and name HD2 ))
   (  segid "B   " and resid 11   and name HD% )
 ASSI { 4609}
   (( segid "A   " and resid 15   and name HA  ))
   (  segid "A   " and resid 11   and name HD% )
      4.000     2.000     2.000 peak  4609 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      3.264 ppm2      7.371 CV     1
 ASSI { 4609}
   (( segid "B   " and resid 15   and name HA  ))
   (  segid "B   " and resid 11   and name HD% )
      4.000     2.000     2.000 peak  4609 spectrum    1 weight  0.10000E+01 volume  0.13715E-02 ppm1      3.264 ppm2      7.371 CV     1
 ASSI { 4614}
   (  segid "A   " and resid 79   and name HD1%)
   (  segid "B   " and resid 11   and name HD% )
      5.400     3.600     0.600 peak  4614 spectrum    1 weight  0.10000E+01 volume  0.34209E-03 ppm1      0.722 ppm2      7.371 CV     1
 ASSI { 4614}
   (  segid "B   " and resid 79   and name HD1%)
   (  segid "A   " and resid 11   and name HD% )
      5.300     3.600     0.700 peak  4614 spectrum    1 weight  0.10000E+01 volume  0.34209E-03 ppm1      0.722 ppm2      7.371 CV     1
 ASSI { 4617}
   (( segid "A   " and resid 11   and name HB2 ))
   (  segid "A   " and resid 11   and name HD% )
      2.300     0.600     0.600 peak  4617 spectrum    1 weight  0.10000E+01 volume  0.47068E-02 ppm1      3.361 ppm2      7.371 CV     1
 ASSI { 4617}
   (( segid "B   " and resid 11   and name HB2 ))
   (  segid "B   " and resid 11   and name HD% )
      2.300     0.600     0.600 peak  4617 spectrum    1 weight  0.10000E+01 volume  0.47068E-02 ppm1      3.361 ppm2      7.371 CV     1
 ASSI { 4618}
   (( segid "A   " and resid 70   and name HG  ))
   (  segid "B   " and resid 11   and name HD% )
      3.200     1.300     1.300 peak  4618 spectrum    1 weight  0.10000E+01 volume  0.18197E-02 ppm1      1.012 ppm2      7.371 CV     1
 ASSI { 4618}
   (( segid "B   " and resid 70   and name HG  ))
   (  segid "A   " and resid 11   and name HD% )
      3.200     1.300     1.300 peak  4618 spectrum    1 weight  0.10000E+01 volume  0.18197E-02 ppm1      1.012 ppm2      7.371 CV     1
 ASSI { 4626}
   (( segid "A   " and resid 105  and name HB3 ))
   (  segid "A   " and resid 105  and name HD% )
      2.600     0.900     0.900 peak  4626 spectrum    1 weight  0.10000E+01 volume  0.62919E-02 ppm1      3.493 ppm2      7.436 CV     1
 ASSI { 4626}
   (( segid "B   " and resid 105  and name HB3 ))
   (  segid "B   " and resid 105  and name HD% )
      2.600     0.900     0.900 peak  4626 spectrum    1 weight  0.10000E+01 volume  0.62919E-02 ppm1      3.493 ppm2      7.436 CV     1
 ASSI { 4628}
   (( segid "A   " and resid 105  and name HA  ))
   (  segid "A   " and resid 105  and name HD% )
      2.500     0.800     0.800 peak  4628 spectrum    1 weight  0.10000E+01 volume  0.38238E-02 ppm1      4.332 ppm2      7.436 CV     1
 ASSI { 4628}
   (( segid "B   " and resid 105  and name HA  ))
   (  segid "B   " and resid 105  and name HD% )
      2.500     0.800     0.800 peak  4628 spectrum    1 weight  0.10000E+01 volume  0.38238E-02 ppm1      4.332 ppm2      7.436 CV     1
 ASSI { 4635}
   (( segid "A   " and resid 105  and name HB2 ))
   (  segid "A   " and resid 105  and name HD% )
      2.400     0.700     0.700 peak  4635 spectrum    1 weight  0.10000E+01 volume  0.39844E-02 ppm1      3.086 ppm2      7.436 CV     1
 ASSI { 4635}
   (( segid "B   " and resid 105  and name HB2 ))
   (  segid "B   " and resid 105  and name HD% )
      2.400     0.700     0.700 peak  4635 spectrum    1 weight  0.10000E+01 volume  0.39844E-02 ppm1      3.086 ppm2      7.436 CV     1
 ASSI { 4644}
   (( segid "A   " and resid 8    and name HB2 ))
   (  segid "A   " and resid 7    and name HD% )
      4.100     2.100     1.900 peak  4644 spectrum    1 weight  0.10000E+01 volume  0.59553E-03 ppm1      2.908 ppm2      7.454 CV     1
 OR { 4644}
   (( segid "A   " and resid 8    and name HB3 ))
   (  segid "A   " and resid 7    and name HD% )
 ASSI { 4644}
   (( segid "B   " and resid 8    and name HB2 ))
   (  segid "B   " and resid 7    and name HD% )
      4.100     2.100     1.900 peak  4644 spectrum    1 weight  0.10000E+01 volume  0.59553E-03 ppm1      2.908 ppm2      7.454 CV     1
 OR { 4644}
   (( segid "B   " and resid 8    and name HB3 ))
   (  segid "B   " and resid 7    and name HD% )
 ASSI { 4645}
   (( segid "A   " and resid 7    and name HB3 ))
   (  segid "A   " and resid 7    and name HD% )
      2.400     0.700     0.700 peak  4645 spectrum    1 weight  0.10000E+01 volume  0.44293E-02 ppm1      3.437 ppm2      7.454 CV     1
 ASSI { 4645}
   (( segid "B   " and resid 7    and name HB3 ))
   (  segid "B   " and resid 7    and name HD% )
      2.400     0.700     0.700 peak  4645 spectrum    1 weight  0.10000E+01 volume  0.44293E-02 ppm1      3.437 ppm2      7.454 CV     1
 ASSI { 4650}
   (( segid "A   " and resid 7    and name HA  ))
   (  segid "A   " and resid 7    and name HD% )
      2.900     1.100     1.100 peak  4650 spectrum    1 weight  0.10000E+01 volume  0.65954E-02 ppm1      4.983 ppm2      7.454 CV     1
 ASSI { 4650}
   (( segid "B   " and resid 7    and name HA  ))
   (  segid "B   " and resid 7    and name HD% )
      2.900     1.100     1.100 peak  4650 spectrum    1 weight  0.10000E+01 volume  0.65954E-02 ppm1      4.983 ppm2      7.454 CV     1
 ASSI { 4651}
   (  segid "A   " and resid 3    and name HE% )
   (  segid "A   " and resid 7    and name HD% )
      4.200     2.200     1.800 peak  4651 spectrum    1 weight  0.10000E+01 volume  0.83340E-03 ppm1      1.927 ppm2      7.454 CV     1
 ASSI { 4651}
   (  segid "B   " and resid 3    and name HE% )
   (  segid "B   " and resid 7    and name HD% )
      4.200     2.200     1.800 peak  4651 spectrum    1 weight  0.10000E+01 volume  0.83340E-03 ppm1      1.927 ppm2      7.454 CV     1
 ASSI { 4656}
   (( segid "A   " and resid 7    and name HB2 ))
   (  segid "A   " and resid 7    and name HD% )
      2.500     0.800     0.800 peak  4656 spectrum    1 weight  0.10000E+01 volume  0.50694E-02 ppm1      3.325 ppm2      7.459 CV     1
 ASSI { 4656}
   (( segid "B   " and resid 7    and name HB2 ))
   (  segid "B   " and resid 7    and name HD% )
      2.500     0.800     0.800 peak  4656 spectrum    1 weight  0.10000E+01 volume  0.50694E-02 ppm1      3.325 ppm2      7.459 CV     1
 ASSI { 4659}
   (  segid "A   " and resid 7    and name HE% )
   (  segid "A   " and resid 7    and name HD% )
      2.100     0.600     0.600 peak  4659 spectrum    1 weight  0.10000E+01 volume  0.10680E-01 ppm1      7.572 ppm2      7.459 CV     1
 ASSI { 4659}
   (  segid "B   " and resid 7    and name HE% )
   (  segid "B   " and resid 7    and name HD% )
      2.100     0.600     0.600 peak  4659 spectrum    1 weight  0.10000E+01 volume  0.10680E-01 ppm1      7.572 ppm2      7.459 CV     1
 ASSI { 4666}
   (( segid "A   " and resid 4    and name HA1 ))
   (  segid "A   " and resid 7    and name HD% )
      2.900     1.000     1.000 peak  4666 spectrum    1 weight  0.10000E+01 volume  0.27811E-02 ppm1      3.956 ppm2      7.459 CV     1
 ASSI { 4666}
   (( segid "B   " and resid 4    and name HA1 ))
   (  segid "B   " and resid 7    and name HD% )
      2.900     1.000     1.000 peak  4666 spectrum    1 weight  0.10000E+01 volume  0.27811E-02 ppm1      3.956 ppm2      7.459 CV     1
 ASSI { 4674}
   (  segid "A   " and resid 18   and name HB% )
   (( segid "A   " and resid 96   and name HN  ))
      3.900     1.900     1.900 peak  4674 spectrum    1 weight  0.10000E+01 volume  0.20907E-02 ppm1      1.403 ppm2      7.565 CV     1
 ASSI { 4674}
   (  segid "B   " and resid 18   and name HB% )
   (( segid "B   " and resid 96   and name HN  ))
      3.900     1.900     1.900 peak  4674 spectrum    1 weight  0.10000E+01 volume  0.20907E-02 ppm1      1.403 ppm2      7.565 CV     1
 ASSI { 4684}
   (( segid "A   " and resid 107  and name HB3 ))
   (  segid "A   " and resid 107  and name HD% )
      2.600     0.800     0.800 peak  4684 spectrum    1 weight  0.10000E+01 volume  0.34761E-02 ppm1      2.929 ppm2      7.571 CV     1
 ASSI { 4684}
   (( segid "B   " and resid 107  and name HB3 ))
   (  segid "B   " and resid 107  and name HD% )
      2.600     0.800     0.800 peak  4684 spectrum    1 weight  0.10000E+01 volume  0.34761E-02 ppm1      2.929 ppm2      7.571 CV     1
 ASSI { 4688}
   (( segid "A   " and resid 107  and name HB2 ))
   (  segid "A   " and resid 107  and name HD% )
      2.700     0.900     0.900 peak  4688 spectrum    1 weight  0.10000E+01 volume  0.32712E-02 ppm1      2.649 ppm2      7.571 CV     1
 ASSI { 4688}
   (( segid "B   " and resid 107  and name HB2 ))
   (  segid "B   " and resid 107  and name HD% )
      2.700     0.900     0.900 peak  4688 spectrum    1 weight  0.10000E+01 volume  0.32712E-02 ppm1      2.649 ppm2      7.571 CV     1
 ASSI { 4692}
   (( segid "A   " and resid 7    and name HZ  ))
   (  segid "A   " and resid 7    and name HE% )
      2.100     0.500     0.500 peak  4692 spectrum    1 weight  0.10000E+01 volume  0.75504E-02 ppm1      6.834 ppm2      7.571 CV     1
 ASSI { 4692}
   (( segid "B   " and resid 7    and name HZ  ))
   (  segid "B   " and resid 7    and name HE% )
      2.100     0.500     0.500 peak  4692 spectrum    1 weight  0.10000E+01 volume  0.75504E-02 ppm1      6.834 ppm2      7.571 CV     1
 ASSI { 4697}
   (( segid "A   " and resid 85   and name HN  ))
   (  segid "A   " and resid 107  and name HD% )
      3.300     1.400     1.400 peak  4697 spectrum    1 weight  0.10000E+01 volume  0.10807E-02 ppm1      7.770 ppm2      7.571 CV     1
 ASSI { 4697}
   (( segid "B   " and resid 85   and name HN  ))
   (  segid "B   " and resid 107  and name HD% )
      3.300     1.400     1.400 peak  4697 spectrum    1 weight  0.10000E+01 volume  0.10807E-02 ppm1      7.770 ppm2      7.571 CV     1
 ASSI { 4701}
   (( segid "A   " and resid 105  and name HB2 ))
   (  segid "A   " and resid 107  and name HD% )
      3.000     1.100     1.100 peak  4701 spectrum    1 weight  0.10000E+01 volume  0.20901E-02 ppm1      3.081 ppm2      7.571 CV     1
 ASSI { 4701}
   (( segid "B   " and resid 105  and name HB2 ))
   (  segid "B   " and resid 107  and name HD% )
      3.000     1.100     1.100 peak  4701 spectrum    1 weight  0.10000E+01 volume  0.20901E-02 ppm1      3.081 ppm2      7.571 CV     1
 ASSI { 4706}
   (  segid "A   " and resid 85   and name HG1%)
   (  segid "A   " and resid 107  and name HD% )
      3.400     1.400     1.400 peak  4706 spectrum    1 weight  0.10000E+01 volume  0.21255E-02 ppm1      1.052 ppm2      7.571 CV     1
 ASSI { 4706}
   (  segid "B   " and resid 85   and name HG1%)
   (  segid "B   " and resid 107  and name HD% )
      3.400     1.400     1.400 peak  4706 spectrum    1 weight  0.10000E+01 volume  0.21255E-02 ppm1      1.052 ppm2      7.571 CV     1
 ASSI { 4707}
   (  segid "A   " and resid 74   and name HD2%)
   (  segid "B   " and resid 7    and name HE% )
      2.700     0.900     0.900 peak  4707 spectrum    1 weight  0.10000E+01 volume  0.21669E-02 ppm1      0.162 ppm2      7.571 CV     1
 ASSI { 4707}
   (  segid "B   " and resid 74   and name HD2%)
   (  segid "A   " and resid 7    and name HE% )
      2.700     0.900     0.900 peak  4707 spectrum    1 weight  0.10000E+01 volume  0.21669E-02 ppm1      0.162 ppm2      7.571 CV     1
 ASSI { 4721}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 120  and name HE3 ))
      3.300     1.300     1.300 peak  4721 spectrum    1 weight  0.10000E+01 volume  0.38872E-02 ppm1      1.647 ppm2      7.618 CV     1
 ASSI { 4721}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 120  and name HE3 ))
      3.300     1.300     1.300 peak  4721 spectrum    1 weight  0.10000E+01 volume  0.38872E-02 ppm1      1.647 ppm2      7.618 CV     1
 ASSI { 4724}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 120  and name HE3 ))
      2.400     0.700     0.700 peak  4724 spectrum    1 weight  0.10000E+01 volume  0.19704E-02 ppm1      2.654 ppm2      7.618 CV     1
 ASSI { 4724}
   (( segid "B   " and resid 27   and name HB3 ))
   (( segid "B   " and resid 120  and name HE3 ))
      2.400     0.700     0.700 peak  4724 spectrum    1 weight  0.10000E+01 volume  0.19704E-02 ppm1      2.654 ppm2      7.618 CV     1
 ASSI { 4726}
   (( segid "A   " and resid 117  and name HA  ))
   (( segid "A   " and resid 120  and name HE3 ))
      4.900     3.000     1.100 peak  4726 spectrum    1 weight  0.10000E+01 volume  0.57124E-03 ppm1      4.322 ppm2      7.618 CV     1
 ASSI { 4726}
   (( segid "B   " and resid 117  and name HA  ))
   (( segid "B   " and resid 120  and name HE3 ))
      4.900     3.000     1.100 peak  4726 spectrum    1 weight  0.10000E+01 volume  0.57124E-03 ppm1      4.322 ppm2      7.618 CV     1
 ASSI { 4727}
   (( segid "A   " and resid 119  and name HB3 ))
   (( segid "A   " and resid 120  and name HE3 ))
      3.600     1.600     1.600 peak  4727 spectrum    1 weight  0.10000E+01 volume  0.98298E-03 ppm1      1.968 ppm2      7.618 CV     1
 ASSI { 4727}
   (( segid "B   " and resid 119  and name HB3 ))
   (( segid "B   " and resid 120  and name HE3 ))
      3.600     1.600     1.600 peak  4727 spectrum    1 weight  0.10000E+01 volume  0.98298E-03 ppm1      1.968 ppm2      7.618 CV     1
 ASSI { 4728}
   (( segid "A   " and resid 27   and name HG2 ))
   (( segid "A   " and resid 120  and name HE3 ))
      5.000     3.100     1.000 peak  4728 spectrum    1 weight  0.10000E+01 volume  0.53775E-03 ppm1      1.998 ppm2      7.618 CV     1
 ASSI { 4728}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 120  and name HE3 ))
      5.000     3.100     1.000 peak  4728 spectrum    1 weight  0.10000E+01 volume  0.53775E-03 ppm1      1.998 ppm2      7.618 CV     1
 ASSI { 4731}
   (( segid "A   " and resid 27   and name HD3 ))
   (( segid "A   " and resid 120  and name HE3 ))
      3.500     1.500     1.500 peak  4731 spectrum    1 weight  0.10000E+01 volume  0.22772E-02 ppm1      4.048 ppm2      7.618 CV     1
 ASSI { 4731}
   (( segid "B   " and resid 27   and name HD3 ))
   (( segid "B   " and resid 120  and name HE3 ))
      3.500     1.500     1.500 peak  4731 spectrum    1 weight  0.10000E+01 volume  0.22772E-02 ppm1      4.048 ppm2      7.618 CV     1
 ASSI { 4733}
   (( segid "A   " and resid 120  and name HB2 ))
   (( segid "A   " and resid 120  and name HE3 ))
      2.700     0.900     0.900 peak  4733 spectrum    1 weight  0.10000E+01 volume  0.22325E-02 ppm1      3.453 ppm2      7.618 CV     1
 OR { 4733}
   (( segid "A   " and resid 120  and name HB3 ))
   (( segid "A   " and resid 120  and name HE3 ))
 ASSI { 4733}
   (( segid "B   " and resid 120  and name HB2 ))
   (( segid "B   " and resid 120  and name HE3 ))
      2.700     0.900     0.900 peak  4733 spectrum    1 weight  0.10000E+01 volume  0.22325E-02 ppm1      3.453 ppm2      7.618 CV     1
 OR { 4733}
   (( segid "B   " and resid 120  and name HB3 ))
   (( segid "B   " and resid 120  and name HE3 ))
 ASSI { 4736}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 120  and name HE3 ))
      4.500     2.600     1.500 peak  4736 spectrum    1 weight  0.10000E+01 volume  0.75006E-03 ppm1      4.577 ppm2      7.618 CV     1
 ASSI { 4736}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 120  and name HE3 ))
      4.500     2.600     1.500 peak  4736 spectrum    1 weight  0.10000E+01 volume  0.75006E-03 ppm1      4.577 ppm2      7.618 CV     1
 ASSI { 4738}
   (( segid "A   " and resid 27   and name HG3 ))
   (( segid "A   " and resid 120  and name HE3 ))
      4.100     2.100     1.900 peak  4738 spectrum    1 weight  0.10000E+01 volume  0.61706E-03 ppm1      2.217 ppm2      7.618 CV     1
 ASSI { 4738}
   (( segid "B   " and resid 27   and name HG3 ))
   (( segid "B   " and resid 120  and name HE3 ))
      4.100     2.100     1.900 peak  4738 spectrum    1 weight  0.10000E+01 volume  0.61706E-03 ppm1      2.217 ppm2      7.618 CV     1
 ASSI { 4740}
   (  segid "A   " and resid 88   and name HD% )
   (( segid "A   " and resid 120  and name HE3 ))
      2.900     1.000     1.000 peak  4740 spectrum    1 weight  0.10000E+01 volume  0.24793E-02 ppm1      6.936 ppm2      7.618 CV     1
 ASSI { 4740}
   (  segid "B   " and resid 88   and name HD% )
   (( segid "B   " and resid 120  and name HE3 ))
      2.900     1.000     1.000 peak  4740 spectrum    1 weight  0.10000E+01 volume  0.24793E-02 ppm1      6.936 ppm2      7.618 CV     1
 ASSI { 4741}
   (( segid "A   " and resid 120  and name HA  ))
   (( segid "A   " and resid 120  and name HE3 ))
      2.800     1.000     1.000 peak  4741 spectrum    1 weight  0.10000E+01 volume  0.20648E-02 ppm1      3.778 ppm2      7.618 CV     1
 ASSI { 4741}
   (( segid "B   " and resid 120  and name HA  ))
   (( segid "B   " and resid 120  and name HE3 ))
      2.800     1.000     1.000 peak  4741 spectrum    1 weight  0.10000E+01 volume  0.20648E-02 ppm1      3.778 ppm2      7.618 CV     1
 ASSI { 4747}
   (( segid "A   " and resid 73   and name HB3 ))
   (( segid "A   " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak  4747 spectrum    1 weight  0.10000E+01 volume  0.85988E-03 ppm1      1.800 ppm2      7.982 CV     1
 ASSI { 4747}
   (( segid "B   " and resid 73   and name HB3 ))
   (( segid "B   " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak  4747 spectrum    1 weight  0.10000E+01 volume  0.85988E-03 ppm1      1.800 ppm2      7.982 CV     1
 ASSI { 4750}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak  4750 spectrum    1 weight  0.10000E+01 volume  0.42067E-03 ppm1      0.483 ppm2      7.982 CV     1
 ASSI { 4750}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak  4750 spectrum    1 weight  0.10000E+01 volume  0.42067E-03 ppm1      0.483 ppm2      7.982 CV     1
 ASSI { 4751}
   (  segid "A   " and resid 45   and name HG1%)
   (( segid "A   " and resid 65   and name HN  ))
      3.800     1.800     1.800 peak  4751 spectrum    1 weight  0.10000E+01 volume  0.46307E-03 ppm1      0.864 ppm2      7.982 CV     1
 ASSI { 4751}
   (  segid "B   " and resid 45   and name HG1%)
   (( segid "B   " and resid 65   and name HN  ))
      3.800     1.800     1.800 peak  4751 spectrum    1 weight  0.10000E+01 volume  0.46307E-03 ppm1      0.864 ppm2      7.982 CV     1
 ASSI { 4752}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 64   and name HE1 ))
      4.300     2.300     1.700 peak  4752 spectrum    1 weight  0.10000E+01 volume  0.74288E-03 ppm1      2.959 ppm2      7.988 CV     1
 ASSI { 4752}
   (( segid "B   " and resid 64   and name HB2 ))
   (( segid "B   " and resid 64   and name HE1 ))
      4.300     2.300     1.700 peak  4752 spectrum    1 weight  0.10000E+01 volume  0.74288E-03 ppm1      2.959 ppm2      7.988 CV     1
 ASSI { 4753}
   (( segid "A   " and resid 64   and name HD2 ))
   (( segid "A   " and resid 64   and name HE1 ))
      3.600     1.600     1.600 peak  4753 spectrum    1 weight  0.10000E+01 volume  0.16668E-02 ppm1      7.023 ppm2      7.988 CV     1
 ASSI { 4753}
   (( segid "B   " and resid 64   and name HD2 ))
   (( segid "B   " and resid 64   and name HE1 ))
      3.600     1.600     1.600 peak  4753 spectrum    1 weight  0.10000E+01 volume  0.16668E-02 ppm1      7.023 ppm2      7.988 CV     1
 ASSI { 4761}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 128  and name HN  ))
      3.800     1.800     1.800 peak  4761 spectrum    1 weight  0.10000E+01 volume  0.10100E-02 ppm1      4.515 ppm2      9.050 CV     1
 ASSI { 4761}
   (( segid "B   " and resid 56   and name HA  ))
   (( segid "B   " and resid 128  and name HN  ))
      3.800     1.800     1.800 peak  4761 spectrum    1 weight  0.10000E+01 volume  0.10100E-02 ppm1      4.515 ppm2      9.050 CV     1
 ASSI { 4408}
   (( segid "B   " and resid 105  and name HN  ))
   (  segid "B   " and resid 105  and name HE% )
      3.900     1.900     1.900 peak  4408 spectrum    1 weight  0.10000E+01 volume  0.65128E-03 ppm1      8.111 ppm2      6.967 CV     1
 ASSI { 4599}
   (( segid "B   " and resid 12   and name HB3 ))
   (  segid "B   " and resid 11   and name HD% )
      4.600     2.600     1.400 peak  4599 spectrum    1 weight  0.10000E+01 volume  0.50656E-03 ppm1      1.835 ppm2      7.371 CV     1

! ambiguous distance restraints obtained after iterative NOE assignment
 ASSI {   36}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 81   and name HB3 ))
      4.500     2.500     1.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.40402E-03 ppm1      7.811 ppm2      1.720 CV     1
 OR {   36}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 103  and name HG2 ))
 ASSI {   42}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 106  and name HA2 ))
      2.600     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.65743E-02 ppm1      7.811 ppm2      4.360 CV     1
 OR {   42}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 105  and name HA  ))
 ASSI {   46}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 103  and name HB3 ))
      4.900     3.000     1.100 peak    46 spectrum    1 weight  0.10000E+01 volume  0.45795E-03 ppm1      7.822 ppm2      2.109 CV     1
 OR {   46}
   (( segid "A   " and resid 106  and name HN  ))
   (( segid "A   " and resid 104  and name HB2 ))
 ASSI {   56}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.14170E-02 ppm1      8.731 ppm2      3.754 CV     1
 OR {   56}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 66   and name HA  ))
 ASSI {   73}
   (( segid "A   " and resid 55   and name HN  ))
   (  segid "A   " and resid 53   and name HB% )
      4.000     2.000     2.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.16513E-02 ppm1      7.541 ppm2      1.482 CV     1
 OR {   73}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 51   and name HB3 ))
 ASSI {   78}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 100  and name HB2 ))
      4.800     2.900     1.200 peak    78 spectrum    1 weight  0.10000E+01 volume  0.99911E-03 ppm1      8.850 ppm2      1.914 CV     1
 OR {   78}
   (( segid "A   " and resid 99   and name HN  ))
   (( segid "A   " and resid 22   and name HB2 ))
 ASSI {   80}
   (( segid "A   " and resid 99   and name HN  ))
   (  segid "A   " and resid 87   and name HG2%)
      2.900     1.000     1.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.41983E-02 ppm1      8.850 ppm2      0.789 CV     1
 OR {   80}
   (( segid "A   " and resid 99   and name HN  ))
   (  segid "A   " and resid 110  and name HD1%)
 ASSI {   86}
   (( segid "A   " and resid 114  and name HN  ))
   (  segid "A   " and resid 30   and name HB% )
      3.600     1.600     1.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      9.965 ppm2      1.633 CV     1
 OR {   86}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 27   and name HB2 ))
 OR {   86}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 119  and name HD2 ))
 ASSI {   87}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 114  and name HG3 ))
      4.300     2.400     1.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.86676E-03 ppm1      9.975 ppm2      2.217 CV     1
 OR {   87}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 24   and name HB3 ))
 OR {   87}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI {   89}
   (( segid "A   " and resid 114  and name HN  ))
   (( segid "A   " and resid 114  and name HB2 ))
      2.600     0.900     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.36852E-02 ppm1      9.975 ppm2      1.806 CV     1
 OR {   89}
   (( segid "A   " and resid 114  and name HN  ))
   (  segid "A   " and resid 24   and name HE% )
 ASSI {   94}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 122  and name HB3 ))
      3.700     1.700     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.19891E-02 ppm1      7.779 ppm2      2.261 CV     1
 OR {   94}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 125  and name HB2 ))
 OR {   94}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 122  and name HB2 ))
 OR {   94}
   (( segid "A   " and resid 124  and name HN  ))
   (( segid "A   " and resid 125  and name HB3 ))
 ASSI {  115}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      4.400     2.400     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.55865E-03 ppm1      7.779 ppm2      4.295 CV     1
 OR {  115}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 109  and name HA  ))
 OR {  115}
   (( segid "A   " and resid 85   and name HN  ))
   (( segid "A   " and resid 108  and name HA  ))
 ASSI {  138}
   (( segid "A   " and resid 61   and name HD21))
   (( segid "A   " and resid 40   and name HB  ))
      4.200     2.200     1.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.37548E-03 ppm1      6.491 ppm2      1.828 CV     1
 OR {  138}
   (( segid "A   " and resid 61   and name HD21))
   (( segid "A   " and resid 60   and name HB3 ))
 OR {  138}
   (( segid "A   " and resid 61   and name HD21))
   (( segid "A   " and resid 60   and name HB2 ))
 ASSI {  139}
   (( segid "A   " and resid 61   and name HD21))
   (  segid "A   " and resid 41   and name HG2%)
      3.800     1.800     1.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.80993E-03 ppm1      6.491 ppm2      0.789 CV     1
 OR {  139}
   (( segid "A   " and resid 61   and name HD21))
   (  segid "A   " and resid 34   and name HD2%)
 ASSI {  140}
   (( segid "A   " and resid 61   and name HD21))
   (  segid "A   " and resid 59   and name HG2%)
      4.200     2.200     1.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.37236E-03 ppm1      6.491 ppm2      0.681 CV     1
 OR {  140}
   (( segid "A   " and resid 61   and name HD21))
   (  segid "A   " and resid 40   and name HG2%)
 ASSI {  148}
   (( segid "A   " and resid 61   and name HD22))
   (( segid "A   " and resid 60   and name HB3 ))
      3.800     1.800     1.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.38866E-03 ppm1      7.238 ppm2      1.828 CV     1
 OR {  148}
   (( segid "A   " and resid 61   and name HD22))
   (( segid "A   " and resid 60   and name HB2 ))
 OR {  148}
   (( segid "A   " and resid 61   and name HD22))
   (( segid "A   " and resid 40   and name HB  ))
 ASSI {  149}
   (( segid "A   " and resid 61   and name HD22))
   (  segid "A   " and resid 34   and name HD2%)
      4.300     2.300     1.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.85452E-03 ppm1      7.238 ppm2      0.789 CV     1
 OR {  149}
   (( segid "A   " and resid 61   and name HD22))
   (  segid "A   " and resid 41   and name HG2%)
 ASSI {  169}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 52   and name HB3 ))
      4.100     2.100     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.66271E-03 ppm1      8.320 ppm2      1.806 CV     1
 OR {  169}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 121  and name HG  ))
 ASSI {  170}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 70   and name HB3 ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.29492E-02 ppm1     10.213 ppm2      1.655 CV     1
 OR {  170}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 74   and name HB3 ))
 ASSI {  173}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 65   and name HB3 ))
      4.100     2.100     1.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.15117E-02 ppm1     10.224 ppm2      1.525 CV     1
 OR {  173}
   (( segid "A   " and resid 71   and name HN  ))
   (( segid "A   " and resid 74   and name HG  ))
 ASSI {  185}
   (( segid "A   " and resid 14   and name HE22))
   (( segid "A   " and resid 14   and name HG2 ))
      3.700     1.700     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.25055E-02 ppm1      7.671 ppm2      2.304 CV     1
 OR {  185}
   (( segid "A   " and resid 14   and name HE22))
   (( segid "B   " and resid 104  and name HG2 ))
 ASSI {  203}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HE3 ))
      5.000     3.200     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.92885E-03 ppm1      8.266 ppm2      2.932 CV     1
 OR {  203}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 29   and name HB3 ))
 OR {  203}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HE2 ))
 ASSI {  211}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 128  and name HG  ))
      4.200     2.200     1.800 peak   211 spectrum    1 weight  0.10000E+01 volume  0.11607E-02 ppm1      6.881 ppm2      1.157 CV     1
 OR {  211}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HG3 ))
 ASSI {  214}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HN  ))
      3.600     1.700     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      6.881 ppm2      7.995 CV     1
 OR {  214}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 62   and name HN  ))
 ASSI {  217}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HA  ))
      3.900     1.900     1.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.75190E-03 ppm1      6.881 ppm2      4.035 CV     1
 OR {  217}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
 ASSI {  232}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 76   and name HB2 ))
      2.200     0.600     0.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.10749E-01 ppm1      7.498 ppm2      1.655 CV     1
 OR {  232}
   (( segid "A   " and resid 76   and name HN  ))
   (  segid "A   " and resid 75   and name HB% )
 ASSI {  244}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
      4.000     2.000     2.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.11257E-02 ppm1      8.331 ppm2      1.785 CV     1
 OR {  244}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 121  and name HG  ))
 ASSI {  245}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 128  and name HB2 ))
      3.200     1.300     1.300 peak   245 spectrum    1 weight  0.10000E+01 volume  0.27142E-02 ppm1      8.331 ppm2      1.309 CV     1
 OR {  245}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HB3 ))
 OR {  245}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 51   and name HG  ))
 ASSI {  256}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 36   and name HB3 ))
      3.100     1.200     1.200 peak   256 spectrum    1 weight  0.10000E+01 volume  0.74159E-02 ppm1      7.844 ppm2      2.023 CV     1
 OR {  256}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 35   and name HB3 ))
 ASSI {  262}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.36971E-02 ppm1      7.844 ppm2      3.862 CV     1
 OR {  262}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 35   and name HA  ))
 ASSI {  274}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 124  and name HA2 ))
      4.500     2.500     1.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.93749E-03 ppm1      8.168 ppm2      3.840 CV     1
 OR {  274}
   (( segid "A   " and resid 123  and name HN  ))
   (( segid "A   " and resid 125  and name HA  ))
 ASSI {  285}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 47   and name HB2 ))
      3.100     1.200     1.200 peak   285 spectrum    1 weight  0.10000E+01 volume  0.40927E-02 ppm1      8.969 ppm2      2.737 CV     1
 OR {  285}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HB3 ))
 OR {  285}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "B   " and resid 49   and name HB3 ))
 ASSI {  306}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HB  ))
      4.200     2.200     1.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.71161E-03 ppm1      8.742 ppm2      2.304 CV     1
 OR {  306}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HB2 ))
 ASSI {  317}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 48   and name HA  ))
      3.600     1.600     1.600 peak   317 spectrum    1 weight  0.10000E+01 volume  0.11475E-02 ppm1      8.969 ppm2      4.122 CV     1
 OR {  317}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "B   " and resid 50   and name HA  ))
 OR {  317}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
 ASSI {  339}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.54211E-02 ppm1      7.606 ppm2      1.655 CV     1
 OR {  339}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HB3 ))
 OR {  339}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 74   and name HB3 ))
 ASSI {  340}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 65   and name HB3 ))
      3.800     1.800     1.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.16529E-02 ppm1      7.606 ppm2      1.525 CV     1
 OR {  340}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 74   and name HG  ))
 ASSI {  349}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 70   and name HA  ))
      3.000     1.100     1.100 peak   349 spectrum    1 weight  0.10000E+01 volume  0.19236E-02 ppm1      7.606 ppm2      3.278 CV     1
 OR {  349}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
 ASSI {  361}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 21   and name HB2 ))
      3.000     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.67327E-02 ppm1      7.260 ppm2      2.520 CV     1
 OR {  361}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 22   and name HG2 ))
 ASSI {  363}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 76   and name HB2 ))
      2.800     1.000     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.25655E-02 ppm1      7.876 ppm2      1.655 CV     1
 OR {  363}
   (( segid "A   " and resid 77   and name HN  ))
   (  segid "A   " and resid 75   and name HB% )
 ASSI {  365}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 76   and name HG2 ))
      4.000     2.000     2.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.13854E-02 ppm1      7.876 ppm2      1.395 CV     1
 OR {  365}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 79   and name HG  ))
 ASSI {  381}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 40   and name HG13))
      4.100     2.100     1.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.12676E-02 ppm1      7.433 ppm2      1.741 CV     1
 OR {  381}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 33   and name HB3 ))
 ASSI {  383}
   (( segid "A   " and resid 37   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
      3.700     1.700     1.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      7.433 ppm2      0.768 CV     1
 OR {  383}
   (( segid "A   " and resid 37   and name HN  ))
   (  segid "A   " and resid 34   and name HD2%)
 ASSI {  391}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.41910E-02 ppm1      7.433 ppm2      3.862 CV     1
 OR {  391}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 38   and name HD3 ))
 OR {  391}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
 ASSI {  407}
   (( segid "A   " and resid 22   and name HN  ))
   (  segid "A   " and resid 18   and name HB% )
      4.200     2.200     1.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.56992E-03 ppm1      7.682 ppm2      1.395 CV     1
 OR {  407}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 100  and name HG2 ))
 ASSI {  415}
   (( segid "A   " and resid 22   and name HN  ))
   (  segid "A   " and resid 23   and name HG2%)
      4.200     2.200     1.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.93605E-03 ppm1      7.692 ppm2      0.811 CV     1
 OR {  415}
   (( segid "A   " and resid 22   and name HN  ))
   (  segid "A   " and resid 110  and name HG2%)
 ASSI {  425}
   (( segid "A   " and resid 115  and name HN  ))
   (( segid "A   " and resid 114  and name HB3 ))
      3.900     1.900     1.900 peak   425 spectrum    1 weight  0.10000E+01 volume  0.76460E-03 ppm1      8.536 ppm2      1.979 CV     1
 OR {  425}
   (( segid "A   " and resid 115  and name HN  ))
   (( segid "A   " and resid 119  and name HB3 ))
 ASSI {  427}
   (( segid "A   " and resid 115  and name HN  ))
   (( segid "A   " and resid 27   and name HG3 ))
      4.300     2.300     1.700 peak   427 spectrum    1 weight  0.10000E+01 volume  0.66127E-03 ppm1      8.547 ppm2      2.239 CV     1
 OR {  427}
   (( segid "A   " and resid 115  and name HN  ))
   (( segid "A   " and resid 114  and name HG3 ))
 ASSI {  429}
   (( segid "A   " and resid 115  and name HN  ))
   (( segid "A   " and resid 114  and name HB2 ))
      3.100     1.200     1.200 peak   429 spectrum    1 weight  0.10000E+01 volume  0.49342E-02 ppm1      8.547 ppm2      1.806 CV     1
 OR {  429}
   (( segid "A   " and resid 115  and name HN  ))
   (  segid "A   " and resid 24   and name HE% )
 ASSI {  430}
   (( segid "A   " and resid 115  and name HN  ))
   (( segid "A   " and resid 119  and name HD2 ))
      4.700     2.700     1.300 peak   430 spectrum    1 weight  0.10000E+01 volume  0.82720E-03 ppm1      8.547 ppm2      1.655 CV     1
 OR {  430}
   (( segid "A   " and resid 115  and name HN  ))
   (( segid "A   " and resid 27   and name HB2 ))
 ASSI {  437}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 35   and name HG2 ))
      2.300     0.600     0.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.12216E-01 ppm1      8.039 ppm2      1.871 CV     1
 OR {  437}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 34   and name HB3 ))
 OR {  437}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 35   and name HB2 ))
 ASSI {  439}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 33   and name HB2 ))
      5.000     3.100     1.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.26206E-03 ppm1      8.039 ppm2      1.438 CV     1
 OR {  439}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 32   and name HG3 ))
 OR {  439}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 60   and name HG2 ))
 ASSI {  441}
   (( segid "A   " and resid 35   and name HN  ))
   (  segid "A   " and resid 34   and name HD2%)
      4.500     2.600     1.500 peak   441 spectrum    1 weight  0.10000E+01 volume  0.69989E-03 ppm1      8.039 ppm2      0.768 CV     1
 OR {  441}
   (( segid "A   " and resid 35   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
 ASSI {  446}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 35   and name HA  ))
      2.400     0.700     0.700 peak   446 spectrum    1 weight  0.10000E+01 volume  0.63945E-02 ppm1      8.039 ppm2      3.862 CV     1
 OR {  446}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 34   and name HA  ))
 ASSI {  450}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 51   and name HB3 ))
      3.000     1.100     1.100 peak   450 spectrum    1 weight  0.10000E+01 volume  0.57135E-02 ppm1      6.913 ppm2      1.482 CV     1
 OR {  450}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 53   and name HB% )
 OR {  450}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HG3 ))
 ASSI {  455}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      3.500     1.600     1.600 peak   455 spectrum    1 weight  0.10000E+01 volume  0.12633E-02 ppm1      6.913 ppm2      4.143 CV     1
 OR {  455}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 48   and name HA  ))
 ASSI {  458}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 49   and name HB2 ))
      4.300     2.300     1.700 peak   458 spectrum    1 weight  0.10000E+01 volume  0.48192E-03 ppm1      6.913 ppm2      2.607 CV     1
 OR {  458}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "B   " and resid 49   and name HB2 ))
 ASSI {  463}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 21   and name HB3 ))
      4.700     2.700     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.57736E-03 ppm1      7.119 ppm2      2.910 CV     1
 OR {  463}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 24   and name HG3 ))
 ASSI {  470}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 18   and name HN  ))
      3.500     1.600     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.12844E-02 ppm1      7.130 ppm2      7.930 CV     1
 OR {  470}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 17   and name HN  ))
 ASSI {  475}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.38531E-02 ppm1      7.130 ppm2      4.100 CV     1
 OR {  475}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 18   and name HA  ))
 ASSI {  477}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 22   and name HG2 ))
      4.300     2.300     1.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.77611E-03 ppm1      7.130 ppm2      2.520 CV     1
 OR {  477}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 21   and name HB2 ))
 ASSI {  492}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 73   and name HB3 ))
      3.500     1.500     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.13134E-02 ppm1      7.649 ppm2      1.828 CV     1
 OR {  492}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HG2 ))
 ASSI {  495}
   (( segid "A   " and resid 66   and name HN  ))
   (  segid "A   " and resid 73   and name HD1%)
      3.700     1.700     1.700 peak   495 spectrum    1 weight  0.10000E+01 volume  0.28244E-02 ppm1      7.649 ppm2      0.659 CV     1
 OR {  495}
   (( segid "A   " and resid 66   and name HN  ))
   (  segid "A   " and resid 70   and name HD2%)
 ASSI {  499}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HA  ))
      2.000     0.500     0.500 peak   499 spectrum    1 weight  0.10000E+01 volume  0.15647E-01 ppm1      7.649 ppm2      3.776 CV     1
 OR {  499}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 66   and name HA  ))
 ASSI {  504}
   (( segid "A   " and resid 82   and name HN  ))
   (  segid "B   " and resid 7    and name HE% )
      4.300     2.400     1.700 peak   504 spectrum    1 weight  0.10000E+01 volume  0.47019E-03 ppm1      8.309 ppm2      7.563 CV     1
 OR {  504}
   (( segid "A   " and resid 82   and name HN  ))
   (  segid "A   " and resid 107  and name HD% )
 ASSI {  516}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.47712E-02 ppm1      8.320 ppm2      4.122 CV     1
 OR {  516}
   (( segid "A   " and resid 82   and name HN  ))
   (( segid "A   " and resid 81   and name HD3 ))
 ASSI {  524}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 34   and name HB3 ))
      3.200     1.300     1.300 peak   524 spectrum    1 weight  0.10000E+01 volume  0.48768E-02 ppm1      7.985 ppm2      1.871 CV     1
 OR {  524}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 40   and name HB  ))
 OR {  524}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 32   and name HB3 ))
 ASSI {  525}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 34   and name HG  ))
      2.400     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.63682E-02 ppm1      7.985 ppm2      1.741 CV     1
 OR {  525}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 33   and name HB3 ))
 ASSI {  530}
   (( segid "A   " and resid 34   and name HN  ))
   (  segid "A   " and resid 34   and name HD2%)
      3.700     1.700     1.700 peak   530 spectrum    1 weight  0.10000E+01 volume  0.23137E-02 ppm1      7.985 ppm2      0.768 CV     1
 OR {  530}
   (( segid "A   " and resid 34   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
 ASSI {  535}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 34   and name HA  ))
      2.600     0.900     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.35103E-02 ppm1      7.985 ppm2      3.862 CV     1
 OR {  535}
   (( segid "A   " and resid 34   and name HN  ))
   (( segid "A   " and resid 33   and name HA  ))
 ASSI {  557}
   (( segid "A   " and resid 10   and name HN  ))
   (  segid "B   " and resid 105  and name HD% )
      3.900     1.900     1.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.11825E-02 ppm1      8.396 ppm2      7.454 CV     1
 OR {  557}
   (( segid "A   " and resid 10   and name HN  ))
   (  segid "A   " and resid 7    and name HD% )
 ASSI {  565}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 9    and name HA  ))
      3.000     1.200     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.23547E-02 ppm1      8.785 ppm2      4.122 CV     1
 OR {  565}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
 ASSI {  581}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 120  and name HH2 ))
      4.700     2.700     1.300 peak   581 spectrum    1 weight  0.10000E+01 volume  0.61189E-03 ppm1      7.692 ppm2      6.848 CV     1
 OR {  581}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 31   and name HE% )
 ASSI {  634}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 23   and name HN  ))
      4.200     2.200     1.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.62770E-03 ppm1      8.818 ppm2      7.671 CV     1
 OR {  634}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 100  and name HN  ))
 ASSI {  637}
   (( segid "A   " and resid 109  and name HN  ))
   (  segid "A   " and resid 85   and name HG2%)
      3.900     1.900     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.13343E-02 ppm1      9.131 ppm2      0.768 CV     1
 OR {  637}
   (( segid "A   " and resid 109  and name HN  ))
   (  segid "A   " and resid 110  and name HG2%)
 OR {  637}
   (( segid "A   " and resid 109  and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
 ASSI {  639}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak   639 spectrum    1 weight  0.10000E+01 volume  0.35582E-02 ppm1      9.131 ppm2      4.295 CV     1
 OR {  639}
   (( segid "A   " and resid 109  and name HN  ))
   (( segid "A   " and resid 108  and name HA  ))
 ASSI {  657}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 105  and name HA  ))
      2.900     1.100     1.100 peak   657 spectrum    1 weight  0.10000E+01 volume  0.30570E-02 ppm1      8.114 ppm2      4.338 CV     1
 OR {  657}
   (( segid "A   " and resid 105  and name HN  ))
   (( segid "A   " and resid 106  and name HA2 ))
 ASSI {  669}
   (( segid "A   " and resid 112  and name HN  ))
   (  segid "A   " and resid 24   and name HE% )
      3.700     1.700     1.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.21327E-02 ppm1      8.818 ppm2      1.828 CV     1
 OR {  669}
   (( segid "A   " and resid 112  and name HN  ))
   (( segid "A   " and resid 25   and name HB3 ))
 ASSI {  691}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 116  and name HA2 ))
      3.800     1.800     1.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.48674E-03 ppm1      9.088 ppm2      3.429 CV     1
 OR {  691}
   (( segid "A   " and resid 118  and name HN  ))
   (( segid "A   " and resid 120  and name HB2 ))
 ASSI {  705}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 101  and name HA  ))
      2.400     0.700     0.700 peak   705 spectrum    1 weight  0.10000E+01 volume  0.74952E-02 ppm1      7.822 ppm2      4.078 CV     1
 OR {  705}
   (( segid "A   " and resid 101  and name HN  ))
   (( segid "A   " and resid 100  and name HA  ))
 ASSI {  717}
   (( segid "A   " and resid 67   and name HN  ))
   (  segid "A   " and resid 45   and name HG2%)
      4.400     2.500     1.600 peak   717 spectrum    1 weight  0.10000E+01 volume  0.61906E-03 ppm1      8.331 ppm2      0.681 CV     1
 OR {  717}
   (( segid "A   " and resid 67   and name HN  ))
   (  segid "A   " and resid 73   and name HD1%)
 ASSI {  727}
   (( segid "A   " and resid 102  and name HN  ))
   (( segid "A   " and resid 101  and name HA  ))
      3.300     1.300     1.300 peak   727 spectrum    1 weight  0.10000E+01 volume  0.12667E-02 ppm1      8.731 ppm2      4.078 CV     1
 OR {  727}
   (( segid "A   " and resid 102  and name HN  ))
   (( segid "A   " and resid 100  and name HA  ))
 ASSI {  730}
   (( segid "A   " and resid 102  and name HN  ))
   (( segid "A   " and resid 102  and name HB2 ))
      2.600     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.30259E-02 ppm1      8.742 ppm2      0.789 CV     1
 OR {  730}
   (( segid "A   " and resid 102  and name HN  ))
   (  segid "A   " and resid 110  and name HD1%)
 ASSI {  735}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 25   and name HB2 ))
      3.100     1.200     1.200 peak   735 spectrum    1 weight  0.10000E+01 volume  0.34477E-02 ppm1      9.272 ppm2      1.611 CV     1
 OR {  735}
   (( segid "A   " and resid 26   and name HN  ))
   (  segid "A   " and resid 30   and name HB% )
 ASSI {  774}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 61   and name HB2 ))
      2.900     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.44452E-02 ppm1      9.294 ppm2      2.758 CV     1
 OR {  774}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 62   and name HB3 ))
 OR {  774}
   (( segid "A   " and resid 61   and name HN  ))
   (( segid "A   " and resid 62   and name HB2 ))
 ASSI {  776}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 49   and name HA  ))
      3.900     1.900     1.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.74470E-03 ppm1      6.848 ppm2      4.295 CV     1
 OR {  776}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 55   and name HA2 ))
 ASSI {  787}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   787 spectrum    1 weight  0.10000E+01 volume  0.89985E-03 ppm1      6.859 ppm2      7.541 CV     1
 OR {  787}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 55   and name HN  ))
 ASSI {  790}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.22655E-02 ppm1      6.859 ppm2      4.122 CV     1
 OR {  790}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
 ASSI {  792}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 79   and name HG  ))
      2.300     0.600     0.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.12940E-01 ppm1      7.833 ppm2      1.395 CV     1
 OR {  792}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HG2 ))
 OR {  792}
   (( segid "A   " and resid 16   and name HN  ))
   (  segid "A   " and resid 17   and name HB% )
 ASSI {  793}
   (( segid "A   " and resid 79   and name HN  ))
   (  segid "A   " and resid 79   and name HD1%)
      2.500     0.800     0.800 peak   793 spectrum    1 weight  0.10000E+01 volume  0.57257E-02 ppm1      7.833 ppm2      0.746 CV     1
 OR {  793}
   (( segid "A   " and resid 16   and name HN  ))
   (  segid "A   " and resid 15   and name HG1%)
 ASSI {  797}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 80   and name HN  ))
      3.800     1.800     1.800 peak   797 spectrum    1 weight  0.10000E+01 volume  0.12281E-02 ppm1      7.833 ppm2      8.601 CV     1
 OR {  797}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "B   " and resid 4    and name HN  ))
 ASSI {  805}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 5    and name HG3 ))
      3.800     1.800     1.800 peak   805 spectrum    1 weight  0.10000E+01 volume  0.20831E-02 ppm1      8.201 ppm2      2.391 CV     1
 OR {  805}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 3    and name HG3 ))
 ASSI {  820}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 122  and name HB2 ))
      4.000     2.000     2.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.10890E-02 ppm1      7.454 ppm2      2.239 CV     1
 OR {  820}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 122  and name HB3 ))
 OR {  820}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 27   and name HG3 ))
 ASSI {  826}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 120  and name HA  ))
      4.400     2.400     1.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.10147E-02 ppm1      7.454 ppm2      3.776 CV     1
 OR {  826}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 115  and name HA1 ))
 ASSI {  828}
   (( segid "A   " and resid 79   and name HN  ))
   (  segid "A   " and resid 74   and name HD2%)
      4.800     2.900     1.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.49751E-03 ppm1      7.822 ppm2      0.162 CV     1
 OR {  828}
   (( segid "A   " and resid 79   and name HN  ))
   (  segid "A   " and resid 102  and name HD1%)
 ASSI {  831}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 78   and name HA2 ))
      6.000     6.000     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      7.833 ppm2      4.122 CV     1
 OR {  831}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
 ASSI {  832}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
      6.000     4.600     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      7.833 ppm2      3.797 CV     1
 OR {  832}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 78   and name HA1 ))
 ASSI {  833}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "A   " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak   833 spectrum    1 weight  0.10000E+01 volume  0.41455E-02 ppm1      7.833 ppm2      4.252 CV     1
 OR {  833}
   (( segid "A   " and resid 79   and name HN  ))
   (( segid "B   " and resid 4    and name HA2 ))
 ASSI {  837}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HB3 ))
      2.400     0.700     0.700 peak   837 spectrum    1 weight  0.10000E+01 volume  0.71139E-02 ppm1      8.352 ppm2      2.888 CV     1
 OR {  837}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HB2 ))
 OR {  837}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 8    and name HB3 ))
 ASSI {  850}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HN  ))
      2.400     0.700     0.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.67733E-02 ppm1      8.590 ppm2      8.363 CV     1
 OR {  850}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 9    and name HN  ))
 ASSI {  861}
   (( segid "A   " and resid 113  and name HN  ))
   (  segid "A   " and resid 24   and name HE% )
      3.800     1.800     1.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.61549E-03 ppm1      7.249 ppm2      1.806 CV     1
 OR {  861}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 114  and name HB2 ))
 ASSI {  862}
   (( segid "A   " and resid 113  and name HN  ))
   (( segid "A   " and resid 25   and name HB2 ))
      4.300     2.300     1.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.42847E-03 ppm1      7.249 ppm2      1.611 CV     1
 OR {  862}
   (( segid "A   " and resid 113  and name HN  ))
   (  segid "A   " and resid 30   and name HB% )
 ASSI {  873}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 116  and name HA2 ))
      3.800     1.900     1.900 peak   873 spectrum    1 weight  0.10000E+01 volume  0.74616E-03 ppm1      7.454 ppm2      3.451 CV     1
 OR {  873}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 120  and name HB2 ))
 OR {  873}
   (( segid "A   " and resid 119  and name HN  ))
   (( segid "A   " and resid 120  and name HB3 ))
 ASSI {  875}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 97   and name HB3 ))
      4.400     2.400     1.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.16064E-02 ppm1      7.584 ppm2      1.936 CV     1
 OR {  875}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 100  and name HB2 ))
 ASSI {  876}
   (( segid "A   " and resid 96   and name HN  ))
   (  segid "A   " and resid 24   and name HE% )
      3.700     1.700     1.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.20464E-02 ppm1      7.584 ppm2      1.806 CV     1
 OR {  876}
   (( segid "A   " and resid 96   and name HN  ))
   (( segid "A   " and resid 19   and name HB3 ))
 ASSI {  889}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HB3 ))
      2.000     0.500     0.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.12300E-01 ppm1      8.277 ppm2      1.655 CV     1
 OR {  889}
   (( segid "A   " and resid 75   and name HN  ))
   (  segid "A   " and resid 75   and name HB% )
 ASSI {  901}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 73   and name HB3 ))
      4.600     2.600     1.400 peak   901 spectrum    1 weight  0.10000E+01 volume  0.47642E-03 ppm1      8.287 ppm2      1.806 CV     1
 OR {  901}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 102  and name HB3 ))
 ASSI {  913}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 19   and name HB3 ))
      3.300     1.400     1.400 peak   913 spectrum    1 weight  0.10000E+01 volume  0.33735E-02 ppm1      7.941 ppm2      1.850 CV     1
 OR {  913}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 16   and name HB3 ))
 OR {  913}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
 ASSI {  915}
   (( segid "A   " and resid 18   and name HN  ))
   (  segid "A   " and resid 18   and name HB% )
      2.100     0.600     0.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.19603E-01 ppm1      7.941 ppm2      1.417 CV     1
 OR {  915}
   (( segid "A   " and resid 18   and name HN  ))
   (  segid "A   " and resid 17   and name HB% )
 ASSI {  919}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.13710E-02 ppm1      7.941 ppm2      3.797 CV     1
 OR {  919}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
 ASSI {  921}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 83   and name HB3 ))
      2.500     0.800     0.800 peak   921 spectrum    1 weight  0.10000E+01 volume  0.57761E-02 ppm1      7.995 ppm2      2.109 CV     1
 OR {  921}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HG2 ))
 ASSI {  922}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HB2 ))
      2.900     1.000     1.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.53637E-02 ppm1      7.995 ppm2      1.914 CV     1
 OR {  922}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 83   and name HB2 ))
 ASSI {  928}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 82   and name HA  ))
      2.800     1.000     1.000 peak   928 spectrum    1 weight  0.10000E+01 volume  0.40280E-02 ppm1      7.995 ppm2      4.122 CV     1
 OR {  928}
   (( segid "A   " and resid 83   and name HN  ))
   (( segid "A   " and resid 84   and name HD3 ))
 ASSI {  933}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 73   and name HN  ))
      4.000     2.000     2.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.13647E-02 ppm1      8.277 ppm2      7.584 CV     1
 OR {  933}
   (( segid "A   " and resid 75   and name HN  ))
   (  segid "B   " and resid 7    and name HE% )
 ASSI {  936}
   (( segid "A   " and resid 29   and name HN  ))
   (  segid "A   " and resid 30   and name HB% )
      3.500     1.500     1.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.39681E-02 ppm1      7.649 ppm2      1.611 CV     1
 OR {  936}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HD2 ))
 OR {  936}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HD3 ))
 ASSI {  954}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 34   and name HA  ))
      4.700     2.800     1.300 peak   954 spectrum    1 weight  0.10000E+01 volume  0.45747E-03 ppm1      7.746 ppm2      3.840 CV     1
 OR {  954}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 38   and name HD3 ))
 ASSI {  960}
   (( segid "A   " and resid 107  and name HN  ))
   (  segid "A   " and resid 110  and name HG2%)
      4.000     2.000     2.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.15065E-02 ppm1      8.363 ppm2      0.768 CV     1
 OR {  960}
   (( segid "A   " and resid 107  and name HN  ))
   (  segid "A   " and resid 110  and name HD1%)
 OR {  960}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 102  and name HB2 ))
 ASSI {  961}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 105  and name HN  ))
      4.000     2.000     2.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.12609E-02 ppm1      8.363 ppm2      8.082 CV     1
 OR {  961}
   (( segid "A   " and resid 107  and name HN  ))
   (( segid "A   " and resid 104  and name HN  ))
 ASSI {  970}
   (( segid "A   " and resid 14   and name HN  ))
   (  segid "A   " and resid 17   and name HB% )
      4.100     2.100     1.900 peak   970 spectrum    1 weight  0.10000E+01 volume  0.97442E-03 ppm1      8.536 ppm2      1.417 CV     1
 OR {  970}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 16   and name HG2 ))
 ASSI {  975}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
      3.900     1.900     1.900 peak   975 spectrum    1 weight  0.10000E+01 volume  0.86243E-03 ppm1      8.547 ppm2      1.850 CV     1
 OR {  975}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 12   and name HB3 ))
 OR {  975}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 16   and name HB3 ))
 ASSI {  999}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 81   and name HD3 ))
      4.100     2.100     1.900 peak   999 spectrum    1 weight  0.10000E+01 volume  0.96169E-03 ppm1      8.601 ppm2      4.100 CV     1
 OR {  999}
   (( segid "A   " and resid 80   and name HN  ))
   (( segid "A   " and resid 82   and name HA  ))
 ASSI { 1004}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 3    and name HG3 ))
      4.900     3.000     1.100 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.46058E-03 ppm1      7.790 ppm2      2.391 CV     1
 OR { 1004}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 3    and name HG2 ))
 OR { 1004}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 5    and name HG3 ))
 ASSI { 1014}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.33375E-02 ppm1      7.790 ppm2      4.208 CV     1
 OR { 1014}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 5    and name HA  ))
 ASSI { 1021}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 102  and name HB2 ))
      5.100     3.300     0.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.38842E-03 ppm1      8.060 ppm2      0.768 CV     1
 OR { 1021}
   (( segid "A   " and resid 104  and name HN  ))
   (  segid "A   " and resid 110  and name HD1%)
 OR { 1021}
   (( segid "A   " and resid 104  and name HN  ))
   (  segid "A   " and resid 110  and name HG2%)
 ASSI { 1029}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 106  and name HN  ))
      3.900     1.900     1.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.12765E-02 ppm1      8.071 ppm2      7.801 CV     1
 OR { 1029}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 101  and name HN  ))
 ASSI { 1031}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 105  and name HA  ))
      4.700     2.800     1.300 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.43518E-03 ppm1      8.071 ppm2      4.338 CV     1
 OR { 1031}
   (( segid "A   " and resid 104  and name HN  ))
   (( segid "A   " and resid 106  and name HA2 ))
 ASSI { 1042}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 42   and name HG  ))
      4.400     2.400     1.600 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.80801E-03 ppm1      8.764 ppm2      1.287 CV     1
 OR { 1042}
   (( segid "A   " and resid 86   and name HN  ))
   (( segid "A   " and resid 110  and name HG12))
 ASSI { 1044}
   (( segid "A   " and resid 86   and name HN  ))
   (  segid "A   " and resid 86   and name HG1%)
      2.400     0.700     0.700 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.55890E-02 ppm1      8.764 ppm2      0.768 CV     1
 OR { 1044}
   (( segid "A   " and resid 86   and name HN  ))
   (  segid "A   " and resid 85   and name HG2%)
 ASSI { 1051}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.99167E-03 ppm1      9.045 ppm2      4.403 CV     1
 OR { 1051}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 129  and name HA  ))
 ASSI { 1054}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 128  and name HG  ))
      3.000     1.100     1.100 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.26494E-02 ppm1      9.056 ppm2      1.179 CV     1
 OR { 1054}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 56   and name HD3 ))
 ASSI { 1063}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 58   and name HB3 ))
      4.300     2.300     1.700 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.56586E-03 ppm1      9.056 ppm2      2.780 CV     1
 OR { 1063}
   (( segid "A   " and resid 128  and name HN  ))
   (( segid "A   " and resid 129  and name HB3 ))
 ASSI { 1066}
   (( segid "A   " and resid 87   and name HN  ))
   (  segid "A   " and resid 86   and name HG2%)
      2.100     0.500     0.500 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.10240E-01 ppm1      9.142 ppm2      0.832 CV     1
 OR { 1066}
   (( segid "A   " and resid 87   and name HN  ))
   (  segid "A   " and resid 87   and name HG1%)
 ASSI { 1079}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 109  and name HB  ))
      4.400     2.400     1.600 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.64281E-03 ppm1      7.617 ppm2      3.711 CV     1
 OR { 1079}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 95   and name HA  ))
 ASSI { 1081}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 107  and name HB3 ))
      2.900     1.100     1.100 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.22291E-02 ppm1      7.617 ppm2      2.932 CV     1
 OR { 1081}
   (( segid "A   " and resid 108  and name HN  ))
   (( segid "A   " and resid 108  and name HE3 ))
 ASSI { 1093}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 11   and name HN  ))
      3.300     1.400     1.400 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.17513E-02 ppm1      8.006 ppm2      8.406 CV     1
 OR { 1093}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
 ASSI { 1118}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 17   and name HB% )
      4.400     2.400     1.600 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.59870E-03 ppm1      8.417 ppm2      1.417 CV     1
 OR { 1118}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 18   and name HB% )
 OR { 1118}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 16   and name HG2 ))
 ASSI { 1121}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 17   and name HN  ))
      3.500     1.500     1.500 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.12667E-02 ppm1      8.417 ppm2      7.930 CV     1
 OR { 1121}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 18   and name HN  ))
 ASSI { 1124}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      4.400     2.500     1.600 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.43686E-03 ppm1      8.417 ppm2      4.122 CV     1
 OR { 1124}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 18   and name HA  ))
 ASSI { 1137}
   (( segid "A   " and resid 60   and name HN  ))
   (  segid "A   " and resid 34   and name HD2%)
      4.500     2.500     1.500 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.51021E-03 ppm1      8.569 ppm2      0.768 CV     1
 OR { 1137}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 57   and name HB3 ))
 ASSI { 1140}
   (( segid "A   " and resid 60   and name HN  ))
   (  segid "A   " and resid 31   and name HE% )
      4.400     2.400     1.600 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.51213E-03 ppm1      8.569 ppm2      6.870 CV     1
 OR { 1140}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 59   and name HN  ))
 ASSI { 1151}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 102  and name HB2 ))
      2.300     0.600     0.600 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.64546E-02 ppm1      8.179 ppm2      0.768 CV     1
 OR { 1151}
   (( segid "A   " and resid 103  and name HN  ))
   (  segid "A   " and resid 110  and name HD1%)
 OR { 1151}
   (( segid "A   " and resid 103  and name HN  ))
   (  segid "A   " and resid 110  and name HG2%)
 ASSI { 1155}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 101  and name HN  ))
      3.700     1.700     1.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.11338E-02 ppm1      8.179 ppm2      7.822 CV     1
 OR { 1155}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 106  and name HN  ))
 ASSI { 1158}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 100  and name HA  ))
      3.400     1.500     1.500 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.16134E-02 ppm1      8.179 ppm2      4.078 CV     1
 OR { 1158}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 101  and name HA  ))
 ASSI { 1162}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 107  and name HB2 ))
      4.300     2.300     1.700 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.44525E-03 ppm1      8.179 ppm2      2.672 CV     1
 OR { 1162}
   (( segid "A   " and resid 103  and name HN  ))
   (( segid "A   " and resid 104  and name HB3 ))
 ASSI { 1164}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 74   and name HB3 ))
      2.300     0.700     0.700 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.65624E-02 ppm1      7.736 ppm2      1.655 CV     1
 OR { 1164}
   (( segid "A   " and resid 74   and name HN  ))
   (  segid "A   " and resid 75   and name HB% )
 ASSI { 1190}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 125  and name HA  ))
      2.600     0.900     0.900 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.52483E-02 ppm1      7.335 ppm2      3.862 CV     1
 OR { 1190}
   (( segid "A   " and resid 125  and name HN  ))
   (( segid "A   " and resid 124  and name HA2 ))
 ASSI { 1216}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 128  and name HG  ))
      4.600     2.700     1.400 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.72147E-03 ppm1      8.017 ppm2      1.179 CV     1
 OR { 1216}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HG3 ))
 ASSI { 1219}
   (( segid "A   " and resid 58   and name HN  ))
   (  segid "A   " and resid 59   and name HG2%)
      4.400     2.500     1.600 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.92668E-03 ppm1      8.017 ppm2      0.681 CV     1
 OR { 1219}
   (( segid "A   " and resid 58   and name HN  ))
   (  segid "A   " and resid 128  and name HD2%)
 ASSI { 1227}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 59   and name HN  ))
      3.700     1.700     1.700 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.86243E-03 ppm1      8.028 ppm2      6.870 CV     1
 OR { 1227}
   (( segid "A   " and resid 58   and name HN  ))
   (  segid "A   " and resid 31   and name HE% )
 ASSI { 1244}
   (( segid "A   " and resid 89   and name HN  ))
   (  segid "A   " and resid 24   and name HE% )
      4.400     2.400     1.600 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.70538E-03 ppm1      7.205 ppm2      1.806 CV     1
 OR { 1244}
   (( segid "A   " and resid 89   and name HN  ))
   (( segid "A   " and resid 119  and name HB2 ))
 OR { 1244}
   (( segid "A   " and resid 89   and name HN  ))
   (( segid "A   " and resid 114  and name HB2 ))
 ASSI { 1254}
   (( segid "A   " and resid 122  and name HN  ))
   (( segid "A   " and resid 121  and name HG  ))
      4.000     2.000     2.000 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.13508E-02 ppm1      7.833 ppm2      1.806 CV     1
 OR { 1254}
   (( segid "A   " and resid 122  and name HN  ))
   (( segid "A   " and resid 119  and name HB2 ))
 ASSI { 1261}
   (( segid "A   " and resid 122  and name HN  ))
   (( segid "A   " and resid 119  and name HA  ))
      2.800     1.000     1.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.44404E-02 ppm1      7.844 ppm2      4.295 CV     1
 OR { 1261}
   (( segid "A   " and resid 122  and name HN  ))
   (( segid "A   " and resid 121  and name HA  ))
 ASSI { 1266}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 41   and name HG2%)
      3.100     1.200     1.200 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.49321E-02 ppm1      7.141 ppm2      0.789 CV     1
 OR { 1266}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 85   and name HG2%)
 OR { 1266}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 40   and name HD1%)
 ASSI { 1272}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 42   and name HN  ))
      4.400     2.500     1.600 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.48121E-03 ppm1      7.151 ppm2      8.493 CV     1
 OR { 1272}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 39   and name HN  ))
 ASSI { 1282}
   (( segid "A   " and resid 50   and name HN  ))
   (  segid "A   " and resid 53   and name HB% )
      4.700     2.800     1.300 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.66247E-03 ppm1      7.444 ppm2      1.482 CV     1
 OR { 1282}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 51   and name HB3 ))
 ASSI { 1285}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.29779E-02 ppm1      7.444 ppm2      4.122 CV     1
 OR { 1285}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 48   and name HA  ))
 ASSI { 1286}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 47   and name HB2 ))
      3.200     1.300     1.300 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.12585E-02 ppm1      7.444 ppm2      2.737 CV     1
 OR { 1286}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HB3 ))
 OR { 1286}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "B   " and resid 49   and name HB3 ))
 ASSI { 1287}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.13882E-02 ppm1      7.444 ppm2      2.607 CV     1
 OR { 1287}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "B   " and resid 49   and name HB2 ))
 ASSI { 1299}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 117  and name HA  ))
      2.900     1.100     1.100 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.25391E-02 ppm1      8.504 ppm2      4.317 CV     1
 OR { 1299}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 119  and name HA  ))
 ASSI { 1303}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 122  and name HB2 ))
      4.200     2.200     1.800 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.70850E-03 ppm1      8.515 ppm2      2.261 CV     1
 OR { 1303}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 122  and name HB3 ))
 OR { 1303}
   (( segid "A   " and resid 120  and name HN  ))
   (( segid "A   " and resid 125  and name HB2 ))
 ASSI { 1306}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 114  and name HB3 ))
      4.500     2.500     1.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.60349E-03 ppm1      8.926 ppm2      2.001 CV     1
 OR { 1306}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 22   and name HB3 ))
 ASSI { 1307}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 25   and name HB3 ))
      2.900     1.100     1.100 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.44620E-02 ppm1      8.926 ppm2      1.828 CV     1
 OR { 1307}
   (( segid "A   " and resid 25   and name HN  ))
   (  segid "A   " and resid 24   and name HE% )
 ASSI { 1315}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 112  and name HB2 ))
      4.800     2.900     1.200 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.49968E-03 ppm1      8.926 ppm2      2.650 CV     1
 OR { 1315}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 24   and name HG2 ))
 ASSI { 1316}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 111  and name HB2 ))
      4.700     2.700     1.300 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.62315E-03 ppm1      8.937 ppm2      2.910 CV     1
 OR { 1316}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 24   and name HG3 ))
 ASSI { 1317}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 12   and name HB2 ))
      4.500     2.500     1.500 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.85117E-03 ppm1      8.417 ppm2      1.720 CV     1
 OR { 1317}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 15   and name HB  ))
 ASSI { 1318}
   (( segid "A   " and resid 11   and name HN  ))
   (  segid "A   " and resid 9    and name HB% )
      4.200     2.200     1.800 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.98880E-03 ppm1      8.417 ppm2      1.611 CV     1
 OR { 1318}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 12   and name HD3 ))
 ASSI { 1325}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 8    and name HB3 ))
      5.000     3.200     1.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.28940E-03 ppm1      8.417 ppm2      2.867 CV     1
 OR { 1325}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 1325}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 14   and name HG3 ))
 ASSI { 1334}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 63   and name HG3 ))
      3.600     1.700     1.700 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.24672E-02 ppm1      8.634 ppm2      1.309 CV     1
 OR { 1334}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 43   and name HG13))
 ASSI { 1344}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 63   and name HG2 ))
      4.500     2.500     1.500 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.91038E-03 ppm1      8.645 ppm2      1.179 CV     1
 OR { 1344}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 56   and name HD3 ))
 ASSI { 1362}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 63   and name HN  ))
      3.900     1.900     1.900 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.10418E-02 ppm1      7.974 ppm2      8.471 CV     1
 OR { 1362}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 42   and name HN  ))
 ASSI { 1368}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 63   and name HA  ))
      4.200     2.300     1.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.48674E-03 ppm1      7.985 ppm2      4.230 CV     1
 OR { 1368}
   (( segid "A   " and resid 62   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
 ASSI { 1374}
   (( segid "A   " and resid 30   and name HN  ))
   (  segid "A   " and resid 25   and name HD2%)
      4.000     2.000     2.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.86219E-03 ppm1      9.067 ppm2      0.941 CV     1
 OR { 1374}
   (( segid "A   " and resid 30   and name HN  ))
   (  segid "A   " and resid 34   and name HD1%)
 ASSI { 1375}
   (( segid "A   " and resid 30   and name HN  ))
   (  segid "A   " and resid 25   and name HD1%)
      3.400     1.400     1.400 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.15052E-02 ppm1      9.067 ppm2      0.573 CV     1
 OR { 1375}
   (( segid "A   " and resid 30   and name HN  ))
   (  segid "A   " and resid 33   and name HD1%)
 ASSI { 1382}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 26   and name HB2 ))
      4.800     2.800     1.200 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.33711E-03 ppm1      9.067 ppm2      4.100 CV     1
 OR { 1382}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
 ASSI { 1393}
   (( segid "A   " and resid 24   and name HN  ))
   (  segid "A   " and resid 24   and name HE% )
      4.000     2.000     2.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.26686E-02 ppm1      8.861 ppm2      1.828 CV     1
 OR { 1393}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 19   and name HB2 ))
 OR { 1393}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 114  and name HB2 ))
 ASSI { 1421}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 84   and name HB2 ))
      4.500     2.500     1.500 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.78450E-03 ppm1      8.082 ppm2      1.914 CV     1
 OR { 1421}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 22   and name HB2 ))
 OR { 1421}
   (( segid "A   " and resid 110  and name HN  ))
   (( segid "A   " and resid 103  and name HG3 ))
 ASSI { 1423}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 110  and name HB  ))
      4.900     3.000     1.100 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.58310E-03 ppm1      9.088 ppm2      1.655 CV     1
 OR { 1423}
   (( segid "A   " and resid 111  and name HN  ))
   (( segid "A   " and resid 25   and name HG  ))
 ASSI { 1424}
   (( segid "A   " and resid 111  and name HN  ))
   (  segid "A   " and resid 110  and name HG2%)
      2.900     1.100     1.100 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.67037E-02 ppm1      9.088 ppm2      0.789 CV     1
 OR { 1424}
   (( segid "A   " and resid 111  and name HN  ))
   (  segid "A   " and resid 110  and name HD1%)
 OR { 1424}
   (( segid "A   " and resid 111  and name HN  ))
   (  segid "A   " and resid 87   and name HG2%)
 OR { 1424}
   (( segid "A   " and resid 111  and name HN  ))
   (  segid "A   " and resid 86   and name HG1%)
 ASSI { 1430}
   (( segid "A   " and resid 111  and name HN  ))
   (  segid "A   " and resid 109  and name HG2%)
      4.800     2.900     1.200 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.41336E-03 ppm1      9.099 ppm2      1.049 CV     1
 OR { 1430}
   (( segid "A   " and resid 111  and name HN  ))
   (  segid "A   " and resid 23   and name HG1%)
 ASSI { 1449}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 87   and name HB  ))
      4.100     2.100     1.900 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.11825E-02 ppm1      9.164 ppm2      1.871 CV     1
 OR { 1449}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 86   and name HB  ))
 ASSI { 1456}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 86   and name HG1%)
      3.800     1.800     1.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.20867E-02 ppm1      9.175 ppm2      0.768 CV     1
 OR { 1456}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 34   and name HD2%)
 OR { 1456}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 87   and name HG2%)
 ASSI { 1476}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 63   and name HG3 ))
      2.500     0.800     0.800 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.35054E-02 ppm1      8.482 ppm2      1.309 CV     1
 OR { 1476}
   (( segid "A   " and resid 63   and name HN  ))
   (( segid "A   " and resid 43   and name HG13))
 ASSI { 1487}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HG  ))
      3.500     1.500     1.500 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.17937E-02 ppm1      8.482 ppm2      1.309 CV     1
 OR { 1487}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 63   and name HG3 ))
 OR { 1487}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 43   and name HG13))
 ASSI { 1489}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 59   and name HG2%)
      3.100     1.200     1.200 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.25559E-02 ppm1      8.482 ppm2      0.681 CV     1
 OR { 1489}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 40   and name HG2%)
 ASSI { 1491}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 62   and name HB2 ))
      3.600     1.600     1.600 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.14381E-02 ppm1      8.482 ppm2      2.758 CV     1
 OR { 1491}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 61   and name HB2 ))
 OR { 1491}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 62   and name HB3 ))
 ASSI { 1494}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HB2 ))
      2.900     1.100     1.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.22274E-02 ppm1      8.493 ppm2      1.503 CV     1
 OR { 1494}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 63   and name HD2 ))
 ASSI { 1505}
   (( segid "A   " and resid 120  and name HE1 ))
   (( segid "A   " and resid 58   and name HB2 ))
      4.500     2.600     1.500 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.68045E-03 ppm1      9.824 ppm2      1.785 CV     1
 OR { 1505}
   (( segid "A   " and resid 120  and name HE1 ))
   (( segid "A   " and resid 121  and name HG  ))
 ASSI { 1512}
   (( segid "A   " and resid 120  and name HE1 ))
   (( segid "A   " and resid 120  and name HH2 ))
      4.400     2.400     1.600 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.64641E-03 ppm1      9.824 ppm2      6.848 CV     1
 OR { 1512}
   (( segid "A   " and resid 120  and name HE1 ))
   (  segid "A   " and resid 31   and name HE% )
 ASSI { 1521}
   (( segid "A   " and resid 65   and name HN  ))
   (  segid "A   " and resid 73   and name HD1%)
      4.200     2.200     1.800 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.64879E-03 ppm1      7.985 ppm2      0.659 CV     1
 OR { 1521}
   (( segid "A   " and resid 65   and name HN  ))
   (  segid "A   " and resid 70   and name HD2%)
 ASSI { 1523}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 66   and name HN  ))
      4.000     2.000     2.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.98712E-03 ppm1      7.985 ppm2      7.649 CV     1
 OR { 1523}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 46   and name HN  ))
 ASSI { 1527}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 64   and name HB2 ))
      3.700     1.700     1.700 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.16237E-02 ppm1      7.985 ppm2      2.953 CV     1
 OR { 1527}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 44   and name HB3 ))
 ASSI {   36}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 81   and name HB3 ))
      4.500     2.500     1.500 peak    36 spectrum    1 weight  0.10000E+01 volume  0.40402E-03 ppm1      7.811 ppm2      1.720 CV     1
 OR {   36}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 103  and name HG2 ))
 ASSI {   42}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 106  and name HA2 ))
      2.600     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.65743E-02 ppm1      7.811 ppm2      4.360 CV     1
 OR {   42}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 105  and name HA  ))
 ASSI {   46}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 103  and name HB3 ))
      4.900     3.000     1.100 peak    46 spectrum    1 weight  0.10000E+01 volume  0.45795E-03 ppm1      7.822 ppm2      2.109 CV     1
 OR {   46}
   (( segid "B   " and resid 106  and name HN  ))
   (( segid "B   " and resid 104  and name HB2 ))
 ASSI {   56}
   (( segid "B   " and resid 68   and name HN  ))
   (( segid "B   " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.14170E-02 ppm1      8.731 ppm2      3.754 CV     1
 OR {   56}
   (( segid "B   " and resid 68   and name HN  ))
   (( segid "B   " and resid 66   and name HA  ))
 ASSI {   73}
   (( segid "B   " and resid 55   and name HN  ))
   (  segid "B   " and resid 53   and name HB% )
      4.000     2.000     2.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.16513E-02 ppm1      7.541 ppm2      1.482 CV     1
 OR {   73}
   (( segid "B   " and resid 55   and name HN  ))
   (( segid "B   " and resid 51   and name HB3 ))
 ASSI {   78}
   (( segid "B   " and resid 99   and name HN  ))
   (( segid "B   " and resid 100  and name HB2 ))
      4.800     2.900     1.200 peak    78 spectrum    1 weight  0.10000E+01 volume  0.99911E-03 ppm1      8.850 ppm2      1.914 CV     1
 OR {   78}
   (( segid "B   " and resid 99   and name HN  ))
   (( segid "B   " and resid 22   and name HB2 ))
 ASSI {   80}
   (( segid "B   " and resid 99   and name HN  ))
   (  segid "B   " and resid 87   and name HG2%)
      2.900     1.000     1.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.41983E-02 ppm1      8.850 ppm2      0.789 CV     1
 OR {   80}
   (( segid "B   " and resid 99   and name HN  ))
   (  segid "B   " and resid 110  and name HD1%)
 ASSI {   86}
   (( segid "B   " and resid 114  and name HN  ))
   (  segid "B   " and resid 30   and name HB% )
      3.600     1.600     1.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      9.965 ppm2      1.633 CV     1
 OR {   86}
   (( segid "B   " and resid 114  and name HN  ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {   86}
   (( segid "B   " and resid 114  and name HN  ))
   (( segid "B   " and resid 119  and name HD2 ))
 ASSI {   87}
   (( segid "B   " and resid 114  and name HN  ))
   (( segid "B   " and resid 114  and name HG3 ))
      4.300     2.400     1.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.86676E-03 ppm1      9.975 ppm2      2.217 CV     1
 OR {   87}
   (( segid "B   " and resid 114  and name HN  ))
   (( segid "B   " and resid 24   and name HB3 ))
 OR {   87}
   (( segid "B   " and resid 114  and name HN  ))
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI {   89}
   (( segid "B   " and resid 114  and name HN  ))
   (( segid "B   " and resid 114  and name HB2 ))
      2.600     0.900     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.36852E-02 ppm1      9.975 ppm2      1.806 CV     1
 OR {   89}
   (( segid "B   " and resid 114  and name HN  ))
   (  segid "B   " and resid 24   and name HE% )
 ASSI {   94}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 122  and name HB3 ))
      3.700     1.700     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.19891E-02 ppm1      7.779 ppm2      2.261 CV     1
 OR {   94}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 125  and name HB2 ))
 OR {   94}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 122  and name HB2 ))
 OR {   94}
   (( segid "B   " and resid 124  and name HN  ))
   (( segid "B   " and resid 125  and name HB3 ))
 ASSI {  115}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 40   and name HA  ))
      4.400     2.400     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.55865E-03 ppm1      7.779 ppm2      4.295 CV     1
 OR {  115}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 109  and name HA  ))
 OR {  115}
   (( segid "B   " and resid 85   and name HN  ))
   (( segid "B   " and resid 108  and name HA  ))
 ASSI {  138}
   (( segid "B   " and resid 61   and name HD21))
   (( segid "B   " and resid 40   and name HB  ))
      4.200     2.200     1.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.37548E-03 ppm1      6.491 ppm2      1.828 CV     1
 OR {  138}
   (( segid "B   " and resid 61   and name HD21))
   (( segid "B   " and resid 60   and name HB3 ))
 OR {  138}
   (( segid "B   " and resid 61   and name HD21))
   (( segid "B   " and resid 60   and name HB2 ))
 ASSI {  139}
   (( segid "B   " and resid 61   and name HD21))
   (  segid "B   " and resid 41   and name HG2%)
      3.800     1.800     1.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.80993E-03 ppm1      6.491 ppm2      0.789 CV     1
 OR {  139}
   (( segid "B   " and resid 61   and name HD21))
   (  segid "B   " and resid 34   and name HD2%)
 ASSI {  140}
   (( segid "B   " and resid 61   and name HD21))
   (  segid "B   " and resid 59   and name HG2%)
      4.200     2.200     1.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.37236E-03 ppm1      6.491 ppm2      0.681 CV     1
 OR {  140}
   (( segid "B   " and resid 61   and name HD21))
   (  segid "B   " and resid 40   and name HG2%)
 ASSI {  148}
   (( segid "B   " and resid 61   and name HD22))
   (( segid "B   " and resid 60   and name HB3 ))
      3.800     1.800     1.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.38866E-03 ppm1      7.238 ppm2      1.828 CV     1
 OR {  148}
   (( segid "B   " and resid 61   and name HD22))
   (( segid "B   " and resid 60   and name HB2 ))
 OR {  148}
   (( segid "B   " and resid 61   and name HD22))
   (( segid "B   " and resid 40   and name HB  ))
 ASSI {  149}
   (( segid "B   " and resid 61   and name HD22))
   (  segid "B   " and resid 34   and name HD2%)
      4.300     2.300     1.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.85452E-03 ppm1      7.238 ppm2      0.789 CV     1
 OR {  149}
   (( segid "B   " and resid 61   and name HD22))
   (  segid "B   " and resid 41   and name HG2%)
 ASSI {  169}
   (( segid "B   " and resid 54   and name HN  ))
   (( segid "B   " and resid 52   and name HB3 ))
      4.100     2.100     1.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.66271E-03 ppm1      8.320 ppm2      1.806 CV     1
 OR {  169}
   (( segid "B   " and resid 54   and name HN  ))
   (( segid "B   " and resid 121  and name HG  ))
 ASSI {  170}
   (( segid "B   " and resid 71   and name HN  ))
   (( segid "B   " and resid 70   and name HB3 ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.29492E-02 ppm1     10.213 ppm2      1.655 CV     1
 OR {  170}
   (( segid "B   " and resid 71   and name HN  ))
   (( segid "B   " and resid 74   and name HB3 ))
 ASSI {  173}
   (( segid "B   " and resid 71   and name HN  ))
   (( segid "B   " and resid 65   and name HB3 ))
      4.100     2.100     1.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.15117E-02 ppm1     10.224 ppm2      1.525 CV     1
 OR {  173}
   (( segid "B   " and resid 71   and name HN  ))
   (( segid "B   " and resid 74   and name HG  ))
 ASSI {  185}
   (( segid "B   " and resid 14   and name HE22))
   (( segid "B   " and resid 14   and name HG2 ))
      3.700     1.700     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.25055E-02 ppm1      7.671 ppm2      2.304 CV     1
 OR {  185}
   (( segid "B   " and resid 14   and name HE22))
   (( segid "A   " and resid 104  and name HG2 ))
 ASSI {  203}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HE3 ))
      5.000     3.200     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.92885E-03 ppm1      8.266 ppm2      2.932 CV     1
 OR {  203}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 29   and name HB3 ))
 OR {  203}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HE2 ))
 ASSI {  211}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 128  and name HG  ))
      4.200     2.200     1.800 peak   211 spectrum    1 weight  0.10000E+01 volume  0.11607E-02 ppm1      6.881 ppm2      1.157 CV     1
 OR {  211}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 57   and name HG3 ))
 ASSI {  214}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 58   and name HN  ))
      3.600     1.700     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1      6.881 ppm2      7.995 CV     1
 OR {  214}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 62   and name HN  ))
 ASSI {  217}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 57   and name HA  ))
      3.900     1.900     1.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.75190E-03 ppm1      6.881 ppm2      4.035 CV     1
 OR {  217}
   (( segid "B   " and resid 59   and name HN  ))
   (( segid "B   " and resid 60   and name HA  ))
 ASSI {  232}
   (( segid "B   " and resid 76   and name HN  ))
   (( segid "B   " and resid 76   and name HB2 ))
      2.200     0.600     0.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.10749E-01 ppm1      7.498 ppm2      1.655 CV     1
 OR {  232}
   (( segid "B   " and resid 76   and name HN  ))
   (  segid "B   " and resid 75   and name HB% )
 ASSI {  244}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 58   and name HB2 ))
      4.000     2.000     2.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.11257E-02 ppm1      8.331 ppm2      1.785 CV     1
 OR {  244}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 121  and name HG  ))
 ASSI {  245}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 128  and name HB2 ))
      3.200     1.300     1.300 peak   245 spectrum    1 weight  0.10000E+01 volume  0.27142E-02 ppm1      8.331 ppm2      1.309 CV     1
 OR {  245}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 56   and name HB3 ))
 OR {  245}
   (( segid "B   " and resid 56   and name HN  ))
   (( segid "B   " and resid 51   and name HG  ))
 ASSI {  256}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 36   and name HB3 ))
      3.100     1.200     1.200 peak   256 spectrum    1 weight  0.10000E+01 volume  0.74159E-02 ppm1      7.844 ppm2      2.023 CV     1
 OR {  256}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 35   and name HB3 ))
 ASSI {  262}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.36971E-02 ppm1      7.844 ppm2      3.862 CV     1
 OR {  262}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 35   and name HA  ))
 ASSI {  274}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 124  and name HA2 ))
      4.500     2.500     1.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.93749E-03 ppm1      8.168 ppm2      3.840 CV     1
 OR {  274}
   (( segid "B   " and resid 123  and name HN  ))
   (( segid "B   " and resid 125  and name HA  ))
 ASSI {  285}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 47   and name HB2 ))
      3.100     1.200     1.200 peak   285 spectrum    1 weight  0.10000E+01 volume  0.40927E-02 ppm1      8.969 ppm2      2.737 CV     1
 OR {  285}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 49   and name HB3 ))
 OR {  285}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HB3 ))
 ASSI {  306}
   (( segid "B   " and resid 45   and name HN  ))
   (( segid "B   " and resid 45   and name HB  ))
      4.200     2.200     1.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.71161E-03 ppm1      8.742 ppm2      2.304 CV     1
 OR {  306}
   (( segid "B   " and resid 45   and name HN  ))
   (( segid "B   " and resid 44   and name HB2 ))
 ASSI {  317}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 48   and name HA  ))
      3.600     1.600     1.600 peak   317 spectrum    1 weight  0.10000E+01 volume  0.11475E-02 ppm1      8.969 ppm2      4.122 CV     1
 OR {  317}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
 OR {  317}
   (( segid "B   " and resid 49   and name HN  ))
   (( segid "B   " and resid 50   and name HA  ))
 ASSI {  339}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.54211E-02 ppm1      7.606 ppm2      1.655 CV     1
 OR {  339}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 72   and name HB3 ))
 OR {  339}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 74   and name HB3 ))
 ASSI {  340}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 65   and name HB3 ))
      3.800     1.800     1.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.16529E-02 ppm1      7.606 ppm2      1.525 CV     1
 OR {  340}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 74   and name HG  ))
 ASSI {  349}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 70   and name HA  ))
      3.000     1.100     1.100 peak   349 spectrum    1 weight  0.10000E+01 volume  0.19236E-02 ppm1      7.606 ppm2      3.278 CV     1
 OR {  349}
   (( segid "B   " and resid 73   and name HN  ))
   (( segid "B   " and resid 72   and name HA  ))
 ASSI {  361}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 21   and name HB2 ))
      3.000     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.67327E-02 ppm1      7.260 ppm2      2.520 CV     1
 OR {  361}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 22   and name HG2 ))
 ASSI {  363}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 76   and name HB2 ))
      2.800     1.000     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.25655E-02 ppm1      7.876 ppm2      1.655 CV     1
 OR {  363}
   (( segid "B   " and resid 77   and name HN  ))
   (  segid "B   " and resid 75   and name HB% )
 ASSI {  365}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 76   and name HG2 ))
      4.000     2.000     2.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.13854E-02 ppm1      7.876 ppm2      1.395 CV     1
 OR {  365}
   (( segid "B   " and resid 77   and name HN  ))
   (( segid "B   " and resid 79   and name HG  ))
 ASSI {  381}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 40   and name HG13))
      4.100     2.100     1.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.12676E-02 ppm1      7.433 ppm2      1.741 CV     1
 OR {  381}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 33   and name HB3 ))
 ASSI {  383}
   (( segid "B   " and resid 37   and name HN  ))
   (  segid "B   " and resid 40   and name HD1%)
      3.700     1.700     1.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.17879E-02 ppm1      7.433 ppm2      0.768 CV     1
 OR {  383}
   (( segid "B   " and resid 37   and name HN  ))
   (  segid "B   " and resid 34   and name HD2%)
 ASSI {  391}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.41910E-02 ppm1      7.433 ppm2      3.862 CV     1
 OR {  391}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 38   and name HD3 ))
 OR {  391}
   (( segid "B   " and resid 37   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 ASSI {  407}
   (( segid "B   " and resid 22   and name HN  ))
   (  segid "B   " and resid 18   and name HB% )
      4.200     2.200     1.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.56992E-03 ppm1      7.682 ppm2      1.395 CV     1
 OR {  407}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 100  and name HG2 ))
 ASSI {  415}
   (( segid "B   " and resid 22   and name HN  ))
   (  segid "B   " and resid 23   and name HG2%)
      4.200     2.200     1.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.93605E-03 ppm1      7.692 ppm2      0.811 CV     1
 OR {  415}
   (( segid "B   " and resid 22   and name HN  ))
   (  segid "B   " and resid 110  and name HG2%)
 ASSI {  425}
   (( segid "B   " and resid 115  and name HN  ))
   (( segid "B   " and resid 114  and name HB3 ))
      3.900     1.900     1.900 peak   425 spectrum    1 weight  0.10000E+01 volume  0.76460E-03 ppm1      8.536 ppm2      1.979 CV     1
 OR {  425}
   (( segid "B   " and resid 115  and name HN  ))
   (( segid "B   " and resid 119  and name HB3 ))
 ASSI {  427}
   (( segid "B   " and resid 115  and name HN  ))
   (( segid "B   " and resid 27   and name HG3 ))
      4.300     2.300     1.700 peak   427 spectrum    1 weight  0.10000E+01 volume  0.66127E-03 ppm1      8.547 ppm2      2.239 CV     1
 OR {  427}
   (( segid "B   " and resid 115  and name HN  ))
   (( segid "B   " and resid 114  and name HG3 ))
 ASSI {  429}
   (( segid "B   " and resid 115  and name HN  ))
   (( segid "B   " and resid 114  and name HB2 ))
      3.100     1.200     1.200 peak   429 spectrum    1 weight  0.10000E+01 volume  0.49342E-02 ppm1      8.547 ppm2      1.806 CV     1
 OR {  429}
   (( segid "B   " and resid 115  and name HN  ))
   (  segid "B   " and resid 24   and name HE% )
 ASSI {  430}
   (( segid "B   " and resid 115  and name HN  ))
   (( segid "B   " and resid 119  and name HD2 ))
      4.700     2.700     1.300 peak   430 spectrum    1 weight  0.10000E+01 volume  0.82720E-03 ppm1      8.547 ppm2      1.655 CV     1
 OR {  430}
   (( segid "B   " and resid 115  and name HN  ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  437}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 35   and name HG2 ))
      2.300     0.600     0.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.12216E-01 ppm1      8.039 ppm2      1.871 CV     1
 OR {  437}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HB3 ))
 OR {  437}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 35   and name HB2 ))
 ASSI {  439}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 33   and name HB2 ))
      5.000     3.100     1.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.26206E-03 ppm1      8.039 ppm2      1.438 CV     1
 OR {  439}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 32   and name HG3 ))
 OR {  439}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 60   and name HG2 ))
 ASSI {  441}
   (( segid "B   " and resid 35   and name HN  ))
   (  segid "B   " and resid 34   and name HD2%)
      4.500     2.600     1.500 peak   441 spectrum    1 weight  0.10000E+01 volume  0.69989E-03 ppm1      8.039 ppm2      0.768 CV     1
 OR {  441}
   (( segid "B   " and resid 35   and name HN  ))
   (  segid "B   " and resid 40   and name HD1%)
 ASSI {  446}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 35   and name HA  ))
      2.400     0.700     0.700 peak   446 spectrum    1 weight  0.10000E+01 volume  0.63945E-02 ppm1      8.039 ppm2      3.862 CV     1
 OR {  446}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 ASSI {  450}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 51   and name HB3 ))
      3.000     1.100     1.100 peak   450 spectrum    1 weight  0.10000E+01 volume  0.57135E-02 ppm1      6.913 ppm2      1.482 CV     1
 OR {  450}
   (( segid "B   " and resid 52   and name HN  ))
   (  segid "B   " and resid 53   and name HB% )
 OR {  450}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 52   and name HG3 ))
 ASSI {  455}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 50   and name HA  ))
      3.500     1.500     1.500 peak   455 spectrum    1 weight  0.10000E+01 volume  0.12633E-02 ppm1      6.913 ppm2      4.143 CV     1
 OR {  455}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 48   and name HA  ))
 ASSI {  458}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "B   " and resid 49   and name HB2 ))
      4.300     2.300     1.700 peak   458 spectrum    1 weight  0.10000E+01 volume  0.48192E-03 ppm1      6.913 ppm2      2.607 CV     1
 OR {  458}
   (( segid "B   " and resid 52   and name HN  ))
   (( segid "A   " and resid 49   and name HB2 ))
 ASSI {  463}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 21   and name HB3 ))
      4.700     2.700     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.57736E-03 ppm1      7.119 ppm2      2.910 CV     1
 OR {  463}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 24   and name HG3 ))
 ASSI {  470}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 18   and name HN  ))
      3.500     1.600     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.12844E-02 ppm1      7.130 ppm2      7.930 CV     1
 OR {  470}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 17   and name HN  ))
 ASSI {  475}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.38531E-02 ppm1      7.130 ppm2      4.100 CV     1
 OR {  475}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 18   and name HA  ))
 ASSI {  477}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 22   and name HG2 ))
      4.300     2.300     1.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.77611E-03 ppm1      7.130 ppm2      2.520 CV     1
 OR {  477}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 21   and name HB2 ))
 ASSI {  492}
   (( segid "B   " and resid 66   and name HN  ))
   (( segid "B   " and resid 73   and name HB3 ))
      3.500     1.500     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.13134E-02 ppm1      7.649 ppm2      1.828 CV     1
 OR {  492}
   (( segid "B   " and resid 66   and name HN  ))
   (( segid "B   " and resid 65   and name HG2 ))
 ASSI {  495}
   (( segid "B   " and resid 66   and name HN  ))
   (  segid "B   " and resid 73   and name HD1%)
      3.700     1.700     1.700 peak   495 spectrum    1 weight  0.10000E+01 volume  0.28244E-02 ppm1      7.649 ppm2      0.659 CV     1
 OR {  495}
   (( segid "B   " and resid 66   and name HN  ))
   (  segid "B   " and resid 70   and name HD2%)
 ASSI {  499}
   (( segid "B   " and resid 66   and name HN  ))
   (( segid "B   " and resid 65   and name HA  ))
      2.000     0.500     0.500 peak   499 spectrum    1 weight  0.10000E+01 volume  0.15647E-01 ppm1      7.649 ppm2      3.776 CV     1
 OR {  499}
   (( segid "B   " and resid 66   and name HN  ))
   (( segid "B   " and resid 66   and name HA  ))
 ASSI {  504}
   (( segid "B   " and resid 82   and name HN  ))
   (  segid "A   " and resid 7    and name HE% )
      4.300     2.400     1.700 peak   504 spectrum    1 weight  0.10000E+01 volume  0.47019E-03 ppm1      8.309 ppm2      7.563 CV     1
 OR {  504}
   (( segid "B   " and resid 82   and name HN  ))
   (  segid "B   " and resid 107  and name HD% )
 ASSI {  516}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.47712E-02 ppm1      8.320 ppm2      4.122 CV     1
 OR {  516}
   (( segid "B   " and resid 82   and name HN  ))
   (( segid "B   " and resid 81   and name HD3 ))
 ASSI {  524}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HB3 ))
      3.200     1.300     1.300 peak   524 spectrum    1 weight  0.10000E+01 volume  0.48768E-02 ppm1      7.985 ppm2      1.871 CV     1
 OR {  524}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 40   and name HB  ))
 OR {  524}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 32   and name HB3 ))
 ASSI {  525}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HG  ))
      2.400     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.63682E-02 ppm1      7.985 ppm2      1.741 CV     1
 OR {  525}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 33   and name HB3 ))
 ASSI {  530}
   (( segid "B   " and resid 34   and name HN  ))
   (  segid "B   " and resid 34   and name HD2%)
      3.700     1.700     1.700 peak   530 spectrum    1 weight  0.10000E+01 volume  0.23137E-02 ppm1      7.985 ppm2      0.768 CV     1
 OR {  530}
   (( segid "B   " and resid 34   and name HN  ))
   (  segid "B   " and resid 40   and name HD1%)
 ASSI {  535}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
      2.600     0.900     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.35103E-02 ppm1      7.985 ppm2      3.862 CV     1
 OR {  535}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 ASSI {  557}
   (( segid "B   " and resid 10   and name HN  ))
   (  segid "A   " and resid 105  and name HD% )
      3.900     1.900     1.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.11825E-02 ppm1      8.396 ppm2      7.454 CV     1
 OR {  557}
   (( segid "B   " and resid 10   and name HN  ))
   (  segid "B   " and resid 7    and name HD% )
 ASSI {  565}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 9    and name HA  ))
      3.000     1.200     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.23547E-02 ppm1      8.785 ppm2      4.122 CV     1
 OR {  565}
   (( segid "B   " and resid 12   and name HN  ))
   (( segid "B   " and resid 13   and name HA  ))
 ASSI {  581}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 120  and name HH2 ))
      4.700     2.700     1.300 peak   581 spectrum    1 weight  0.10000E+01 volume  0.61189E-03 ppm1      7.692 ppm2      6.848 CV     1
 OR {  581}
   (( segid "B   " and resid 32   and name HN  ))
   (  segid "B   " and resid 31   and name HE% )
 ASSI {  634}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 23   and name HN  ))
      4.200     2.200     1.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.62770E-03 ppm1      8.818 ppm2      7.671 CV     1
 OR {  634}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 100  and name HN  ))
 ASSI {  637}
   (( segid "B   " and resid 109  and name HN  ))
   (  segid "B   " and resid 85   and name HG2%)
      3.900     1.900     1.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.13343E-02 ppm1      9.131 ppm2      0.768 CV     1
 OR {  637}
   (( segid "B   " and resid 109  and name HN  ))
   (  segid "B   " and resid 110  and name HG2%)
 OR {  637}
   (( segid "B   " and resid 109  and name HN  ))
   (  segid "B   " and resid 40   and name HD1%)
 ASSI {  639}
   (( segid "B   " and resid 109  and name HN  ))
   (( segid "B   " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak   639 spectrum    1 weight  0.10000E+01 volume  0.35582E-02 ppm1      9.131 ppm2      4.295 CV     1
 OR {  639}
   (( segid "B   " and resid 109  and name HN  ))
   (( segid "B   " and resid 108  and name HA  ))
 ASSI {  657}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 105  and name HA  ))
      2.900     1.100     1.100 peak   657 spectrum    1 weight  0.10000E+01 volume  0.30570E-02 ppm1      8.114 ppm2      4.338 CV     1
 OR {  657}
   (( segid "B   " and resid 105  and name HN  ))
   (( segid "B   " and resid 106  and name HA2 ))
 ASSI {  669}
   (( segid "B   " and resid 112  and name HN  ))
   (  segid "B   " and resid 24   and name HE% )
      3.700     1.700     1.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.21327E-02 ppm1      8.818 ppm2      1.828 CV     1
 OR {  669}
   (( segid "B   " and resid 112  and name HN  ))
   (( segid "B   " and resid 25   and name HB3 ))
 ASSI {  691}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 116  and name HA2 ))
      3.800     1.800     1.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.48674E-03 ppm1      9.088 ppm2      3.429 CV     1
 OR {  691}
   (( segid "B   " and resid 118  and name HN  ))
   (( segid "B   " and resid 120  and name HB2 ))
 ASSI {  705}
   (( segid "B   " and resid 101  and name HN  ))
   (( segid "B   " and resid 101  and name HA  ))
      2.400     0.700     0.700 peak   705 spectrum    1 weight  0.10000E+01 volume  0.74952E-02 ppm1      7.822 ppm2      4.078 CV     1
 OR {  705}
   (( segid "B   " and resid 101  and name HN  ))
   (( segid "B   " and resid 100  and name HA  ))
 ASSI {  727}
   (( segid "B   " and resid 102  and name HN  ))
   (( segid "B   " and resid 101  and name HA  ))
      3.300     1.300     1.300 peak   727 spectrum    1 weight  0.10000E+01 volume  0.12667E-02 ppm1      8.731 ppm2      4.078 CV     1
 OR {  727}
   (( segid "B   " and resid 102  and name HN  ))
   (( segid "B   " and resid 100  and name HA  ))
 ASSI {  730}
   (( segid "B   " and resid 102  and name HN  ))
   (( segid "B   " and resid 102  and name HB2 ))
      2.600     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.30259E-02 ppm1      8.742 ppm2      0.789 CV     1
 OR {  730}
   (( segid "B   " and resid 102  and name HN  ))
   (  segid "B   " and resid 110  and name HD1%)
 ASSI {  735}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 25   and name HB2 ))
      3.100     1.200     1.200 peak   735 spectrum    1 weight  0.10000E+01 volume  0.34477E-02 ppm1      9.272 ppm2      1.611 CV     1
 OR {  735}
   (( segid "B   " and resid 26   and name HN  ))
   (  segid "B   " and resid 30   and name HB% )
 ASSI {  774}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 61   and name HB2 ))
      2.900     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.44452E-02 ppm1      9.294 ppm2      2.758 CV     1
 OR {  774}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 62   and name HB3 ))
 OR {  774}
   (( segid "B   " and resid 61   and name HN  ))
   (( segid "B   " and resid 62   and name HB2 ))
 ASSI {  776}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 49   and name HA  ))
      3.900     1.900     1.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.74470E-03 ppm1      6.848 ppm2      4.295 CV     1
 OR {  776}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 55   and name HA2 ))
 ASSI {  787}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   787 spectrum    1 weight  0.10000E+01 volume  0.89985E-03 ppm1      6.859 ppm2      7.541 CV     1
 OR {  787}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 55   and name HN  ))
 ASSI {  790}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak   790 spectrum    1 weight  0.10000E+01 volume  0.22655E-02 ppm1      6.859 ppm2      4.122 CV     1
 OR {  790}
   (( segid "B   " and resid 51   and name HN  ))
   (( segid "B   " and resid 50   and name HA  ))
 ASSI {  792}
   (( segid "B   " and resid 79   and name HN  ))
   (( segid "B   " and resid 79   and name HG  ))
      2.300     0.600     0.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.12940E-01 ppm1      7.833 ppm2      1.395 CV     1
 OR {  792}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 16   and name HG2 ))
 OR {  792}
   (( segid "B   " and resid 16   and name HN  ))
   (  segid "B   " and resid 17   and name HB% )
 ASSI {  793}
   (( segid "B   " and resid 79   and name HN  ))
   (  segid "B   " and resid 79   and name HD1%)
      2.500     0.800     0.800 peak   793 spectrum    1 weight  0.10000E+01 volume  0.57257E-02 ppm1      7.833 ppm2      0.746 CV     1
 OR {  793}
   (( segid "B   " and resid 16   and name HN  ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  797}
   (( segid "B   " and resid 79   and name HN  ))
   (( segid "B   " and resid 80   and name HN  ))
      3.700     1.700     1.700 peak   797 spectrum    1 weight  0.10000E+01 volume  0.12281E-02 ppm1      7.833 ppm2      8.601 CV     1
 OR {  797}
   (( segid "B   " and resid 79   and name HN  ))
   (( segid "A   " and resid 4    and name HN  ))
 ASSI {  805}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 5    and name HG3 ))
      3.800     1.800     1.800 peak   805 spectrum    1 weight  0.10000E+01 volume  0.20831E-02 ppm1      8.201 ppm2      2.391 CV     1
 OR {  805}
   (( segid "B   " and resid 5    and name HN  ))
   (( segid "B   " and resid 3    and name HG3 ))
 ASSI {  820}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 122  and name HB2 ))
      4.000     2.000     2.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.10890E-02 ppm1      7.454 ppm2      2.239 CV     1
 OR {  820}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 122  and name HB3 ))
 OR {  820}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 27   and name HG3 ))
 ASSI {  826}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 120  and name HA  ))
      4.400     2.400     1.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.10147E-02 ppm1      7.454 ppm2      3.776 CV     1
 OR {  826}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 115  and name HA1 ))
 ASSI {  828}
   (( segid "B   " and resid 79   and name HN  ))
   (  segid "B   " and resid 74   and name HD2%)
      4.800     2.900     1.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.49751E-03 ppm1      7.822 ppm2      0.162 CV     1
 OR {  828}
   (( segid "B   " and resid 79   and name HN  ))
   (  segid "B   " and resid 102  and name HD1%)
 ASSI {  831}
   (( segid "B   " and resid 79   and name HN  ))
   (( segid "B   " and resid 78   and name HA2 ))
      6.000     6.000     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      7.833 ppm2      4.122 CV     1
 OR {  831}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 13   and name HA  ))
 ASSI {  832}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 16   and name HA  ))
      6.000     4.600     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.27814E-04 ppm1      7.833 ppm2      3.797 CV     1
 OR {  832}
   (( segid "B   " and resid 79   and name HN  ))
   (( segid "B   " and resid 78   and name HA1 ))
 ASSI {  833}
   (( segid "B   " and resid 79   and name HN  ))
   (( segid "B   " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak   833 spectrum    1 weight  0.10000E+01 volume  0.41455E-02 ppm1      7.833 ppm2      4.252 CV     1
 OR {  833}
   (( segid "B   " and resid 79   and name HN  ))
   (( segid "A   " and resid 4    and name HA2 ))
 ASSI {  837}
   (( segid "B   " and resid 9    and name HN  ))
   (( segid "B   " and resid 8    and name HB3 ))
      2.400     0.700     0.700 peak   837 spectrum    1 weight  0.10000E+01 volume  0.71139E-02 ppm1      8.352 ppm2      2.888 CV     1
 OR {  837}
   (( segid "B   " and resid 9    and name HN  ))
   (( segid "B   " and resid 8    and name HB2 ))
 OR {  837}
   (( segid "B   " and resid 7    and name HN  ))
   (( segid "B   " and resid 8    and name HB3 ))
 ASSI {  850}
   (( segid "B   " and resid 8    and name HN  ))
   (( segid "B   " and resid 7    and name HN  ))
      2.400     0.700     0.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.67733E-02 ppm1      8.590 ppm2      8.363 CV     1
 OR {  850}
   (( segid "B   " and resid 8    and name HN  ))
   (( segid "B   " and resid 9    and name HN  ))
 ASSI {  861}
   (( segid "B   " and resid 113  and name HN  ))
   (  segid "B   " and resid 24   and name HE% )
      3.800     1.800     1.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.61549E-03 ppm1      7.249 ppm2      1.806 CV     1
 OR {  861}
   (( segid "B   " and resid 113  and name HN  ))
   (( segid "B   " and resid 114  and name HB2 ))
 ASSI {  862}
   (( segid "B   " and resid 113  and name HN  ))
   (( segid "B   " and resid 25   and name HB2 ))
      4.300     2.300     1.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.42847E-03 ppm1      7.249 ppm2      1.611 CV     1
 OR {  862}
   (( segid "B   " and resid 113  and name HN  ))
   (  segid "B   " and resid 30   and name HB% )
 ASSI {  873}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 116  and name HA2 ))
      3.800     1.900     1.900 peak   873 spectrum    1 weight  0.10000E+01 volume  0.74616E-03 ppm1      7.454 ppm2      3.451 CV     1
 OR {  873}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 120  and name HB2 ))
 OR {  873}
   (( segid "B   " and resid 119  and name HN  ))
   (( segid "B   " and resid 120  and name HB3 ))
 ASSI {  876}
   (( segid "B   " and resid 96   and name HN  ))
   (  segid "B   " and resid 24   and name HE% )
      3.700     1.700     1.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.20464E-02 ppm1      7.584 ppm2      1.806 CV     1
 OR {  876}
   (( segid "B   " and resid 96   and name HN  ))
   (( segid "B   " and resid 19   and name HB3 ))
 ASSI {  889}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 74   and name HB3 ))
      2.000     0.500     0.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.12300E-01 ppm1      8.277 ppm2      1.655 CV     1
 OR {  889}
   (( segid "B   " and resid 75   and name HN  ))
   (  segid "B   " and resid 75   and name HB% )
 ASSI {  913}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 19   and name HB3 ))
      3.300     1.400     1.400 peak   913 spectrum    1 weight  0.10000E+01 volume  0.33735E-02 ppm1      7.941 ppm2      1.850 CV     1
 OR {  913}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 16   and name HB3 ))
 OR {  913}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 16   and name HB2 ))
 ASSI {  915}
   (( segid "B   " and resid 18   and name HN  ))
   (  segid "B   " and resid 18   and name HB% )
      2.100     0.600     0.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.19603E-01 ppm1      7.941 ppm2      1.417 CV     1
 OR {  915}
   (( segid "B   " and resid 18   and name HN  ))
   (  segid "B   " and resid 17   and name HB% )
 ASSI {  919}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.13710E-02 ppm1      7.941 ppm2      3.797 CV     1
 OR {  919}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 19   and name HA  ))
 ASSI {  921}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 83   and name HB3 ))
      2.500     0.800     0.800 peak   921 spectrum    1 weight  0.10000E+01 volume  0.57761E-02 ppm1      7.995 ppm2      2.109 CV     1
 OR {  921}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 82   and name HG2 ))
 ASSI {  922}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 82   and name HB2 ))
      2.800     1.000     1.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.53637E-02 ppm1      7.995 ppm2      1.914 CV     1
 OR {  922}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 83   and name HB2 ))
 ASSI {  928}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 82   and name HA  ))
      2.800     1.000     1.000 peak   928 spectrum    1 weight  0.10000E+01 volume  0.40280E-02 ppm1      7.995 ppm2      4.122 CV     1
 OR {  928}
   (( segid "B   " and resid 83   and name HN  ))
   (( segid "B   " and resid 84   and name HD3 ))
 ASSI {  933}
   (( segid "B   " and resid 75   and name HN  ))
   (( segid "B   " and resid 73   and name HN  ))
      4.000     2.000     2.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.13647E-02 ppm1      8.277 ppm2      7.584 CV     1
 OR {  933}
   (( segid "B   " and resid 75   and name HN  ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI {  936}
   (( segid "B   " and resid 29   and name HN  ))
   (  segid "B   " and resid 30   and name HB% )
      3.500     1.500     1.500 peak   936 spectrum    1 weight  0.10000E+01 volume  0.39681E-02 ppm1      7.649 ppm2      1.611 CV     1
 OR {  936}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HD2 ))
 OR {  936}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HD3 ))
 ASSI {  954}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
      4.700     2.800     1.300 peak   954 spectrum    1 weight  0.10000E+01 volume  0.45747E-03 ppm1      7.746 ppm2      3.840 CV     1
 OR {  954}
   (( segid "B   " and resid 40   and name HN  ))
   (( segid "B   " and resid 38   and name HD3 ))
 ASSI {  960}
   (( segid "B   " and resid 107  and name HN  ))
   (  segid "B   " and resid 110  and name HG2%)
      4.000     2.000     2.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.15065E-02 ppm1      8.363 ppm2      0.768 CV     1
 OR {  960}
   (( segid "B   " and resid 107  and name HN  ))
   (  segid "B   " and resid 110  and name HD1%)
 OR {  960}
   (( segid "B   " and resid 107  and name HN  ))
   (( segid "B   " and resid 102  and name HB2 ))
 ASSI {  961}
   (( segid "B   " and resid 107  and name HN  ))
   (( segid "B   " and resid 105  and name HN  ))
      4.000     2.000     2.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.12609E-02 ppm1      8.363 ppm2      8.082 CV     1
 OR {  961}
   (( segid "B   " and resid 107  and name HN  ))
   (( segid "B   " and resid 104  and name HN  ))
 ASSI {  970}
   (( segid "B   " and resid 14   and name HN  ))
   (  segid "B   " and resid 17   and name HB% )
      4.100     2.100     1.900 peak   970 spectrum    1 weight  0.10000E+01 volume  0.97442E-03 ppm1      8.536 ppm2      1.417 CV     1
 OR {  970}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 16   and name HG2 ))
 ASSI {  975}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 16   and name HB2 ))
      3.900     1.900     1.900 peak   975 spectrum    1 weight  0.10000E+01 volume  0.86243E-03 ppm1      8.547 ppm2      1.850 CV     1
 OR {  975}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 12   and name HB3 ))
 OR {  975}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 16   and name HB3 ))
 ASSI {  999}
   (( segid "B   " and resid 80   and name HN  ))
   (( segid "B   " and resid 81   and name HD3 ))
      4.000     2.000     2.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.96169E-03 ppm1      8.601 ppm2      4.100 CV     1
 OR {  999}
   (( segid "B   " and resid 80   and name HN  ))
   (( segid "B   " and resid 82   and name HA  ))
 ASSI { 1004}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 3    and name HG3 ))
      4.900     3.000     1.100 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.46058E-03 ppm1      7.790 ppm2      2.391 CV     1
 OR { 1004}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 3    and name HG2 ))
 OR { 1004}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 5    and name HG3 ))
 ASSI { 1014}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.33375E-02 ppm1      7.790 ppm2      4.208 CV     1
 OR { 1014}
   (( segid "B   " and resid 6    and name HN  ))
   (( segid "B   " and resid 5    and name HA  ))
 ASSI { 1021}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 102  and name HB2 ))
      5.100     3.300     0.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.38842E-03 ppm1      8.060 ppm2      0.768 CV     1
 OR { 1021}
   (( segid "B   " and resid 104  and name HN  ))
   (  segid "B   " and resid 110  and name HD1%)
 OR { 1021}
   (( segid "B   " and resid 104  and name HN  ))
   (  segid "B   " and resid 110  and name HG2%)
 ASSI { 1029}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 106  and name HN  ))
      3.900     1.900     1.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.12765E-02 ppm1      8.071 ppm2      7.801 CV     1
 OR { 1029}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 101  and name HN  ))
 ASSI { 1031}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 105  and name HA  ))
      4.700     2.800     1.300 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.43518E-03 ppm1      8.071 ppm2      4.338 CV     1
 OR { 1031}
   (( segid "B   " and resid 104  and name HN  ))
   (( segid "B   " and resid 106  and name HA2 ))
 ASSI { 1042}
   (( segid "B   " and resid 86   and name HN  ))
   (( segid "B   " and resid 42   and name HG  ))
      4.400     2.400     1.600 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.80801E-03 ppm1      8.764 ppm2      1.287 CV     1
 OR { 1042}
   (( segid "B   " and resid 86   and name HN  ))
   (( segid "B   " and resid 110  and name HG12))
 ASSI { 1044}
   (( segid "B   " and resid 86   and name HN  ))
   (  segid "B   " and resid 86   and name HG1%)
      2.400     0.700     0.700 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.55890E-02 ppm1      8.764 ppm2      0.768 CV     1
 OR { 1044}
   (( segid "B   " and resid 86   and name HN  ))
   (  segid "B   " and resid 85   and name HG2%)
 ASSI { 1051}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.99167E-03 ppm1      9.045 ppm2      4.403 CV     1
 OR { 1051}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 129  and name HA  ))
 ASSI { 1054}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 128  and name HG  ))
      3.000     1.100     1.100 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.26494E-02 ppm1      9.056 ppm2      1.179 CV     1
 OR { 1054}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 56   and name HD3 ))
 ASSI { 1063}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 58   and name HB3 ))
      4.300     2.300     1.700 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.56586E-03 ppm1      9.056 ppm2      2.780 CV     1
 OR { 1063}
   (( segid "B   " and resid 128  and name HN  ))
   (( segid "B   " and resid 129  and name HB3 ))
 ASSI { 1066}
   (( segid "B   " and resid 87   and name HN  ))
   (  segid "B   " and resid 86   and name HG2%)
      2.100     0.500     0.500 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.10240E-01 ppm1      9.142 ppm2      0.832 CV     1
 OR { 1066}
   (( segid "B   " and resid 87   and name HN  ))
   (  segid "B   " and resid 87   and name HG1%)
 ASSI { 1079}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 109  and name HB  ))
      4.400     2.400     1.600 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.64281E-03 ppm1      7.617 ppm2      3.711 CV     1
 OR { 1079}
   (( segid "B   " and resid 46   and name HN  ))
   (( segid "B   " and resid 95   and name HA  ))
 ASSI { 1081}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 107  and name HB3 ))
      2.900     1.100     1.100 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.22291E-02 ppm1      7.617 ppm2      2.932 CV     1
 OR { 1081}
   (( segid "B   " and resid 108  and name HN  ))
   (( segid "B   " and resid 108  and name HE3 ))
 ASSI { 1093}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 11   and name HN  ))
      3.300     1.400     1.400 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.17513E-02 ppm1      8.006 ppm2      8.406 CV     1
 OR { 1093}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 15   and name HN  ))
 ASSI { 1118}
   (( segid "B   " and resid 15   and name HN  ))
   (  segid "B   " and resid 17   and name HB% )
      4.400     2.400     1.600 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.59870E-03 ppm1      8.417 ppm2      1.417 CV     1
 OR { 1118}
   (( segid "B   " and resid 15   and name HN  ))
   (  segid "B   " and resid 18   and name HB% )
 OR { 1118}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 16   and name HG2 ))
 ASSI { 1137}
   (( segid "B   " and resid 60   and name HN  ))
   (  segid "B   " and resid 34   and name HD2%)
      4.500     2.500     1.500 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.51021E-03 ppm1      8.569 ppm2      0.768 CV     1
 OR { 1137}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 57   and name HB3 ))
 ASSI { 1140}
   (( segid "B   " and resid 60   and name HN  ))
   (  segid "B   " and resid 31   and name HE% )
      4.400     2.400     1.600 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.51213E-03 ppm1      8.569 ppm2      6.870 CV     1
 OR { 1140}
   (( segid "B   " and resid 60   and name HN  ))
   (( segid "B   " and resid 59   and name HN  ))
 ASSI { 1151}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 102  and name HB2 ))
      2.300     0.600     0.600 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.64546E-02 ppm1      8.179 ppm2      0.768 CV     1
 OR { 1151}
   (( segid "B   " and resid 103  and name HN  ))
   (  segid "B   " and resid 110  and name HD1%)
 OR { 1151}
   (( segid "B   " and resid 103  and name HN  ))
   (  segid "B   " and resid 110  and name HG2%)
 ASSI { 1155}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 101  and name HN  ))
      3.700     1.700     1.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.11338E-02 ppm1      8.179 ppm2      7.822 CV     1
 OR { 1155}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 106  and name HN  ))
 ASSI { 1158}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 100  and name HA  ))
      3.400     1.500     1.500 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.16134E-02 ppm1      8.179 ppm2      4.078 CV     1
 OR { 1158}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 101  and name HA  ))
 ASSI { 1162}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 107  and name HB2 ))
      4.300     2.300     1.700 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.44525E-03 ppm1      8.179 ppm2      2.672 CV     1
 OR { 1162}
   (( segid "B   " and resid 103  and name HN  ))
   (( segid "B   " and resid 104  and name HB3 ))
 ASSI { 1164}
   (( segid "B   " and resid 74   and name HN  ))
   (( segid "B   " and resid 74   and name HB3 ))
      2.300     0.700     0.700 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.65624E-02 ppm1      7.736 ppm2      1.655 CV     1
 OR { 1164}
   (( segid "B   " and resid 74   and name HN  ))
   (  segid "B   " and resid 75   and name HB% )
 ASSI { 1190}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 125  and name HA  ))
      2.600     0.900     0.900 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.52483E-02 ppm1      7.335 ppm2      3.862 CV     1
 OR { 1190}
   (( segid "B   " and resid 125  and name HN  ))
   (( segid "B   " and resid 124  and name HA2 ))
 ASSI { 1216}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 128  and name HG  ))
      4.600     2.700     1.400 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.72147E-03 ppm1      8.017 ppm2      1.179 CV     1
 OR { 1216}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 57   and name HG3 ))
 ASSI { 1219}
   (( segid "B   " and resid 58   and name HN  ))
   (  segid "B   " and resid 59   and name HG2%)
      4.400     2.500     1.600 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.92668E-03 ppm1      8.017 ppm2      0.681 CV     1
 OR { 1219}
   (( segid "B   " and resid 58   and name HN  ))
   (  segid "B   " and resid 128  and name HD2%)
 ASSI { 1227}
   (( segid "B   " and resid 58   and name HN  ))
   (( segid "B   " and resid 59   and name HN  ))
      3.700     1.700     1.700 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.86243E-03 ppm1      8.028 ppm2      6.870 CV     1
 OR { 1227}
   (( segid "B   " and resid 58   and name HN  ))
   (  segid "B   " and resid 31   and name HE% )
 ASSI { 1244}
   (( segid "B   " and resid 89   and name HN  ))
   (  segid "B   " and resid 24   and name HE% )
      4.400     2.400     1.600 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.70538E-03 ppm1      7.205 ppm2      1.806 CV     1
 OR { 1244}
   (( segid "B   " and resid 89   and name HN  ))
   (( segid "B   " and resid 119  and name HB2 ))
 OR { 1244}
   (( segid "B   " and resid 89   and name HN  ))
   (( segid "B   " and resid 114  and name HB2 ))
 ASSI { 1254}
   (( segid "B   " and resid 122  and name HN  ))
   (( segid "B   " and resid 121  and name HG  ))
      4.000     2.000     2.000 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.13508E-02 ppm1      7.833 ppm2      1.806 CV     1
 OR { 1254}
   (( segid "B   " and resid 122  and name HN  ))
   (( segid "B   " and resid 119  and name HB2 ))
 ASSI { 1261}
   (( segid "B   " and resid 122  and name HN  ))
   (( segid "B   " and resid 119  and name HA  ))
      2.800     1.000     1.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.44404E-02 ppm1      7.844 ppm2      4.295 CV     1
 OR { 1261}
   (( segid "B   " and resid 122  and name HN  ))
   (( segid "B   " and resid 121  and name HA  ))
 ASSI { 1266}
   (( segid "B   " and resid 41   and name HN  ))
   (  segid "B   " and resid 41   and name HG2%)
      3.100     1.200     1.200 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.49321E-02 ppm1      7.141 ppm2      0.789 CV     1
 OR { 1266}
   (( segid "B   " and resid 41   and name HN  ))
   (  segid "B   " and resid 85   and name HG2%)
 OR { 1266}
   (( segid "B   " and resid 41   and name HN  ))
   (  segid "B   " and resid 40   and name HD1%)
 ASSI { 1272}
   (( segid "B   " and resid 41   and name HN  ))
   (( segid "B   " and resid 42   and name HN  ))
      4.400     2.500     1.600 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.48121E-03 ppm1      7.151 ppm2      8.493 CV     1
 OR { 1272}
   (( segid "B   " and resid 41   and name HN  ))
   (( segid "B   " and resid 39   and name HN  ))
 ASSI { 1282}
   (( segid "B   " and resid 50   and name HN  ))
   (  segid "B   " and resid 53   and name HB% )
      4.700     2.700     1.300 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.66247E-03 ppm1      7.444 ppm2      1.482 CV     1
 OR { 1282}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "B   " and resid 51   and name HB3 ))
 ASSI { 1285}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "B   " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.29779E-02 ppm1      7.444 ppm2      4.122 CV     1
 OR { 1285}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "B   " and resid 48   and name HA  ))
 ASSI { 1286}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "B   " and resid 47   and name HB2 ))
      3.200     1.300     1.300 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.12585E-02 ppm1      7.444 ppm2      2.737 CV     1
 OR { 1286}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "B   " and resid 49   and name HB3 ))
 OR { 1286}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HB3 ))
 ASSI { 1287}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "B   " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.13882E-02 ppm1      7.444 ppm2      2.607 CV     1
 OR { 1287}
   (( segid "B   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HB2 ))
 ASSI { 1299}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 117  and name HA  ))
      2.900     1.100     1.100 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.25391E-02 ppm1      8.504 ppm2      4.317 CV     1
 OR { 1299}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 119  and name HA  ))
 ASSI { 1303}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 122  and name HB2 ))
      4.200     2.200     1.800 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.70850E-03 ppm1      8.515 ppm2      2.261 CV     1
 OR { 1303}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 122  and name HB3 ))
 OR { 1303}
   (( segid "B   " and resid 120  and name HN  ))
   (( segid "B   " and resid 125  and name HB2 ))
 ASSI { 1306}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 114  and name HB3 ))
      4.500     2.500     1.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.60349E-03 ppm1      8.926 ppm2      2.001 CV     1
 OR { 1306}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 22   and name HB3 ))
 ASSI { 1307}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 25   and name HB3 ))
      2.900     1.100     1.100 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.44620E-02 ppm1      8.926 ppm2      1.828 CV     1
 OR { 1307}
   (( segid "B   " and resid 25   and name HN  ))
   (  segid "B   " and resid 24   and name HE% )
 ASSI { 1315}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 112  and name HB2 ))
      4.800     2.900     1.200 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.49968E-03 ppm1      8.926 ppm2      2.650 CV     1
 OR { 1315}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 24   and name HG2 ))
 ASSI { 1316}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 111  and name HB2 ))
      4.700     2.700     1.300 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.62315E-03 ppm1      8.937 ppm2      2.910 CV     1
 OR { 1316}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 24   and name HG3 ))
 ASSI { 1317}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 12   and name HB2 ))
      4.500     2.500     1.500 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.85117E-03 ppm1      8.417 ppm2      1.720 CV     1
 OR { 1317}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 15   and name HB  ))
 ASSI { 1318}
   (( segid "B   " and resid 11   and name HN  ))
   (  segid "B   " and resid 9    and name HB% )
      4.200     2.200     1.800 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.98880E-03 ppm1      8.417 ppm2      1.611 CV     1
 OR { 1318}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 12   and name HD3 ))
 ASSI { 1325}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 8    and name HB3 ))
      5.000     3.100     1.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.28940E-03 ppm1      8.417 ppm2      2.867 CV     1
 OR { 1325}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 1325}
   (( segid "B   " and resid 11   and name HN  ))
   (( segid "B   " and resid 14   and name HG3 ))
 ASSI { 1334}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 63   and name HG3 ))
      3.600     1.700     1.700 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.24672E-02 ppm1      8.634 ppm2      1.309 CV     1
 OR { 1334}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 43   and name HG13))
 ASSI { 1344}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 63   and name HG2 ))
      4.500     2.500     1.500 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.91038E-03 ppm1      8.645 ppm2      1.179 CV     1
 OR { 1344}
   (( segid "B   " and resid 64   and name HN  ))
   (( segid "B   " and resid 56   and name HD3 ))
 ASSI { 1362}
   (( segid "B   " and resid 62   and name HN  ))
   (( segid "B   " and resid 63   and name HN  ))
      3.900     1.900     1.900 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.10418E-02 ppm1      7.974 ppm2      8.471 CV     1
 OR { 1362}
   (( segid "B   " and resid 62   and name HN  ))
   (( segid "B   " and resid 42   and name HN  ))
 ASSI { 1368}
   (( segid "B   " and resid 62   and name HN  ))
   (( segid "B   " and resid 63   and name HA  ))
      4.200     2.300     1.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.48674E-03 ppm1      7.985 ppm2      4.230 CV     1
 OR { 1368}
   (( segid "B   " and resid 62   and name HN  ))
   (( segid "B   " and resid 41   and name HA  ))
 ASSI { 1374}
   (( segid "B   " and resid 30   and name HN  ))
   (  segid "B   " and resid 25   and name HD2%)
      4.000     2.000     2.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.86219E-03 ppm1      9.067 ppm2      0.941 CV     1
 OR { 1374}
   (( segid "B   " and resid 30   and name HN  ))
   (  segid "B   " and resid 34   and name HD1%)
 ASSI { 1375}
   (( segid "B   " and resid 30   and name HN  ))
   (  segid "B   " and resid 25   and name HD1%)
      3.400     1.400     1.400 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.15052E-02 ppm1      9.067 ppm2      0.573 CV     1
 OR { 1375}
   (( segid "B   " and resid 30   and name HN  ))
   (  segid "B   " and resid 33   and name HD1%)
 ASSI { 1382}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
      4.800     2.800     1.200 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.33711E-03 ppm1      9.067 ppm2      4.100 CV     1
 OR { 1382}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI { 1393}
   (( segid "B   " and resid 24   and name HN  ))
   (  segid "B   " and resid 24   and name HE% )
      4.000     2.000     2.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.26686E-02 ppm1      8.861 ppm2      1.828 CV     1
 OR { 1393}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
 OR { 1393}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 114  and name HB2 ))
 ASSI { 1421}
   (( segid "B   " and resid 110  and name HN  ))
   (( segid "B   " and resid 84   and name HB2 ))
      4.500     2.500     1.500 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.78450E-03 ppm1      8.082 ppm2      1.914 CV     1
 OR { 1421}
   (( segid "B   " and resid 110  and name HN  ))
   (( segid "B   " and resid 22   and name HB2 ))
 OR { 1421}
   (( segid "B   " and resid 110  and name HN  ))
   (( segid "B   " and resid 103  and name HG3 ))
 ASSI { 1423}
   (( segid "B   " and resid 111  and name HN  ))
   (( segid "B   " and resid 110  and name HB  ))
      4.900     3.000     1.100 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.58310E-03 ppm1      9.088 ppm2      1.655 CV     1
 OR { 1423}
   (( segid "B   " and resid 111  and name HN  ))
   (( segid "B   " and resid 25   and name HG  ))
 ASSI { 1424}
   (( segid "B   " and resid 111  and name HN  ))
   (  segid "B   " and resid 110  and name HG2%)
      2.900     1.100     1.100 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.67037E-02 ppm1      9.088 ppm2      0.789 CV     1
 OR { 1424}
   (( segid "B   " and resid 111  and name HN  ))
   (  segid "B   " and resid 110  and name HD1%)
 OR { 1424}
   (( segid "B   " and resid 111  and name HN  ))
   (  segid "B   " and resid 87   and name HG2%)
 OR { 1424}
   (( segid "B   " and resid 111  and name HN  ))
   (  segid "B   " and resid 86   and name HG1%)
 ASSI { 1430}
   (( segid "B   " and resid 111  and name HN  ))
   (  segid "B   " and resid 109  and name HG2%)
      4.800     2.900     1.200 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.41336E-03 ppm1      9.099 ppm2      1.049 CV     1
 OR { 1430}
   (( segid "B   " and resid 111  and name HN  ))
   (  segid "B   " and resid 23   and name HG1%)
 ASSI { 1449}
   (( segid "B   " and resid 43   and name HN  ))
   (( segid "B   " and resid 87   and name HB  ))
      4.100     2.100     1.900 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.11825E-02 ppm1      9.164 ppm2      1.871 CV     1
 OR { 1449}
   (( segid "B   " and resid 43   and name HN  ))
   (( segid "B   " and resid 86   and name HB  ))
 ASSI { 1456}
   (( segid "B   " and resid 43   and name HN  ))
   (  segid "B   " and resid 86   and name HG1%)
      3.800     1.800     1.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.20867E-02 ppm1      9.175 ppm2      0.768 CV     1
 OR { 1456}
   (( segid "B   " and resid 43   and name HN  ))
   (  segid "B   " and resid 34   and name HD2%)
 OR { 1456}
   (( segid "B   " and resid 43   and name HN  ))
   (  segid "B   " and resid 87   and name HG2%)
 ASSI { 1476}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 63   and name HG3 ))
      2.500     0.800     0.800 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.35054E-02 ppm1      8.482 ppm2      1.309 CV     1
 OR { 1476}
   (( segid "B   " and resid 63   and name HN  ))
   (( segid "B   " and resid 43   and name HG13))
 ASSI { 1487}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 42   and name HG  ))
      3.500     1.500     1.500 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.17937E-02 ppm1      8.482 ppm2      1.309 CV     1
 OR { 1487}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 63   and name HG3 ))
 OR { 1487}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 43   and name HG13))
 ASSI { 1489}
   (( segid "B   " and resid 42   and name HN  ))
   (  segid "B   " and resid 59   and name HG2%)
      3.100     1.200     1.200 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.25559E-02 ppm1      8.482 ppm2      0.681 CV     1
 OR { 1489}
   (( segid "B   " and resid 42   and name HN  ))
   (  segid "B   " and resid 40   and name HG2%)
 ASSI { 1491}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 62   and name HB2 ))
      3.600     1.600     1.600 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.14381E-02 ppm1      8.482 ppm2      2.758 CV     1
 OR { 1491}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 61   and name HB2 ))
 OR { 1491}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 62   and name HB3 ))
 ASSI { 1494}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 42   and name HB2 ))
      2.900     1.100     1.100 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.22274E-02 ppm1      8.493 ppm2      1.503 CV     1
 OR { 1494}
   (( segid "B   " and resid 42   and name HN  ))
   (( segid "B   " and resid 63   and name HD2 ))
 ASSI { 1505}
   (( segid "B   " and resid 120  and name HE1 ))
   (( segid "B   " and resid 58   and name HB2 ))
      4.500     2.600     1.500 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.68045E-03 ppm1      9.824 ppm2      1.785 CV     1
 OR { 1505}
   (( segid "B   " and resid 120  and name HE1 ))
   (( segid "B   " and resid 121  and name HG  ))
 ASSI { 1512}
   (( segid "B   " and resid 120  and name HE1 ))
   (( segid "B   " and resid 120  and name HH2 ))
      4.400     2.400     1.600 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.64641E-03 ppm1      9.824 ppm2      6.848 CV     1
 OR { 1512}
   (( segid "B   " and resid 120  and name HE1 ))
   (  segid "B   " and resid 31   and name HE% )
 ASSI { 1521}
   (( segid "B   " and resid 65   and name HN  ))
   (  segid "B   " and resid 73   and name HD1%)
      4.200     2.200     1.800 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.64879E-03 ppm1      7.985 ppm2      0.659 CV     1
 OR { 1521}
   (( segid "B   " and resid 65   and name HN  ))
   (  segid "B   " and resid 70   and name HD2%)
 ASSI { 1523}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 66   and name HN  ))
      4.000     2.000     2.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.98712E-03 ppm1      7.985 ppm2      7.649 CV     1
 OR { 1523}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 46   and name HN  ))
 ASSI { 1527}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 64   and name HB2 ))
      3.700     1.700     1.700 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.16237E-02 ppm1      7.985 ppm2      2.953 CV     1
 OR { 1527}
   (( segid "B   " and resid 65   and name HN  ))
   (( segid "B   " and resid 44   and name HB3 ))
 ASSI { 1537}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 19   and name HA  ))
      2.600     0.800     0.800 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.74925E-02 ppm1      1.810 ppm2      3.830 CV     1
 OR { 1537}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 96   and name HA  ))
 ASSI { 1550}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 34   and name HA  ))
      4.200     2.200     1.800 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.10500E-02 ppm1      0.779 ppm2      3.869 CV     1
 OR { 1550}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 33   and name HA  ))
 ASSI { 1551}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 40   and name HG13))
      2.500     0.800     0.800 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.43924E-02 ppm1      0.779 ppm2      1.720 CV     1
 OR { 1551}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 33   and name HB3 ))
 ASSI { 1553}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 85   and name HA  ))
      4.600     2.600     1.400 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.85907E-03 ppm1      0.767 ppm2      5.275 CV     1
 OR { 1553}
   (  segid "A   " and resid 40   and name HD1%)
   (( segid "A   " and resid 37   and name HA  ))
 ASSI { 1556}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 41   and name HB  ))
      3.800     1.800     1.800 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.14771E-02 ppm1      0.449 ppm2      3.634 CV     1
 OR { 1556}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 77   and name HB2 ))
 OR { 1556}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 77   and name HB3 ))
 ASSI { 1563}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 86   and name HN  ))
      3.600     1.600     1.600 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.11373E-02 ppm1      0.449 ppm2      8.753 CV     1
 OR { 1563}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 102  and name HN  ))
 ASSI { 1566}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "A   " and resid 85   and name HG2%)
      2.400     0.700     0.700 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.15208E-01 ppm1      0.449 ppm2      0.782 CV     1
 OR { 1566}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "A   " and resid 41   and name HG2%)
 OR { 1566}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "A   " and resid 110  and name HD1%)
 ASSI { 1581}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 103  and name HG3 ))
      3.200     1.300     1.300 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.39467E-02 ppm1      0.754 ppm2      1.915 CV     1
 OR { 1581}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 22   and name HB2 ))
 ASSI { 1607}
   (  segid "A   " and resid 30   and name HB% )
   (( segid "A   " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.18262E-02 ppm1      1.606 ppm2      4.728 CV     1
 OR { 1607}
   (  segid "A   " and resid 30   and name HB% )
   (( segid "A   " and resid 113  and name HA  ))
 ASSI { 1627}
   (  segid "A   " and resid 43   and name HG2%)
   (  segid "A   " and resid 45   and name HG1%)
      2.400     0.700     0.700 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.89481E-02 ppm1      0.474 ppm2      0.860 CV     1
 OR { 1627}
   (  segid "A   " and resid 43   and name HG2%)
   (  segid "A   " and resid 87   and name HG1%)
 ASSI { 1629}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 64   and name HA  ))
      4.100     2.100     1.900 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.62334E-03 ppm1      0.474 ppm2      5.041 CV     1
 OR { 1629}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 42   and name HA  ))
 ASSI { 1634}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 21   and name HB3 ))
      3.900     1.900     1.900 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.98414E-03 ppm1      1.479 ppm2      2.931 CV     1
 OR { 1634}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 24   and name HG3 ))
 ASSI { 1641}
   (  segid "A   " and resid 45   and name HG2%)
   (  segid "A   " and resid 98   and name HB% )
      3.100     1.200     1.200 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.25262E-02 ppm1      0.678 ppm2      1.329 CV     1
 OR { 1641}
   (  segid "A   " and resid 45   and name HG2%)
   (( segid "A   " and resid 65   and name HB2 ))
 ASSI { 1647}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 89   and name HA  ))
      4.200     2.200     1.800 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.85712E-03 ppm1      1.123 ppm2      4.924 CV     1
 OR { 1647}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 87   and name HA  ))
 ASSI { 1651}
   (  segid "A   " and resid 13   and name HB% )
   (( segid "A   " and resid 12   and name HB3 ))
      2.800     1.000     1.000 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.76103E-02 ppm1      1.530 ppm2      1.837 CV     1
 OR { 1651}
   (  segid "A   " and resid 13   and name HB% )
   (( segid "A   " and resid 16   and name HB2 ))
 OR { 1651}
   (  segid "A   " and resid 13   and name HB% )
   (( segid "A   " and resid 16   and name HB3 ))
 ASSI { 1661}
   (  segid "A   " and resid 17   and name HB% )
   (( segid "A   " and resid 17   and name HA  ))
      1.900     0.400     0.400 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.33367E-01 ppm1      1.415 ppm2      4.103 CV     1
 OR { 1661}
   (  segid "A   " and resid 18   and name HB% )
   (( segid "A   " and resid 18   and name HA  ))
 ASSI { 1673}
   (  segid "A   " and resid 96   and name HB% )
   (  segid "A   " and resid 97   and name HD2%)
      2.200     0.600     0.600 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.10733E-01 ppm1      1.415 ppm2      0.743 CV     1
 OR { 1673}
   (  segid "A   " and resid 96   and name HB% )
   (  segid "B   " and resid 97   and name HD2%)
 ASSI { 1685}
   (  segid "A   " and resid 98   and name HB% )
   (  segid "A   " and resid 87   and name HG1%)
      2.300     0.700     0.700 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.61592E-02 ppm1      1.326 ppm2      0.860 CV     1
 OR { 1685}
   (  segid "A   " and resid 98   and name HB% )
   (  segid "A   " and resid 45   and name HG1%)
 ASSI { 1688}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 99   and name HA2 ))
      3.600     1.600     1.600 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.25299E-02 ppm1      0.792 ppm2      3.556 CV     1
 OR { 1688}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 99   and name HA1 ))
 OR { 1688}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 99   and name HA1 ))
 ASSI { 1689}
   (  segid "A   " and resid 75   and name HB% )
   (( segid "A   " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.20629E-02 ppm1      1.644 ppm2      3.322 CV     1
 OR { 1689}
   (  segid "A   " and resid 75   and name HB% )
   (( segid "B   " and resid 7    and name HB2 ))
 ASSI { 1696}
   (  segid "A   " and resid 98   and name HB% )
   (( segid "A   " and resid 70   and name HB3 ))
      3.300     1.400     1.400 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.34556E-02 ppm1      1.339 ppm2      1.681 CV     1
 OR { 1696}
   (  segid "A   " and resid 98   and name HB% )
   (( segid "A   " and resid 97   and name HB2 ))
 ASSI { 1701}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 99   and name HA2 ))
      3.800     1.800     1.800 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.21465E-02 ppm1      0.817 ppm2      3.517 CV     1
 OR { 1701}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 99   and name HA1 ))
 OR { 1701}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 99   and name HA2 ))
 OR { 1701}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 99   and name HA1 ))
 ASSI { 1706}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 110  and name HA  ))
      2.900     1.100     1.100 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.39979E-02 ppm1      0.779 ppm2      4.533 CV     1
 OR { 1706}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 110  and name HA  ))
 OR { 1706}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 103  and name HA  ))
 ASSI { 1709}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.18522E-02 ppm1      0.792 ppm2      4.846 CV     1
 OR { 1709}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 86   and name HA  ))
 ASSI { 1721}
   (  segid "A   " and resid 85   and name HG2%)
   (  segid "A   " and resid 102  and name HD1%)
      2.600     0.800     0.800 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.55010E-02 ppm1      0.779 ppm2      0.157 CV     1
 OR { 1721}
   (  segid "A   " and resid 110  and name HG2%)
   (  segid "A   " and resid 102  and name HD1%)
 ASSI { 1725}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 57   and name HB2 ))
      2.800     1.000     1.000 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.47553E-02 ppm1      0.665 ppm2      0.274 CV     1
 OR { 1725}
   (  segid "A   " and resid 59   and name HG2%)
   (  segid "A   " and resid 42   and name HD1%)
 ASSI { 1726}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 42   and name HN  ))
      3.400     1.400     1.400 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.16303E-02 ppm1      0.665 ppm2      8.480 CV     1
 OR { 1726}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 63   and name HN  ))
 ASSI { 1728}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 112  and name HB2 ))
      3.800     1.800     1.800 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.10148E-02 ppm1      0.817 ppm2      2.657 CV     1
 OR { 1728}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 27   and name HB3 ))
 ASSI { 1730}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 85   and name HA  ))
      4.600     2.600     1.400 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.61722E-03 ppm1      0.830 ppm2      5.236 CV     1
 OR { 1730}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 24   and name HA  ))
 ASSI { 1749}
   (  segid "A   " and resid 45   and name HG1%)
   (( segid "A   " and resid 67   and name HA  ))
      3.200     1.300     1.300 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.13973E-02 ppm1      0.843 ppm2      3.712 CV     1
 OR { 1749}
   (  segid "A   " and resid 45   and name HG1%)
   (( segid "A   " and resid 95   and name HA  ))
 ASSI { 1750}
   (  segid "A   " and resid 45   and name HG1%)
   (( segid "A   " and resid 65   and name HB2 ))
      2.400     0.700     0.700 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.50851E-02 ppm1      0.843 ppm2      1.329 CV     1
 OR { 1750}
   (  segid "A   " and resid 45   and name HG1%)
   (  segid "A   " and resid 98   and name HB% )
 ASSI { 1770}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 86   and name HN  ))
      3.900     1.900     1.900 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.20267E-02 ppm1      0.767 ppm2      8.753 CV     1
 OR { 1770}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 102  and name HN  ))
 OR { 1770}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 45   and name HN  ))
 ASSI { 1774}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 87   and name HN  ))
      2.900     1.100     1.100 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.41593E-02 ppm1      0.843 ppm2      9.144 CV     1
 OR { 1774}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 43   and name HN  ))
 ASSI { 1779}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 86   and name HN  ))
      3.400     1.500     1.500 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.17176E-02 ppm1      0.843 ppm2      8.753 CV     1
 OR { 1779}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 102  and name HN  ))
 OR { 1779}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 45   and name HN  ))
 ASSI { 1783}
   (  segid "A   " and resid 23   and name HG1%)
   (  segid "A   " and resid 30   and name HB% )
      4.000     2.000     2.000 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.17129E-02 ppm1      1.072 ppm2      1.642 CV     1
 OR { 1783}
   (  segid "A   " and resid 23   and name HG1%)
   (( segid "A   " and resid 110  and name HB  ))
 ASSI { 1785}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "A   " and resid 97   and name HB3 ))
      2.700     0.900     0.900 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.11550E-01 ppm1      0.716 ppm2      1.954 CV     1
 OR { 1785}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "B   " and resid 97   and name HB3 ))
 ASSI { 1800}
   (  segid "A   " and resid 23   and name HG1%)
   (( segid "A   " and resid 24   and name HG3 ))
      4.600     2.600     1.400 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.73140E-03 ppm1      1.072 ppm2      2.931 CV     1
 OR { 1800}
   (  segid "A   " and resid 23   and name HG1%)
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI { 1804}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "A   " and resid 100  and name HG2 ))
      2.600     0.800     0.800 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.12450E-01 ppm1      0.716 ppm2      1.407 CV     1
 OR { 1804}
   (  segid "A   " and resid 97   and name HD2%)
   (  segid "A   " and resid 18   and name HB% )
 ASSI { 1805}
   (  segid "A   " and resid 23   and name HG1%)
   (( segid "A   " and resid 25   and name HB3 ))
      3.700     1.700     1.700 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.27843E-02 ppm1      1.072 ppm2      1.837 CV     1
 OR { 1805}
   (  segid "A   " and resid 23   and name HG1%)
   (  segid "A   " and resid 24   and name HE% )
 ASSI { 1815}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.56978E-02 ppm1      0.805 ppm2      8.480 CV     1
 OR { 1815}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 63   and name HN  ))
 ASSI { 1820}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 41   and name HB  ))
      2.200     0.600     0.600 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.75090E-02 ppm1      0.805 ppm2      3.634 CV     1
 OR { 1820}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 77   and name HB3 ))
 ASSI { 1821}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 63   and name HG3 ))
      2.400     0.700     0.700 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.69333E-02 ppm1      0.805 ppm2      1.290 CV     1
 OR { 1821}
   (  segid "A   " and resid 41   and name HG2%)
   (( segid "A   " and resid 43   and name HG13))
 ASSI { 1832}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "A   " and resid 79   and name HA  ))
      4.700     2.700     1.300 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.69057E-03 ppm1     -0.111 ppm2      4.260 CV     1
 OR { 1832}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "B   " and resid 4    and name HA2 ))
 ASSI { 1833}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "A   " and resid 100  and name HG3 ))
      3.300     1.400     1.400 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.37147E-02 ppm1      1.161 ppm2      1.524 CV     1
 OR { 1833}
   (  segid "A   " and resid 101  and name HG2%)
   (  segid "B   " and resid 13   and name HB% )
 ASSI { 1843}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "A   " and resid 102  and name HB2 ))
      3.100     1.200     1.200 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.56382E-02 ppm1     -0.098 ppm2      0.782 CV     1
 OR { 1843}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 110  and name HD1%)
 OR { 1843}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 85   and name HG2%)
 ASSI { 1852}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 74   and name HD2%)
      2.000     0.500     0.500 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.11503E-01 ppm1     -0.098 ppm2      0.157 CV     1
 OR { 1852}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 102  and name HD1%)
 ASSI { 1861}
   (  segid "A   " and resid 73   and name HD2%)
   (( segid "A   " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.72575E-02 ppm1      0.805 ppm2      1.642 CV     1
 OR { 1861}
   (  segid "A   " and resid 73   and name HD2%)
   (( segid "A   " and resid 76   and name HB2 ))
 ASSI { 1871}
   (  segid "A   " and resid 74   and name HD2%)
   (  segid "A   " and resid 102  and name HD2%)
      1.900     0.400     0.400 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.15532E-01 ppm1      0.143 ppm2     -0.078 CV     1
 OR { 1871}
   (  segid "A   " and resid 74   and name HD2%)
   (  segid "A   " and resid 74   and name HD1%)
 ASSI { 1882}
   (  segid "A   " and resid 79   and name HD2%)
   (  segid "A   " and resid 102  and name HD1%)
      3.000     1.100     1.100 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.18262E-02 ppm1      0.868 ppm2      0.157 CV     1
 OR { 1882}
   (  segid "A   " and resid 79   and name HD2%)
   (  segid "A   " and resid 74   and name HD2%)
 ASSI { 1887}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "A   " and resid 74   and name HB3 ))
      2.100     0.600     0.600 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.94236E-02 ppm1      0.143 ppm2      1.642 CV     1
 OR { 1887}
   (  segid "A   " and resid 125  and name HD2%)
   (( segid "A   " and resid 27   and name HB2 ))
 ASSI { 1902}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "B   " and resid 9    and name HA  ))
      3.900     1.900     1.900 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.10640E-02 ppm1      0.131 ppm2      4.103 CV     1
 OR { 1902}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "A   " and resid 101  and name HA  ))
 OR { 1902}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "A   " and resid 81   and name HD3 ))
 OR { 1902}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "A   " and resid 78   and name HA2 ))
 ASSI { 1906}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "A   " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.48156E-02 ppm1      0.143 ppm2      0.547 CV     1
 OR { 1906}
   (  segid "A   " and resid 74   and name HD2%)
   (  segid "A   " and resid 70   and name HD1%)
 ASSI { 1907}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 41   and name HB  ))
      2.900     1.100     1.100 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.31269E-02 ppm1      0.856 ppm2      3.634 CV     1
 OR { 1907}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 77   and name HB2 ))
 OR { 1907}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 77   and name HB3 ))
 ASSI { 1913}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 42   and name HG  ))
      3.300     1.400     1.400 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.63756E-02 ppm1      0.741 ppm2      1.329 CV     1
 OR { 1913}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 42   and name HG  ))
 ASSI { 1919}
   (  segid "A   " and resid 85   and name HG1%)
   (( segid "A   " and resid 110  and name HB  ))
      3.800     1.800     1.800 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.18448E-02 ppm1      1.046 ppm2      1.642 CV     1
 OR { 1919}
   (  segid "A   " and resid 85   and name HG1%)
   (  segid "A   " and resid 30   and name HB% )
 OR { 1919}
   (  segid "A   " and resid 85   and name HG1%)
   (( segid "A   " and resid 34   and name HB2 ))
 ASSI { 1922}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 87   and name HA  ))
      3.400     1.500     1.500 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.37973E-02 ppm1      0.741 ppm2      4.924 CV     1
 OR { 1922}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 87   and name HA  ))
 ASSI { 1924}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 43   and name HN  ))
      3.400     1.400     1.400 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.31688E-02 ppm1      0.741 ppm2      9.144 CV     1
 OR { 1924}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 87   and name HN  ))
 ASSI { 1925}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 84   and name HG3 ))
      4.200     2.200     1.800 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.11577E-02 ppm1      0.741 ppm2      2.189 CV     1
 OR { 1925}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 84   and name HG3 ))
 OR { 1925}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 126  and name HG3 ))
 OR { 1925}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 27   and name HG3 ))
 OR { 1925}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 36   and name HG2 ))
 OR { 1925}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 36   and name HG3 ))
 OR { 1925}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 126  and name HB2 ))
 ASSI { 1930}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.97948E-02 ppm1      0.550 ppm2      3.869 CV     1
 OR { 1930}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 33   and name HA  ))
 ASSI { 1939}
   (  segid "A   " and resid 85   and name HG1%)
   (  segid "A   " and resid 85   and name HG2%)
      2.000     0.500     0.500 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.19553E-01 ppm1      1.046 ppm2      0.782 CV     1
 OR { 1939}
   (  segid "A   " and resid 85   and name HG1%)
   (  segid "A   " and resid 41   and name HG2%)
 ASSI { 1947}
   (  segid "A   " and resid 70   and name HD1%)
   (  segid "A   " and resid 74   and name HD1%)
      2.500     0.800     0.800 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.51435E-02 ppm1      0.538 ppm2     -0.078 CV     1
 OR { 1947}
   (  segid "A   " and resid 70   and name HD1%)
   (  segid "A   " and resid 102  and name HD2%)
 ASSI { 1952}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 48   and name HB3 ))
      3.600     1.600     1.600 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.20750E-02 ppm1      0.232 ppm2      2.618 CV     1
 OR { 1952}
   (  segid "A   " and resid 51   and name HD2%)
   (( segid "A   " and resid 56   and name HE3 ))
 ASSI { 1956}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 70   and name HB2 ))
      1.900     0.500     0.500 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.10073E-01 ppm1      0.550 ppm2      1.446 CV     1
 OR { 1956}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 33   and name HB2 ))
 ASSI { 1957}
   (  segid "A   " and resid 86   and name HG1%)
   (  segid "A   " and resid 30   and name HB% )
      2.300     0.700     0.700 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.73679E-02 ppm1      0.754 ppm2      1.642 CV     1
 OR { 1957}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 34   and name HB2 ))
 ASSI { 1958}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 70   and name HB3 ))
      2.600     0.900     0.900 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.12627E-01 ppm1      0.538 ppm2      1.642 CV     1
 OR { 1958}
   (  segid "A   " and resid 33   and name HD1%)
   (  segid "A   " and resid 30   and name HB% )
 OR { 1958}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 74   and name HB3 ))
 ASSI { 1960}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 84   and name HA  ))
      4.400     2.400     1.600 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.79249E-03 ppm1      0.767 ppm2      5.080 CV     1
 OR { 1960}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 25   and name HA  ))
 OR { 1960}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 84   and name HA  ))
 ASSI { 1964}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 40   and name HB  ))
      2.500     0.800     0.800 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.10862E-01 ppm1      0.754 ppm2      1.837 CV     1
 OR { 1964}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 40   and name HB  ))
 OR { 1964}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 25   and name HB3 ))
 ASSI { 1965}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "A   " and resid 14   and name HA  ))
      3.400     1.500     1.500 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.25299E-02 ppm1      0.436 ppm2      4.064 CV     1
 OR { 1965}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "B   " and resid 69   and name HA  ))
 OR { 1965}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "B   " and resid 101  and name HA  ))
 ASSI { 1978}
   (  segid "A   " and resid 15   and name HG2%)
   (  segid "A   " and resid 18   and name HB% )
      3.000     1.100     1.100 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.45224E-02 ppm1      0.436 ppm2      1.446 CV     1
 OR { 1978}
   (  segid "A   " and resid 15   and name HG2%)
   (  segid "A   " and resid 96   and name HB% )
 OR { 1978}
   (  segid "A   " and resid 15   and name HG2%)
   (  segid "A   " and resid 17   and name HB% )
 OR { 1978}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "B   " and resid 70   and name HB2 ))
 ASSI { 1997}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.31482E-02 ppm1      0.334 ppm2      4.142 CV     1
 OR { 1997}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 46   and name HA  ))
 ASSI { 2013}
   (  segid "A   " and resid 74   and name HD1%)
   (  segid "A   " and resid 74   and name HD2%)
      2.300     0.700     0.700 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.61657E-02 ppm1     -0.086 ppm2      0.157 CV     1
 OR { 2013}
   (  segid "A   " and resid 74   and name HD1%)
   (  segid "A   " and resid 102  and name HD1%)
 ASSI { 2022}
   (  segid "A   " and resid 97   and name HD1%)
   (( segid "A   " and resid 100  and name HG2 ))
      3.100     1.200     1.200 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.27156E-02 ppm1      1.008 ppm2      1.407 CV     1
 OR { 2022}
   (  segid "A   " and resid 97   and name HD1%)
   (  segid "B   " and resid 18   and name HB% )
 ASSI { 2028}
   (  segid "A   " and resid 97   and name HD1%)
   (  segid "B   " and resid 11   and name HE% )
      3.300     1.400     1.400 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.36727E-02 ppm1      0.996 ppm2      7.190 CV     1
 OR { 2028}
   (  segid "A   " and resid 97   and name HD1%)
   (( segid "A   " and resid 97   and name HN  ))
 ASSI { 2030}
   (( segid "A   " and resid 6    and name HG2 ))
   (( segid "A   " and resid 6    and name HE3 ))
      2.100     0.500     0.500 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.96091E-02 ppm1      1.364 ppm2      2.931 CV     1
 OR { 2030}
   (( segid "A   " and resid 6    and name HG2 ))
   (( segid "A   " and resid 6    and name HE2 ))
 OR { 2030}
   (( segid "A   " and resid 83   and name HG2 ))
   (( segid "A   " and resid 80   and name HB3 ))
 ASSI { 2046}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "A   " and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.25857E-02 ppm1     -0.086 ppm2      0.547 CV     1
 OR { 2046}
   (  segid "A   " and resid 74   and name HD1%)
   (  segid "A   " and resid 70   and name HD1%)
 ASSI { 2064}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 27   and name HG2 ))
      3.700     1.800     1.800 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.13880E-02 ppm1     -0.226 ppm2      1.993 CV     1
 OR { 2064}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 126  and name HG2 ))
 ASSI { 2092}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 62   and name HA  ))
      3.900     1.900     1.900 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.13193E-02 ppm1      0.372 ppm2      4.885 CV     1
 OR { 2092}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 87   and name HA  ))
 ASSI { 2095}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 57   and name HB3 ))
      3.200     1.300     1.300 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.30814E-02 ppm1      0.372 ppm2      0.782 CV     1
 OR { 2095}
   (  segid "A   " and resid 42   and name HD2%)
   (  segid "A   " and resid 34   and name HD2%)
 OR { 2095}
   (  segid "A   " and resid 42   and name HD2%)
   (  segid "A   " and resid 86   and name HG1%)
 ASSI { 2099}
   (  segid "A   " and resid 128  and name HD1%)
   (( segid "A   " and resid 128  and name HG  ))
      2.000     0.500     0.500 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.12775E-01 ppm1      0.639 ppm2      1.173 CV     1
 OR { 2099}
   (  segid "A   " and resid 128  and name HD1%)
   (( segid "A   " and resid 56   and name HD3 ))
 ASSI { 2108}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 31   and name HB3 ))
      4.600     2.600     1.400 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.11930E-02 ppm1      0.360 ppm2      2.892 CV     1
 OR { 2108}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 111  and name HB2 ))
 ASSI { 2114}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 88   and name HD% )
      3.800     1.800     1.800 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.19599E-02 ppm1      0.245 ppm2      6.956 CV     1
 OR { 2114}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 111  and name HD% )
 ASSI { 2119}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.85571E-03 ppm1      0.245 ppm2      9.144 CV     1
 OR { 2119}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 87   and name HN  ))
 ASSI { 2130}
   (  segid "A   " and resid 79   and name HD1%)
   (( segid "A   " and resid 74   and name HB3 ))
      3.300     1.400     1.400 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.44035E-02 ppm1      0.728 ppm2      1.642 CV     1
 OR { 2130}
   (  segid "A   " and resid 79   and name HD1%)
   (  segid "A   " and resid 75   and name HB% )
 ASSI { 2137}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 86   and name HB  ))
      3.900     1.900     1.900 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.17362E-02 ppm1      0.258 ppm2      1.876 CV     1
 OR { 2137}
   (  segid "A   " and resid 42   and name HD1%)
   (( segid "A   " and resid 34   and name HB3 ))
 ASSI { 2142}
   (  segid "A   " and resid 79   and name HD1%)
   (( segid "A   " and resid 77   and name HA  ))
      4.300     2.400     1.700 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.11141E-02 ppm1      0.728 ppm2      4.103 CV     1
 OR { 2142}
   (  segid "A   " and resid 79   and name HD1%)
   (( segid "A   " and resid 78   and name HA2 ))
 ASSI { 2150}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 59   and name HG2%)
      3.300     1.400     1.400 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.61359E-02 ppm1      0.258 ppm2      0.704 CV     1
 OR { 2150}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 40   and name HG2%)
 ASSI { 2153}
   (  segid "A   " and resid 79   and name HD1%)
   (  segid "A   " and resid 102  and name HD1%)
      3.200     1.200     1.200 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.33367E-02 ppm1      0.728 ppm2      0.157 CV     1
 OR { 2153}
   (  segid "A   " and resid 79   and name HD1%)
   (  segid "A   " and resid 74   and name HD2%)
 ASSI { 2162}
   (  segid "A   " and resid 102  and name HD1%)
   (  segid "A   " and resid 102  and name HD2%)
      2.300     0.700     0.700 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.62196E-02 ppm1      0.156 ppm2     -0.078 CV     1
 OR { 2162}
   (  segid "A   " and resid 102  and name HD1%)
   (  segid "A   " and resid 74   and name HD1%)
 ASSI { 2169}
   (  segid "A   " and resid 102  and name HD1%)
   (  segid "A   " and resid 110  and name HD1%)
      2.000     0.500     0.500 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.12627E-01 ppm1      0.156 ppm2      0.782 CV     1
 OR { 2169}
   (  segid "A   " and resid 102  and name HD1%)
   (( segid "A   " and resid 102  and name HB2 ))
 ASSI { 2173}
   (  segid "A   " and resid 70   and name HD2%)
   (  segid "A   " and resid 74   and name HD1%)
      3.600     1.600     1.600 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.42985E-02 ppm1      0.639 ppm2     -0.078 CV     1
 OR { 2173}
   (  segid "A   " and resid 70   and name HD2%)
   (  segid "A   " and resid 102  and name HD2%)
 ASSI { 2174}
   (  segid "A   " and resid 121  and name HD1%)
   (  segid "A   " and resid 54   and name HE% )
      2.600     0.900     0.900 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.40358E-02 ppm1      1.008 ppm2      1.485 CV     1
 OR { 2174}
   (  segid "A   " and resid 121  and name HD1%)
   (( segid "A   " and resid 121  and name HB2 ))
 ASSI { 2205}
   (  segid "A   " and resid 70   and name HD2%)
   (( segid "A   " and resid 70   and name HB3 ))
      2.000     0.500     0.500 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.92842E-02 ppm1      0.639 ppm2      1.642 CV     1
 OR { 2205}
   (  segid "A   " and resid 73   and name HD1%)
   (( segid "A   " and resid 76   and name HB2 ))
 ASSI { 2227}
   (( segid "A   " and resid 103  and name HG2 ))
   (( segid "A   " and resid 103  and name HD3 ))
      2.900     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.30137E-02 ppm1      1.720 ppm2      3.361 CV     1
 OR { 2227}
   (( segid "A   " and resid 40   and name HG13))
   (( segid "A   " and resid 84   and name HD2 ))
 ASSI { 2231}
   (( segid "A   " and resid 125  and name HG  ))
   (( segid "A   " and resid 27   and name HG3 ))
      4.000     2.000     2.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.12812E-02 ppm1      0.652 ppm2      2.228 CV     1
 OR { 2231}
   (( segid "A   " and resid 125  and name HG  ))
   (( segid "A   " and resid 126  and name HB2 ))
 ASSI { 2246}
   (  segid "A   " and resid 73   and name HD1%)
   (( segid "A   " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.23545E-02 ppm1      0.652 ppm2      3.791 CV     1
 OR { 2246}
   (( segid "A   " and resid 125  and name HG  ))
   (( segid "A   " and resid 120  and name HA  ))
 ASSI { 2250}
   (( segid "A   " and resid 110  and name HG12))
   (  segid "A   " and resid 110  and name HG2%)
      2.200     0.600     0.600 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.76939E-02 ppm1      1.301 ppm2      0.782 CV     1
 OR { 2250}
   (( segid "A   " and resid 110  and name HG12))
   (  segid "A   " and resid 110  and name HD1%)
 OR { 2250}
   (( segid "A   " and resid 43   and name HG13))
   (  segid "A   " and resid 41   and name HG2%)
 ASSI { 2268}
   (  segid "A   " and resid 34   and name HD1%)
   (( segid "A   " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.44490E-02 ppm1      0.932 ppm2      1.642 CV     1
 OR { 2268}
   (  segid "A   " and resid 34   and name HD1%)
   (  segid "A   " and resid 30   and name HB% )
 ASSI { 2278}
   (  segid "A   " and resid 34   and name HD1%)
   (  segid "A   " and resid 34   and name HD2%)
      2.200     0.600     0.600 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.96928E-02 ppm1      0.932 ppm2      0.782 CV     1
 OR { 2278}
   (  segid "A   " and resid 34   and name HD1%)
   (  segid "A   " and resid 86   and name HG1%)
 ASSI { 2355}
   (( segid "A   " and resid 32   and name HD2 ))
   (( segid "A   " and resid 32   and name HE3 ))
      1.700     0.400     0.500 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.40935E-01 ppm1      1.657 ppm2      2.970 CV     1
 OR { 2355}
   (( segid "A   " and resid 16   and name HD3 ))
   (( segid "A   " and resid 16   and name HE2 ))
 OR { 2355}
   (( segid "A   " and resid 60   and name HD2 ))
   (( segid "A   " and resid 60   and name HE3 ))
 OR { 2355}
   (( segid "A   " and resid 16   and name HD2 ))
   (( segid "A   " and resid 16   and name HE3 ))
 OR { 2355}
   (( segid "A   " and resid 32   and name HD2 ))
   (( segid "A   " and resid 32   and name HE2 ))
 OR { 2355}
   (( segid "A   " and resid 32   and name HD3 ))
   (( segid "A   " and resid 32   and name HE3 ))
 OR { 2355}
   (( segid "A   " and resid 32   and name HD3 ))
   (( segid "A   " and resid 32   and name HE2 ))
 OR { 2355}
   (( segid "A   " and resid 16   and name HD2 ))
   (( segid "A   " and resid 16   and name HE2 ))
 OR { 2355}
   (( segid "A   " and resid 16   and name HD3 ))
   (( segid "A   " and resid 16   and name HE3 ))
 OR { 2355}
   (( segid "A   " and resid 60   and name HD2 ))
   (( segid "A   " and resid 60   and name HE2 ))
 ASSI { 2370}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 6    and name HE3 ))
      3.400     1.400     1.400 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.17473E-02 ppm1      2.051 ppm2      2.931 CV     1
 OR { 2370}
   (( segid "A   " and resid 5    and name HB3 ))
   (( segid "A   " and resid 6    and name HE2 ))
 OR { 2370}
   (( segid "A   " and resid 5    and name HB2 ))
   (( segid "A   " and resid 6    and name HE3 ))
 OR { 2370}
   (( segid "A   " and resid 5    and name HB2 ))
   (( segid "A   " and resid 6    and name HE2 ))
 OR { 2370}
   (( segid "A   " and resid 123  and name HB3 ))
   (( segid "A   " and resid 28   and name HE2 ))
 ASSI { 2374}
   (( segid "A   " and resid 56   and name HD3 ))
   (  segid "A   " and resid 51   and name HD1%)
      4.800     2.800     1.200 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.75361E-03 ppm1      1.186 ppm2      0.352 CV     1
 OR { 2374}
   (( segid "A   " and resid 56   and name HD3 ))
   (  segid "A   " and resid 42   and name HD2%)
 ASSI { 2401}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 119  and name HB2 ))
      3.700     1.700     1.700 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.11856E-02 ppm1      2.624 ppm2      1.837 CV     1
 OR { 2401}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 25   and name HB3 ))
 ASSI { 2486}
   (( segid "A   " and resid 52   and name HB2 ))
   (( segid "A   " and resid 52   and name HE3 ))
      3.900     1.900     1.900 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.22941E-02 ppm1      1.822 ppm2      2.931 CV     1
 OR { 2486}
   (( segid "A   " and resid 52   and name HB3 ))
   (( segid "A   " and resid 52   and name HE3 ))
 OR { 2486}
   (( segid "A   " and resid 16   and name HB3 ))
   (( segid "A   " and resid 16   and name HE2 ))
 OR { 2486}
   (( segid "A   " and resid 16   and name HB3 ))
   (( segid "A   " and resid 16   and name HE3 ))
 OR { 2486}
   (( segid "A   " and resid 16   and name HB2 ))
   (( segid "A   " and resid 16   and name HE3 ))
 OR { 2486}
   (( segid "A   " and resid 52   and name HB3 ))
   (( segid "A   " and resid 52   and name HE2 ))
 OR { 2486}
   (( segid "A   " and resid 52   and name HB2 ))
   (( segid "A   " and resid 52   and name HE2 ))
 ASSI { 2509}
   (( segid "A   " and resid 54   and name HG2 ))
   (  segid "A   " and resid 54   and name HE% )
      3.000     1.100     1.100 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.19061E-02 ppm1      2.522 ppm2      1.485 CV     1
 OR { 2509}
   (( segid "A   " and resid 54   and name HG2 ))
   (  segid "A   " and resid 53   and name HB% )
 ASSI { 2513}
   (( segid "A   " and resid 54   and name HG3 ))
   (  segid "A   " and resid 53   and name HB% )
      3.200     1.300     1.300 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      2.776 ppm2      1.485 CV     1
 OR { 2513}
   (( segid "A   " and resid 54   and name HG3 ))
   (  segid "A   " and resid 54   and name HE% )
 ASSI { 2521}
   (( segid "A   " and resid 87   and name HB  ))
   (( segid "A   " and resid 87   and name HN  ))
      3.900     1.900     1.900 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.87169E-03 ppm1      1.848 ppm2      9.144 CV     1
 OR { 2521}
   (( segid "A   " and resid 87   and name HB  ))
   (( segid "A   " and resid 43   and name HN  ))
 ASSI { 2554}
   (( segid "A   " and resid 108  and name HB2 ))
   (( segid "A   " and resid 82   and name HA  ))
      3.200     1.200     1.200 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.12747E-02 ppm1      1.810 ppm2      4.142 CV     1
 OR { 2554}
   (( segid "A   " and resid 108  and name HB3 ))
   (( segid "A   " and resid 84   and name HD3 ))
 OR { 2554}
   (( segid "A   " and resid 108  and name HB2 ))
   (( segid "A   " and resid 84   and name HD3 ))
 ASSI { 2557}
   (( segid "A   " and resid 85   and name HB  ))
   (  segid "A   " and resid 85   and name HG2%)
      2.600     0.900     0.900 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.30194E-02 ppm1      1.962 ppm2      0.782 CV     1
 OR { 2557}
   (( segid "A   " and resid 85   and name HB  ))
   (  segid "A   " and resid 86   and name HG1%)
 ASSI { 2559}
   (( segid "A   " and resid 114  and name HG3 ))
   (( segid "A   " and resid 114  and name HB2 ))
      2.200     0.600     0.600 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.54750E-02 ppm1      2.204 ppm2      1.837 CV     1
 OR { 2559}
   (( segid "A   " and resid 114  and name HG3 ))
   (  segid "A   " and resid 24   and name HE% )
 ASSI { 2580}
   (( segid "A   " and resid 61   and name HB2 ))
   (( segid "A   " and resid 60   and name HB3 ))
      4.000     2.000     2.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.66000E-03 ppm1      2.751 ppm2      1.837 CV     1
 OR { 2580}
   (( segid "A   " and resid 61   and name HB2 ))
   (( segid "A   " and resid 60   and name HB2 ))
 OR { 2580}
   (( segid "A   " and resid 61   and name HB2 ))
   (( segid "A   " and resid 40   and name HB  ))
 ASSI { 2611}
   (( segid "A   " and resid 40   and name HB  ))
   (  segid "A   " and resid 40   and name HD1%)
      2.700     0.900     0.900 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.35633E-02 ppm1      1.822 ppm2      0.782 CV     1
 OR { 2611}
   (( segid "A   " and resid 40   and name HB  ))
   (  segid "A   " and resid 34   and name HD2%)
 ASSI { 2612}
   (( segid "A   " and resid 49   and name HB3 ))
   (( segid "A   " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.11940E-02 ppm1      2.738 ppm2      4.299 CV     1
 OR { 2612}
   (( segid "A   " and resid 49   and name HB3 ))
   (( segid "B   " and resid 49   and name HA  ))
 ASSI { 2613}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 49   and name HA  ))
      3.400     1.500     1.500 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      2.624 ppm2      4.299 CV     1
 OR { 2613}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "B   " and resid 49   and name HA  ))
 ASSI { 2630}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      1.771 ppm2      4.416 CV     1
 OR { 2630}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 126  and name HA  ))
 ASSI { 2633}
   (( segid "A   " and resid 129  and name HB3 ))
   (( segid "A   " and resid 129  and name HA  ))
      2.700     0.900     0.900 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.48232E-02 ppm1      2.776 ppm2      4.377 CV     1
 OR { 2633}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 126  and name HA  ))
 ASSI { 2678}
   (( segid "A   " and resid 21   and name HB2 ))
   (( segid "A   " and resid 100  and name HA  ))
      3.600     1.600     1.600 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.13852E-02 ppm1      2.496 ppm2      4.103 CV     1
 OR { 2678}
   (( segid "A   " and resid 21   and name HB2 ))
   (( segid "A   " and resid 18   and name HA  ))
 ASSI { 2682}
   (( segid "A   " and resid 51   and name HB3 ))
   (( segid "A   " and resid 56   and name HG2 ))
      3.400     1.400     1.400 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      1.479 ppm2      0.977 CV     1
 OR { 2682}
   (( segid "A   " and resid 121  and name HB2 ))
   (  segid "A   " and resid 121  and name HD2%)
 ASSI { 2684}
   (( segid "A   " and resid 42   and name HB2 ))
   (  segid "A   " and resid 42   and name HD1%)
      2.700     0.900     0.900 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.15477E-02 ppm1      1.479 ppm2      0.235 CV     1
 OR { 2684}
   (( segid "A   " and resid 51   and name HB3 ))
   (  segid "A   " and resid 51   and name HD2%)
 ASSI { 2709}
   (( segid "A   " and resid 103  and name HD2 ))
   (( segid "A   " and resid 103  and name HG3 ))
      2.500     0.800     0.800 peak  2709 spectrum    1 weight  0.10000E+01 volume  0.55965E-02 ppm1      3.272 ppm2      1.915 CV     1
 OR { 2709}
   (( segid "A   " and resid 103  and name HD2 ))
   (( segid "A   " and resid 100  and name HB2 ))
 ASSI { 2792}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 56   and name HB2 ))
      3.100     1.200     1.200 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.82249E-03 ppm1      3.209 ppm2      1.173 CV     1
 OR { 2792}
   (( segid "A   " and resid 57   and name HD3 ))
   (( segid "A   " and resid 57   and name HG3 ))
 OR { 2792}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HG3 ))
 OR { 2792}
   (( segid "A   " and resid 57   and name HD3 ))
   (( segid "A   " and resid 56   and name HB2 ))
 ASSI { 2861}
   (( segid "A   " and resid 112  and name HA  ))
   (  segid "A   " and resid 86   and name HG2%)
      2.900     1.000     1.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.31158E-02 ppm1      5.396 ppm2      0.821 CV     1
 OR { 2861}
   (( segid "A   " and resid 112  and name HA  ))
   (  segid "A   " and resid 87   and name HG1%)
 ASSI { 2875}
   (( segid "A   " and resid 24   and name HA  ))
   (  segid "A   " and resid 24   and name HE% )
      2.900     1.000     1.000 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.25197E-02 ppm1      5.205 ppm2      1.837 CV     1
 OR { 2875}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 114  and name HB2 ))
 OR { 2875}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 25   and name HB3 ))
 ASSI { 2881}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 24   and name HG2 ))
      3.800     1.800     1.800 peak  2881 spectrum    1 weight  0.10000E+01 volume  0.62743E-03 ppm1      5.231 ppm2      2.657 CV     1
 OR { 2881}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 112  and name HB2 ))
 ASSI { 2894}
   (( segid "A   " and resid 56   and name HA  ))
   (  segid "A   " and resid 51   and name HD2%)
      4.700     2.800     1.300 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.89314E-03 ppm1      4.480 ppm2      0.235 CV     1
 OR { 2894}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 57   and name HB2 ))
 ASSI { 2895}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.31287E-02 ppm1      4.468 ppm2      1.173 CV     1
 OR { 2895}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 57   and name HG3 ))
 ASSI { 2917}
   (( segid "A   " and resid 98   and name HA  ))
   (( segid "A   " and resid 98   and name HN  ))
      3.100     1.200     1.200 peak  2917 spectrum    1 weight  0.10000E+01 volume  0.12571E-02 ppm1      4.430 ppm2      8.870 CV     1
 OR { 2917}
   (( segid "A   " and resid 98   and name HA  ))
   (( segid "A   " and resid 99   and name HN  ))
 ASSI { 2924}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 55   and name HA2 ))
      3.500     1.500     1.500 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.13323E-02 ppm1      4.671 ppm2      4.299 CV     1
 OR { 2924}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 121  and name HA  ))
 ASSI { 2927}
   (( segid "A   " and resid 18   and name HA  ))
   (  segid "A   " and resid 15   and name HG1%)
      4.100     2.100     1.900 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.10213E-02 ppm1      4.112 ppm2      0.782 CV     1
 OR { 2927}
   (( segid "A   " and resid 18   and name HA  ))
   (  segid "A   " and resid 87   and name HG2%)
 ASSI { 2929}
   (( segid "A   " and resid 42   and name HA  ))
   (  segid "A   " and resid 86   and name HG2%)
      4.200     2.200     1.800 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.82341E-03 ppm1      5.040 ppm2      0.821 CV     1
 OR { 2929}
   (( segid "A   " and resid 42   and name HA  ))
   (  segid "A   " and resid 41   and name HG2%)
 OR { 2929}
   (( segid "A   " and resid 42   and name HA  ))
   (  segid "A   " and resid 87   and name HG1%)
 ASSI { 2941}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.11169E-02 ppm1      4.099 ppm2      2.501 CV     1
 OR { 2941}
   (( segid "A   " and resid 18   and name HA  ))
   (( segid "A   " and resid 22   and name HG2 ))
 OR { 2941}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 21   and name HB2 ))
 ASSI { 2943}
   (( segid "A   " and resid 95   and name HA  ))
   (( segid "A   " and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  2943 spectrum    1 weight  0.10000E+01 volume  0.82119E-03 ppm1      3.705 ppm2      8.870 CV     1
 OR { 2943}
   (( segid "A   " and resid 95   and name HA  ))
   (( segid "A   " and resid 99   and name HN  ))
 ASSI { 2952}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.71248E-02 ppm1      4.099 ppm2      1.837 CV     1
 OR { 2952}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 16   and name HB3 ))
 OR { 2952}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 16   and name HB3 ))
 OR { 2952}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 12   and name HB3 ))
 OR { 2952}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 16   and name HB2 ))
 ASSI { 2959}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "A   " and resid 63   and name HE2 ))
      4.500     2.500     1.500 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.92536E-03 ppm1      4.239 ppm2      3.009 CV     1
 OR { 2959}
   (( segid "A   " and resid 63   and name HA  ))
   (( segid "A   " and resid 63   and name HE3 ))
 OR { 2959}
   (( segid "A   " and resid 63   and name HA  ))
   (( segid "A   " and resid 63   and name HE2 ))
 ASSI { 2970}
   (( segid "A   " and resid 111  and name HA  ))
   (  segid "A   " and resid 23   and name HG2%)
      3.700     1.700     1.700 peak  2970 spectrum    1 weight  0.10000E+01 volume  0.21874E-02 ppm1      5.765 ppm2      0.821 CV     1
 OR { 2970}
   (( segid "A   " and resid 111  and name HA  ))
   (  segid "A   " and resid 86   and name HG2%)
 ASSI { 2972}
   (( segid "A   " and resid 30   and name HA  ))
   (  segid "A   " and resid 34   and name HD1%)
      3.800     1.800     1.800 peak  2972 spectrum    1 weight  0.10000E+01 volume  0.10231E-02 ppm1      3.946 ppm2      0.938 CV     1
 OR { 2972}
   (( segid "A   " and resid 30   and name HA  ))
   (  segid "A   " and resid 25   and name HD2%)
 ASSI { 2974}
   (( segid "A   " and resid 30   and name HA  ))
   (  segid "A   " and resid 33   and name HD1%)
      2.500     0.800     0.800 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.30378E-02 ppm1      3.946 ppm2      0.587 CV     1
 OR { 2974}
   (( segid "A   " and resid 30   and name HA  ))
   (  segid "A   " and resid 25   and name HD1%)
 ASSI { 3005}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.40060E-02 ppm1      4.290 ppm2      2.657 CV     1
 OR { 3005}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "B   " and resid 49   and name HB2 ))
 ASSI { 3017}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.10723E-01 ppm1      4.124 ppm2      1.915 CV     1
 OR { 3017}
   (( segid "A   " and resid 82   and name HA  ))
   (( segid "A   " and resid 82   and name HB2 ))
 ASSI { 3025}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 114  and name HB2 ))
      3.500     1.600     1.600 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.12292E-02 ppm1      4.709 ppm2      1.798 CV     1
 OR { 3025}
   (( segid "A   " and resid 26   and name HA  ))
   (  segid "A   " and resid 24   and name HE% )
 ASSI { 3039}
   (( segid "A   " and resid 62   and name HA  ))
   (( segid "A   " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.34361E-02 ppm1      4.849 ppm2      8.480 CV     1
 OR { 3039}
   (( segid "A   " and resid 62   and name HA  ))
   (( segid "A   " and resid 42   and name HN  ))
 ASSI { 3057}
   (( segid "A   " and resid 127  and name HA  ))
   (( segid "A   " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.88006E-03 ppm1      5.129 ppm2      4.377 CV     1
 OR { 3057}
   (( segid "A   " and resid 127  and name HA  ))
   (( segid "A   " and resid 126  and name HA  ))
 ASSI { 3081}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak  3081 spectrum    1 weight  0.10000E+01 volume  0.52288E-02 ppm1      3.883 ppm2      1.446 CV     1
 OR { 3081}
   (( segid "A   " and resid 97   and name HA  ))
   (  segid "A   " and resid 96   and name HB% )
 OR { 3081}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 60   and name HG2 ))
 ASSI { 3084}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 40   and name HB  ))
      1.900     0.500     0.500 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.20490E-01 ppm1      3.857 ppm2      1.837 CV     1
 OR { 3084}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 35   and name HB2 ))
 OR { 3084}
   (( segid "A   " and resid 114  and name HA  ))
   (( segid "A   " and resid 114  and name HB2 ))
 OR { 3084}
   (( segid "A   " and resid 114  and name HA  ))
   (  segid "A   " and resid 24   and name HE% )
 ASSI { 3092}
   (( segid "A   " and resid 114  and name HA  ))
   (( segid "A   " and resid 24   and name HB3 ))
      3.600     1.700     1.700 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.28883E-02 ppm1      3.845 ppm2      2.189 CV     1
 OR { 3092}
   (( segid "A   " and resid 35   and name HA  ))
   (( segid "A   " and resid 36   and name HG2 ))
 OR { 3092}
   (( segid "A   " and resid 114  and name HA  ))
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI { 3105}
   (( segid "A   " and resid 85   and name HA  ))
   (  segid "A   " and resid 85   and name HG2%)
      3.200     1.200     1.200 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.28390E-02 ppm1      5.256 ppm2      0.782 CV     1
 OR { 3105}
   (( segid "A   " and resid 85   and name HA  ))
   (  segid "A   " and resid 86   and name HG1%)
 OR { 3105}
   (( segid "A   " and resid 85   and name HA  ))
   (  segid "A   " and resid 40   and name HD1%)
 ASSI { 3108}
   (( segid "A   " and resid 7    and name HA  ))
   (  segid "A   " and resid 7    and name HD% )
      3.400     1.400     1.400 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.33264E-02 ppm1      4.976 ppm2      7.464 CV     1
 OR { 3108}
   (( segid "A   " and resid 7    and name HA  ))
   (  segid "B   " and resid 105  and name HD% )
 ASSI { 3117}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 65   and name HA  ))
      4.200     2.200     1.800 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.96186E-03 ppm1      3.501 ppm2      3.791 CV     1
 OR { 3117}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 102  and name HA  ))
 ASSI { 3119}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 50   and name HA  ))
      3.700     1.700     1.700 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.17018E-02 ppm1      3.794 ppm2      4.142 CV     1
 OR { 3119}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 48   and name HA  ))
 ASSI { 3120}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 74   and name HG  ))
      3.300     1.300     1.300 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.97856E-03 ppm1      3.476 ppm2      1.524 CV     1
 OR { 3120}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 63   and name HD2 ))
 ASSI { 3133}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 55   and name HA2 ))
      3.300     1.300     1.300 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.55984E-02 ppm1      3.794 ppm2      4.338 CV     1
 OR { 3133}
   (( segid "A   " and resid 102  and name HA  ))
   (( segid "A   " and resid 105  and name HA  ))
 ASSI { 3142}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 8    and name HB3 ))
      2.300     0.700     0.700 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.59689E-02 ppm1      4.175 ppm2      2.892 CV     1
 OR { 3142}
   (( segid "A   " and resid 5    and name HA  ))
   (( segid "A   " and resid 8    and name HB2 ))
 OR { 3142}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HE2 ))
 ASSI { 3151}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "B   " and resid 49   and name HB2 ))
      2.600     0.800     0.800 peak  3151 spectrum    1 weight  0.10000E+01 volume  0.42438E-02 ppm1      4.124 ppm2      2.657 CV     1
 OR { 3151}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 49   and name HB2 ))
 ASSI { 3159}
   (( segid "A   " and resid 107  and name HA  ))
   (  segid "A   " and resid 85   and name HG2%)
      3.900     1.900     1.900 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.13824E-02 ppm1      4.684 ppm2      0.782 CV     1
 OR { 3159}
   (( segid "A   " and resid 107  and name HA  ))
   (  segid "A   " and resid 110  and name HD1%)
 OR { 3159}
   (( segid "A   " and resid 107  and name HA  ))
   (  segid "A   " and resid 110  and name HG2%)
 ASSI { 3160}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 43   and name HG13))
      2.700     0.900     0.900 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.85062E-03 ppm1      4.379 ppm2      1.290 CV     1
 OR { 3160}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 42   and name HG  ))
 ASSI { 3184}
   (( segid "A   " and resid 110  and name HA  ))
   (  segid "A   " and resid 110  and name HD1%)
      2.700     0.900     0.900 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.63271E-02 ppm1      4.531 ppm2      0.782 CV     1
 OR { 3184}
   (( segid "A   " and resid 110  and name HA  ))
   (  segid "A   " and resid 85   and name HG2%)
 OR { 3184}
   (( segid "A   " and resid 110  and name HA  ))
   (  segid "A   " and resid 110  and name HG2%)
 OR { 3184}
   (( segid "A   " and resid 103  and name HA  ))
   (  segid "A   " and resid 110  and name HD1%)
 OR { 3184}
   (( segid "A   " and resid 103  and name HA  ))
   (  segid "A   " and resid 110  and name HG2%)
 ASSI { 3213}
   (( segid "A   " and resid 87   and name HA  ))
   (  segid "A   " and resid 87   and name HG2%)
      3.400     1.400     1.400 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.20221E-02 ppm1      4.900 ppm2      0.782 CV     1
 OR { 3213}
   (( segid "A   " and resid 87   and name HA  ))
   (  segid "A   " and resid 86   and name HG1%)
 ASSI { 3219}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 76   and name HB2 ))
      3.200     1.200     1.200 peak  3219 spectrum    1 weight  0.10000E+01 volume  0.18058E-02 ppm1      4.073 ppm2      1.642 CV     1
 OR { 3219}
   (( segid "A   " and resid 77   and name HA  ))
   (  segid "A   " and resid 75   and name HB% )
 ASSI { 3220}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 63   and name HB3 ))
      3.500     1.600     1.600 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.17584E-02 ppm1      4.086 ppm2      1.407 CV     1
 OR { 3220}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 79   and name HG  ))
 ASSI { 3221}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "A   " and resid 43   and name HN  ))
      3.000     1.200     1.200 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.85674E-03 ppm1      4.913 ppm2      9.144 CV     1
 OR { 3221}
   (( segid "A   " and resid 87   and name HA  ))
   (( segid "A   " and resid 87   and name HN  ))
 ASSI { 3241}
   (( segid "A   " and resid 84   and name HA  ))
   (  segid "A   " and resid 85   and name HG2%)
      3.700     1.700     1.700 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.16340E-02 ppm1      5.078 ppm2      0.782 CV     1
 OR { 3241}
   (( segid "A   " and resid 84   and name HA  ))
   (  segid "A   " and resid 40   and name HD1%)
 ASSI { 3243}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 83   and name HA  ))
      3.900     1.900     1.900 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.12144E-02 ppm1      4.302 ppm2      4.846 CV     1
 OR { 3243}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 86   and name HA  ))
 ASSI { 3244}
   (( segid "A   " and resid 71   and name HA  ))
   (  segid "A   " and resid 74   and name HD1%)
      3.900     1.900     1.900 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.15486E-02 ppm1      3.310 ppm2     -0.078 CV     1
 OR { 3244}
   (( segid "A   " and resid 71   and name HA  ))
   (  segid "A   " and resid 102  and name HD2%)
 ASSI { 3246}
   (( segid "A   " and resid 84   and name HA  ))
   (( segid "A   " and resid 109  and name HA  ))
      4.200     2.200     1.800 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.75239E-03 ppm1      5.091 ppm2      4.299 CV     1
 OR { 3246}
   (( segid "A   " and resid 84   and name HA  ))
   (( segid "A   " and resid 108  and name HA  ))
 ASSI { 3248}
   (( segid "A   " and resid 26   and name HB2 ))
   (( segid "A   " and resid 27   and name HB2 ))
      4.000     2.000     2.000 peak  3248 spectrum    1 weight  0.10000E+01 volume  0.99248E-03 ppm1      4.086 ppm2      1.642 CV     1
 OR { 3248}
   (( segid "A   " and resid 26   and name HB2 ))
   (  segid "A   " and resid 30   and name HB% )
 ASSI { 3255}
   (( segid "A   " and resid 41   and name HA  ))
   (  segid "A   " and resid 41   and name HG2%)
      2.000     0.500     0.500 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.11531E-01 ppm1      4.252 ppm2      0.821 CV     1
 OR { 3255}
   (( segid "A   " and resid 23   and name HA  ))
   (  segid "A   " and resid 23   and name HG2%)
 ASSI { 3271}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 120  and name HH2 ))
      3.300     1.300     1.300 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.16842E-02 ppm1      4.099 ppm2      6.838 CV     1
 OR { 3271}
   (( segid "A   " and resid 31   and name HA  ))
   (  segid "A   " and resid 31   and name HE% )
 ASSI { 3306}
   (( segid "A   " and resid 81   and name HA  ))
   (  segid "A   " and resid 107  and name HD% )
      3.200     1.300     1.300 peak  3306 spectrum    1 weight  0.10000E+01 volume  0.13685E-02 ppm1      3.539 ppm2      7.581 CV     1
 OR { 3306}
   (( segid "A   " and resid 81   and name HA  ))
   (  segid "B   " and resid 7    and name HE% )
 ASSI { 3314}
   (( segid "A   " and resid 77   and name HB2 ))
   (( segid "A   " and resid 79   and name HA  ))
      4.200     2.200     1.800 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1      3.654 ppm2      4.260 CV     1
 OR { 3314}
   (( segid "A   " and resid 77   and name HB3 ))
   (( segid "A   " and resid 79   and name HA  ))
 OR { 3314}
   (( segid "A   " and resid 77   and name HB3 ))
   (( segid "A   " and resid 63   and name HA  ))
 OR { 3314}
   (( segid "A   " and resid 77   and name HB2 ))
   (( segid "A   " and resid 63   and name HA  ))
 ASSI { 3329}
   (( segid "A   " and resid 27   and name HA  ))
   (  segid "A   " and resid 30   and name HB% )
      2.600     0.800     0.800 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.45278E-02 ppm1      4.557 ppm2      1.642 CV     1
 OR { 3329}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 27   and name HB2 ))
 ASSI { 3344}
   (( segid "A   " and resid 15   and name HA  ))
   (  segid "A   " and resid 18   and name HB% )
      2.800     1.000     1.000 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      3.259 ppm2      1.407 CV     1
 OR { 3344}
   (( segid "A   " and resid 15   and name HA  ))
   (  segid "A   " and resid 17   and name HB% )
 ASSI { 3362}
   (( segid "A   " and resid 41   and name HB  ))
   (( segid "A   " and resid 43   and name HG13))
      4.300     2.300     1.700 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.65388E-03 ppm1      3.616 ppm2      1.290 CV     1
 OR { 3362}
   (( segid "A   " and resid 41   and name HB  ))
   (( segid "A   " and resid 63   and name HG3 ))
 ASSI { 3365}
   (( segid "A   " and resid 41   and name HB  ))
   (( segid "A   " and resid 79   and name HA  ))
      4.200     2.200     1.800 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.12487E-02 ppm1      3.616 ppm2      4.260 CV     1
 OR { 3365}
   (( segid "A   " and resid 41   and name HB  ))
   (( segid "A   " and resid 63   and name HA  ))
 ASSI { 1537}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 19   and name HA  ))
      2.600     0.800     0.800 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.74925E-02 ppm1      1.810 ppm2      3.830 CV     1
 OR { 1537}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 96   and name HA  ))
 ASSI { 1550}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 34   and name HA  ))
      4.200     2.200     1.800 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.10500E-02 ppm1      0.779 ppm2      3.869 CV     1
 OR { 1550}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 33   and name HA  ))
 ASSI { 1551}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 40   and name HG13))
      2.500     0.800     0.800 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.43924E-02 ppm1      0.779 ppm2      1.720 CV     1
 OR { 1551}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 33   and name HB3 ))
 ASSI { 1553}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 85   and name HA  ))
      4.600     2.600     1.400 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.85907E-03 ppm1      0.767 ppm2      5.275 CV     1
 OR { 1553}
   (  segid "B   " and resid 40   and name HD1%)
   (( segid "B   " and resid 37   and name HA  ))
 ASSI { 1556}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 41   and name HB  ))
      3.800     1.800     1.800 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.14771E-02 ppm1      0.449 ppm2      3.634 CV     1
 OR { 1556}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 77   and name HB2 ))
 OR { 1556}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 77   and name HB3 ))
 ASSI { 1563}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 86   and name HN  ))
      3.600     1.600     1.600 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.11373E-02 ppm1      0.449 ppm2      8.753 CV     1
 OR { 1563}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 102  and name HN  ))
 ASSI { 1566}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "B   " and resid 85   and name HG2%)
      2.400     0.700     0.700 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.15208E-01 ppm1      0.449 ppm2      0.782 CV     1
 OR { 1566}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "B   " and resid 41   and name HG2%)
 OR { 1566}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "B   " and resid 110  and name HD1%)
 ASSI { 1581}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 103  and name HG3 ))
      3.200     1.300     1.300 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.39467E-02 ppm1      0.754 ppm2      1.915 CV     1
 OR { 1581}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 22   and name HB2 ))
 ASSI { 1607}
   (  segid "B   " and resid 30   and name HB% )
   (( segid "B   " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.18262E-02 ppm1      1.606 ppm2      4.728 CV     1
 OR { 1607}
   (  segid "B   " and resid 30   and name HB% )
   (( segid "B   " and resid 113  and name HA  ))
 ASSI { 1627}
   (  segid "B   " and resid 43   and name HG2%)
   (  segid "B   " and resid 45   and name HG1%)
      2.400     0.700     0.700 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.89481E-02 ppm1      0.474 ppm2      0.860 CV     1
 OR { 1627}
   (  segid "B   " and resid 43   and name HG2%)
   (  segid "B   " and resid 87   and name HG1%)
 ASSI { 1629}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 64   and name HA  ))
      4.100     2.100     1.900 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.62334E-03 ppm1      0.474 ppm2      5.041 CV     1
 OR { 1629}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 42   and name HA  ))
 ASSI { 1634}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 21   and name HB3 ))
      3.900     1.900     1.900 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.98414E-03 ppm1      1.479 ppm2      2.931 CV     1
 OR { 1634}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 24   and name HG3 ))
 ASSI { 1641}
   (  segid "B   " and resid 45   and name HG2%)
   (  segid "B   " and resid 98   and name HB% )
      3.100     1.200     1.200 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.25262E-02 ppm1      0.678 ppm2      1.329 CV     1
 OR { 1641}
   (  segid "B   " and resid 45   and name HG2%)
   (( segid "B   " and resid 65   and name HB2 ))
 ASSI { 1647}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 89   and name HA  ))
      4.200     2.200     1.800 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.85712E-03 ppm1      1.123 ppm2      4.924 CV     1
 OR { 1647}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 87   and name HA  ))
 ASSI { 1651}
   (  segid "B   " and resid 13   and name HB% )
   (( segid "B   " and resid 12   and name HB3 ))
      2.800     1.000     1.000 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.76103E-02 ppm1      1.530 ppm2      1.837 CV     1
 OR { 1651}
   (  segid "B   " and resid 13   and name HB% )
   (( segid "B   " and resid 16   and name HB2 ))
 OR { 1651}
   (  segid "B   " and resid 13   and name HB% )
   (( segid "B   " and resid 16   and name HB3 ))
 ASSI { 1661}
   (  segid "B   " and resid 17   and name HB% )
   (( segid "B   " and resid 17   and name HA  ))
      1.900     0.400     0.400 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.33367E-01 ppm1      1.415 ppm2      4.103 CV     1
 OR { 1661}
   (  segid "B   " and resid 18   and name HB% )
   (( segid "B   " and resid 18   and name HA  ))
 ASSI { 1685}
   (  segid "B   " and resid 98   and name HB% )
   (  segid "B   " and resid 87   and name HG1%)
      2.300     0.700     0.700 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.61592E-02 ppm1      1.326 ppm2      0.860 CV     1
 OR { 1685}
   (  segid "B   " and resid 98   and name HB% )
   (  segid "B   " and resid 45   and name HG1%)
 ASSI { 1688}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 99   and name HA2 ))
      3.600     1.600     1.600 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.25299E-02 ppm1      0.792 ppm2      3.556 CV     1
 OR { 1688}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 99   and name HA1 ))
 OR { 1688}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 99   and name HA1 ))
 ASSI { 1696}
   (  segid "B   " and resid 98   and name HB% )
   (( segid "B   " and resid 70   and name HB3 ))
      3.300     1.400     1.400 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.34556E-02 ppm1      1.339 ppm2      1.681 CV     1
 OR { 1696}
   (  segid "B   " and resid 98   and name HB% )
   (( segid "B   " and resid 97   and name HB2 ))
 ASSI { 1701}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 99   and name HA2 ))
      3.800     1.800     1.800 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.21465E-02 ppm1      0.817 ppm2      3.517 CV     1
 OR { 1701}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 99   and name HA1 ))
 OR { 1701}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 99   and name HA2 ))
 OR { 1701}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 99   and name HA1 ))
 ASSI { 1706}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 110  and name HA  ))
      2.900     1.100     1.100 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.39979E-02 ppm1      0.779 ppm2      4.533 CV     1
 OR { 1706}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 110  and name HA  ))
 OR { 1706}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 103  and name HA  ))
 ASSI { 1709}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.18522E-02 ppm1      0.792 ppm2      4.846 CV     1
 OR { 1709}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 86   and name HA  ))
 ASSI { 1721}
   (  segid "B   " and resid 85   and name HG2%)
   (  segid "B   " and resid 102  and name HD1%)
      2.600     0.800     0.800 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.55010E-02 ppm1      0.779 ppm2      0.157 CV     1
 OR { 1721}
   (  segid "B   " and resid 110  and name HG2%)
   (  segid "B   " and resid 102  and name HD1%)
 ASSI { 1725}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 57   and name HB2 ))
      2.800     1.000     1.000 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.47553E-02 ppm1      0.665 ppm2      0.274 CV     1
 OR { 1725}
   (  segid "B   " and resid 59   and name HG2%)
   (  segid "B   " and resid 42   and name HD1%)
 ASSI { 1726}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 42   and name HN  ))
      3.400     1.400     1.400 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.16303E-02 ppm1      0.665 ppm2      8.480 CV     1
 OR { 1726}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 63   and name HN  ))
 ASSI { 1728}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 112  and name HB2 ))
      3.800     1.800     1.800 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.10148E-02 ppm1      0.817 ppm2      2.657 CV     1
 OR { 1728}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 27   and name HB3 ))
 ASSI { 1730}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 85   and name HA  ))
      4.600     2.600     1.400 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.61722E-03 ppm1      0.830 ppm2      5.236 CV     1
 OR { 1730}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 24   and name HA  ))
 ASSI { 1749}
   (  segid "B   " and resid 45   and name HG1%)
   (( segid "B   " and resid 67   and name HA  ))
      3.200     1.300     1.300 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.13973E-02 ppm1      0.843 ppm2      3.712 CV     1
 OR { 1749}
   (  segid "B   " and resid 45   and name HG1%)
   (( segid "B   " and resid 95   and name HA  ))
 ASSI { 1750}
   (  segid "B   " and resid 45   and name HG1%)
   (( segid "B   " and resid 65   and name HB2 ))
      2.400     0.700     0.700 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.50851E-02 ppm1      0.843 ppm2      1.329 CV     1
 OR { 1750}
   (  segid "B   " and resid 45   and name HG1%)
   (  segid "B   " and resid 98   and name HB% )
 ASSI { 1770}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 86   and name HN  ))
      3.900     1.900     1.900 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.20267E-02 ppm1      0.767 ppm2      8.753 CV     1
 OR { 1770}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 102  and name HN  ))
 OR { 1770}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 45   and name HN  ))
 ASSI { 1774}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 87   and name HN  ))
      2.900     1.100     1.100 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.41593E-02 ppm1      0.843 ppm2      9.144 CV     1
 OR { 1774}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 43   and name HN  ))
 ASSI { 1779}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 86   and name HN  ))
      3.400     1.500     1.500 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.17176E-02 ppm1      0.843 ppm2      8.753 CV     1
 OR { 1779}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 102  and name HN  ))
 OR { 1779}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 45   and name HN  ))
 ASSI { 1783}
   (  segid "B   " and resid 23   and name HG1%)
   (  segid "B   " and resid 30   and name HB% )
      4.000     2.000     2.000 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.17129E-02 ppm1      1.072 ppm2      1.642 CV     1
 OR { 1783}
   (  segid "B   " and resid 23   and name HG1%)
   (( segid "B   " and resid 110  and name HB  ))
 ASSI { 1785}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "B   " and resid 97   and name HB3 ))
      2.700     0.900     0.900 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.11550E-01 ppm1      0.716 ppm2      1.954 CV     1
 OR { 1785}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "A   " and resid 97   and name HB3 ))
 ASSI { 1800}
   (  segid "B   " and resid 23   and name HG1%)
   (( segid "B   " and resid 24   and name HG3 ))
      4.600     2.600     1.400 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.73140E-03 ppm1      1.072 ppm2      2.931 CV     1
 OR { 1800}
   (  segid "B   " and resid 23   and name HG1%)
   (( segid "B   " and resid 29   and name HB3 ))
 ASSI { 1804}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "B   " and resid 100  and name HG2 ))
      2.500     0.800     0.800 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.12450E-01 ppm1      0.716 ppm2      1.407 CV     1
 OR { 1804}
   (  segid "B   " and resid 97   and name HD2%)
   (  segid "B   " and resid 18   and name HB% )
 ASSI { 1805}
   (  segid "B   " and resid 23   and name HG1%)
   (( segid "B   " and resid 25   and name HB3 ))
      3.700     1.700     1.700 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.27843E-02 ppm1      1.072 ppm2      1.837 CV     1
 OR { 1805}
   (  segid "B   " and resid 23   and name HG1%)
   (  segid "B   " and resid 24   and name HE% )
 ASSI { 1815}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.56978E-02 ppm1      0.805 ppm2      8.480 CV     1
 OR { 1815}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 63   and name HN  ))
 ASSI { 1820}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 41   and name HB  ))
      2.200     0.600     0.600 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.75090E-02 ppm1      0.805 ppm2      3.634 CV     1
 OR { 1820}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 77   and name HB3 ))
 ASSI { 1821}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 63   and name HG3 ))
      2.400     0.700     0.700 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.69333E-02 ppm1      0.805 ppm2      1.290 CV     1
 OR { 1821}
   (  segid "B   " and resid 41   and name HG2%)
   (( segid "B   " and resid 43   and name HG13))
 ASSI { 1843}
   (  segid "B   " and resid 102  and name HD2%)
   (( segid "B   " and resid 102  and name HB2 ))
      3.100     1.200     1.200 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.56382E-02 ppm1     -0.098 ppm2      0.782 CV     1
 OR { 1843}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 110  and name HD1%)
 OR { 1843}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 85   and name HG2%)
 ASSI { 1852}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 74   and name HD2%)
      2.000     0.500     0.500 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.11503E-01 ppm1     -0.098 ppm2      0.157 CV     1
 OR { 1852}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 102  and name HD1%)
 ASSI { 1861}
   (  segid "B   " and resid 73   and name HD2%)
   (( segid "B   " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.72575E-02 ppm1      0.805 ppm2      1.642 CV     1
 OR { 1861}
   (  segid "B   " and resid 73   and name HD2%)
   (( segid "B   " and resid 76   and name HB2 ))
 ASSI { 1871}
   (  segid "B   " and resid 74   and name HD2%)
   (  segid "B   " and resid 102  and name HD2%)
      1.900     0.400     0.400 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.15532E-01 ppm1      0.143 ppm2     -0.078 CV     1
 OR { 1871}
   (  segid "B   " and resid 74   and name HD2%)
   (  segid "B   " and resid 74   and name HD1%)
 ASSI { 1882}
   (  segid "B   " and resid 79   and name HD2%)
   (  segid "B   " and resid 102  and name HD1%)
      3.000     1.100     1.100 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.18262E-02 ppm1      0.868 ppm2      0.157 CV     1
 OR { 1882}
   (  segid "B   " and resid 79   and name HD2%)
   (  segid "B   " and resid 74   and name HD2%)
 ASSI { 1887}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "B   " and resid 74   and name HB3 ))
      2.100     0.600     0.600 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.94236E-02 ppm1      0.143 ppm2      1.642 CV     1
 OR { 1887}
   (  segid "B   " and resid 125  and name HD2%)
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI { 1902}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "B   " and resid 101  and name HA  ))
      3.800     1.800     1.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.10640E-02 ppm1      0.131 ppm2      4.103 CV     1
 OR { 1902}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "B   " and resid 81   and name HD3 ))
 OR { 1902}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "B   " and resid 78   and name HA2 ))
 ASSI { 1906}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "B   " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.48156E-02 ppm1      0.143 ppm2      0.547 CV     1
 OR { 1906}
   (  segid "B   " and resid 74   and name HD2%)
   (  segid "B   " and resid 70   and name HD1%)
 ASSI { 1907}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 41   and name HB  ))
      2.900     1.100     1.100 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.31269E-02 ppm1      0.856 ppm2      3.634 CV     1
 OR { 1907}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 77   and name HB2 ))
 OR { 1907}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 77   and name HB3 ))
 ASSI { 1913}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 42   and name HG  ))
      3.300     1.400     1.400 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.63756E-02 ppm1      0.741 ppm2      1.329 CV     1
 OR { 1913}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 42   and name HG  ))
 ASSI { 1919}
   (  segid "B   " and resid 85   and name HG1%)
   (( segid "B   " and resid 110  and name HB  ))
      3.700     1.800     1.800 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.18448E-02 ppm1      1.046 ppm2      1.642 CV     1
 OR { 1919}
   (  segid "B   " and resid 85   and name HG1%)
   (  segid "B   " and resid 30   and name HB% )
 ASSI { 1922}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 87   and name HA  ))
      3.400     1.500     1.500 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.37973E-02 ppm1      0.741 ppm2      4.924 CV     1
 OR { 1922}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 87   and name HA  ))
 ASSI { 1924}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 43   and name HN  ))
      3.400     1.400     1.400 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.31688E-02 ppm1      0.741 ppm2      9.144 CV     1
 OR { 1924}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 87   and name HN  ))
 ASSI { 1925}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 84   and name HG3 ))
      4.200     2.200     1.800 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.11577E-02 ppm1      0.741 ppm2      2.189 CV     1
 OR { 1925}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 84   and name HG3 ))
 OR { 1925}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 126  and name HG3 ))
 OR { 1925}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 27   and name HG3 ))
 OR { 1925}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 36   and name HG2 ))
 OR { 1925}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 36   and name HG3 ))
 OR { 1925}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 126  and name HB2 ))
 ASSI { 1930}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.97948E-02 ppm1      0.550 ppm2      3.869 CV     1
 OR { 1930}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 33   and name HA  ))
 ASSI { 1939}
   (  segid "B   " and resid 85   and name HG1%)
   (  segid "B   " and resid 85   and name HG2%)
      2.000     0.500     0.500 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.19553E-01 ppm1      1.046 ppm2      0.782 CV     1
 OR { 1939}
   (  segid "B   " and resid 85   and name HG1%)
   (  segid "B   " and resid 41   and name HG2%)
 ASSI { 1947}
   (  segid "B   " and resid 70   and name HD1%)
   (  segid "B   " and resid 74   and name HD1%)
      2.500     0.800     0.800 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.51435E-02 ppm1      0.538 ppm2     -0.078 CV     1
 OR { 1947}
   (  segid "B   " and resid 70   and name HD1%)
   (  segid "B   " and resid 102  and name HD2%)
 ASSI { 1952}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 48   and name HB3 ))
      3.600     1.600     1.600 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.20750E-02 ppm1      0.232 ppm2      2.618 CV     1
 OR { 1952}
   (  segid "B   " and resid 51   and name HD2%)
   (( segid "B   " and resid 56   and name HE3 ))
 ASSI { 1956}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 70   and name HB2 ))
      1.900     0.500     0.500 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.10073E-01 ppm1      0.550 ppm2      1.446 CV     1
 OR { 1956}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 33   and name HB2 ))
 ASSI { 1957}
   (  segid "B   " and resid 86   and name HG1%)
   (  segid "B   " and resid 30   and name HB% )
      2.300     0.700     0.700 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.73679E-02 ppm1      0.754 ppm2      1.642 CV     1
 OR { 1957}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 34   and name HB2 ))
 ASSI { 1958}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 70   and name HB3 ))
      2.600     0.900     0.900 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.12627E-01 ppm1      0.538 ppm2      1.642 CV     1
 OR { 1958}
   (  segid "B   " and resid 33   and name HD1%)
   (  segid "B   " and resid 30   and name HB% )
 OR { 1958}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 74   and name HB3 ))
 ASSI { 1960}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 84   and name HA  ))
      4.400     2.400     1.600 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.79249E-03 ppm1      0.767 ppm2      5.080 CV     1
 OR { 1960}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 25   and name HA  ))
 OR { 1960}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 84   and name HA  ))
 ASSI { 1964}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 40   and name HB  ))
      2.500     0.800     0.800 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.10862E-01 ppm1      0.754 ppm2      1.837 CV     1
 OR { 1964}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 40   and name HB  ))
 OR { 1964}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 25   and name HB3 ))
 ASSI { 1978}
   (  segid "B   " and resid 15   and name HG2%)
   (  segid "B   " and resid 18   and name HB% )
      2.900     1.000     1.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.45224E-02 ppm1      0.436 ppm2      1.446 CV     1
 OR { 1978}
   (  segid "B   " and resid 15   and name HG2%)
   (  segid "B   " and resid 96   and name HB% )
 OR { 1978}
   (  segid "B   " and resid 15   and name HG2%)
   (  segid "B   " and resid 17   and name HB% )
 ASSI { 1997}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.31482E-02 ppm1      0.334 ppm2      4.142 CV     1
 OR { 1997}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 46   and name HA  ))
 ASSI { 2013}
   (  segid "B   " and resid 74   and name HD1%)
   (  segid "B   " and resid 74   and name HD2%)
      2.300     0.700     0.700 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.61657E-02 ppm1     -0.086 ppm2      0.157 CV     1
 OR { 2013}
   (  segid "B   " and resid 74   and name HD1%)
   (  segid "B   " and resid 102  and name HD1%)
 ASSI { 2028}
   (  segid "B   " and resid 97   and name HD1%)
   (  segid "A   " and resid 11   and name HE% )
      3.300     1.300     1.300 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.36727E-02 ppm1      0.996 ppm2      7.190 CV     1
 OR { 2028}
   (  segid "B   " and resid 97   and name HD1%)
   (( segid "B   " and resid 97   and name HN  ))
 ASSI { 2030}
   (( segid "B   " and resid 6    and name HG2 ))
   (( segid "B   " and resid 6    and name HE3 ))
      2.100     0.500     0.500 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.96091E-02 ppm1      1.364 ppm2      2.931 CV     1
 OR { 2030}
   (( segid "B   " and resid 6    and name HG2 ))
   (( segid "B   " and resid 6    and name HE2 ))
 OR { 2030}
   (( segid "B   " and resid 83   and name HG2 ))
   (( segid "B   " and resid 80   and name HB3 ))
 ASSI { 2046}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "B   " and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.25857E-02 ppm1     -0.086 ppm2      0.547 CV     1
 OR { 2046}
   (  segid "B   " and resid 74   and name HD1%)
   (  segid "B   " and resid 70   and name HD1%)
 ASSI { 2064}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 27   and name HG2 ))
      3.700     1.800     1.800 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.13880E-02 ppm1     -0.226 ppm2      1.993 CV     1
 OR { 2064}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 126  and name HG2 ))
 ASSI { 2092}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 62   and name HA  ))
      3.900     1.900     1.900 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.13193E-02 ppm1      0.372 ppm2      4.885 CV     1
 OR { 2092}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 87   and name HA  ))
 ASSI { 2095}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 57   and name HB3 ))
      3.200     1.300     1.300 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.30814E-02 ppm1      0.372 ppm2      0.782 CV     1
 OR { 2095}
   (  segid "B   " and resid 42   and name HD2%)
   (  segid "B   " and resid 34   and name HD2%)
 OR { 2095}
   (  segid "B   " and resid 42   and name HD2%)
   (  segid "B   " and resid 86   and name HG1%)
 ASSI { 2099}
   (  segid "B   " and resid 128  and name HD1%)
   (( segid "B   " and resid 128  and name HG  ))
      2.000     0.500     0.500 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.12775E-01 ppm1      0.639 ppm2      1.173 CV     1
 OR { 2099}
   (  segid "B   " and resid 128  and name HD1%)
   (( segid "B   " and resid 56   and name HD3 ))
 ASSI { 2108}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 31   and name HB3 ))
      4.600     2.600     1.400 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.11930E-02 ppm1      0.360 ppm2      2.892 CV     1
 OR { 2108}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 111  and name HB2 ))
 ASSI { 2114}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 88   and name HD% )
      3.800     1.800     1.800 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.19599E-02 ppm1      0.245 ppm2      6.956 CV     1
 OR { 2114}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 111  and name HD% )
 ASSI { 2119}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.85571E-03 ppm1      0.245 ppm2      9.144 CV     1
 OR { 2119}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 87   and name HN  ))
 ASSI { 2137}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 86   and name HB  ))
      3.900     1.900     1.900 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.17362E-02 ppm1      0.258 ppm2      1.876 CV     1
 OR { 2137}
   (  segid "B   " and resid 42   and name HD1%)
   (( segid "B   " and resid 34   and name HB3 ))
 ASSI { 2142}
   (  segid "B   " and resid 79   and name HD1%)
   (( segid "B   " and resid 77   and name HA  ))
      4.300     2.400     1.700 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.11141E-02 ppm1      0.728 ppm2      4.103 CV     1
 OR { 2142}
   (  segid "B   " and resid 79   and name HD1%)
   (( segid "B   " and resid 78   and name HA2 ))
 ASSI { 2150}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 59   and name HG2%)
      3.300     1.400     1.400 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.61359E-02 ppm1      0.258 ppm2      0.704 CV     1
 OR { 2150}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 40   and name HG2%)
 ASSI { 2153}
   (  segid "B   " and resid 79   and name HD1%)
   (  segid "B   " and resid 102  and name HD1%)
      3.200     1.200     1.200 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.33367E-02 ppm1      0.728 ppm2      0.157 CV     1
 OR { 2153}
   (  segid "B   " and resid 79   and name HD1%)
   (  segid "B   " and resid 74   and name HD2%)
 ASSI { 2162}
   (  segid "B   " and resid 102  and name HD1%)
   (  segid "B   " and resid 102  and name HD2%)
      2.300     0.700     0.700 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.62196E-02 ppm1      0.156 ppm2     -0.078 CV     1
 OR { 2162}
   (  segid "B   " and resid 102  and name HD1%)
   (  segid "B   " and resid 74   and name HD1%)
 ASSI { 2169}
   (  segid "B   " and resid 102  and name HD1%)
   (  segid "B   " and resid 110  and name HD1%)
      2.000     0.500     0.500 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.12627E-01 ppm1      0.156 ppm2      0.782 CV     1
 OR { 2169}
   (  segid "B   " and resid 102  and name HD1%)
   (( segid "B   " and resid 102  and name HB2 ))
 ASSI { 2173}
   (  segid "B   " and resid 70   and name HD2%)
   (  segid "B   " and resid 74   and name HD1%)
      3.600     1.600     1.600 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.42985E-02 ppm1      0.639 ppm2     -0.078 CV     1
 OR { 2173}
   (  segid "B   " and resid 70   and name HD2%)
   (  segid "B   " and resid 102  and name HD2%)
 ASSI { 2174}
   (  segid "B   " and resid 121  and name HD1%)
   (  segid "B   " and resid 54   and name HE% )
      2.600     0.900     0.900 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.40358E-02 ppm1      1.008 ppm2      1.485 CV     1
 OR { 2174}
   (  segid "B   " and resid 121  and name HD1%)
   (( segid "B   " and resid 121  and name HB2 ))
 ASSI { 2205}
   (  segid "B   " and resid 70   and name HD2%)
   (( segid "B   " and resid 70   and name HB3 ))
      2.000     0.500     0.500 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.92842E-02 ppm1      0.639 ppm2      1.642 CV     1
 OR { 2205}
   (  segid "B   " and resid 73   and name HD1%)
   (( segid "B   " and resid 76   and name HB2 ))
 ASSI { 2227}
   (( segid "B   " and resid 103  and name HG2 ))
   (( segid "B   " and resid 103  and name HD3 ))
      2.900     1.100     1.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.30137E-02 ppm1      1.720 ppm2      3.361 CV     1
 OR { 2227}
   (( segid "B   " and resid 40   and name HG13))
   (( segid "B   " and resid 84   and name HD2 ))
 ASSI { 2231}
   (( segid "B   " and resid 125  and name HG  ))
   (( segid "B   " and resid 27   and name HG3 ))
      4.000     2.000     2.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.12812E-02 ppm1      0.652 ppm2      2.228 CV     1
 OR { 2231}
   (( segid "B   " and resid 125  and name HG  ))
   (( segid "B   " and resid 126  and name HB2 ))
 ASSI { 2246}
   (  segid "B   " and resid 73   and name HD1%)
   (( segid "B   " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.23545E-02 ppm1      0.652 ppm2      3.791 CV     1
 OR { 2246}
   (( segid "B   " and resid 125  and name HG  ))
   (( segid "B   " and resid 120  and name HA  ))
 ASSI { 2250}
   (( segid "B   " and resid 110  and name HG12))
   (  segid "B   " and resid 110  and name HG2%)
      2.200     0.600     0.600 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.76939E-02 ppm1      1.301 ppm2      0.782 CV     1
 OR { 2250}
   (( segid "B   " and resid 110  and name HG12))
   (  segid "B   " and resid 110  and name HD1%)
 OR { 2250}
   (( segid "B   " and resid 43   and name HG13))
   (  segid "B   " and resid 41   and name HG2%)
 ASSI { 2268}
   (  segid "B   " and resid 34   and name HD1%)
   (( segid "B   " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.44490E-02 ppm1      0.932 ppm2      1.642 CV     1
 OR { 2268}
   (  segid "B   " and resid 34   and name HD1%)
   (  segid "B   " and resid 30   and name HB% )
 ASSI { 2278}
   (  segid "B   " and resid 34   and name HD1%)
   (  segid "B   " and resid 34   and name HD2%)
      2.200     0.600     0.600 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.96928E-02 ppm1      0.932 ppm2      0.782 CV     1
 OR { 2278}
   (  segid "B   " and resid 34   and name HD1%)
   (  segid "B   " and resid 86   and name HG1%)
 ASSI { 2355}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HE3 ))
      1.700     0.400     0.500 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.40935E-01 ppm1      1.657 ppm2      2.970 CV     1
 OR { 2355}
   (( segid "B   " and resid 16   and name HD3 ))
   (( segid "B   " and resid 16   and name HE2 ))
 OR { 2355}
   (( segid "B   " and resid 60   and name HD2 ))
   (( segid "B   " and resid 60   and name HE3 ))
 OR { 2355}
   (( segid "B   " and resid 16   and name HD2 ))
   (( segid "B   " and resid 16   and name HE3 ))
 OR { 2355}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HE2 ))
 OR { 2355}
   (( segid "B   " and resid 32   and name HD3 ))
   (( segid "B   " and resid 32   and name HE3 ))
 OR { 2355}
   (( segid "B   " and resid 32   and name HD3 ))
   (( segid "B   " and resid 32   and name HE2 ))
 OR { 2355}
   (( segid "B   " and resid 16   and name HD2 ))
   (( segid "B   " and resid 16   and name HE2 ))
 OR { 2355}
   (( segid "B   " and resid 16   and name HD3 ))
   (( segid "B   " and resid 16   and name HE3 ))
 OR { 2355}
   (( segid "B   " and resid 60   and name HD2 ))
   (( segid "B   " and resid 60   and name HE2 ))
 ASSI { 2370}
   (( segid "B   " and resid 5    and name HB3 ))
   (( segid "B   " and resid 6    and name HE3 ))
      3.400     1.400     1.400 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.17473E-02 ppm1      2.051 ppm2      2.931 CV     1
 OR { 2370}
   (( segid "B   " and resid 5    and name HB3 ))
   (( segid "B   " and resid 6    and name HE2 ))
 OR { 2370}
   (( segid "B   " and resid 5    and name HB2 ))
   (( segid "B   " and resid 6    and name HE3 ))
 OR { 2370}
   (( segid "B   " and resid 5    and name HB2 ))
   (( segid "B   " and resid 6    and name HE2 ))
 OR { 2370}
   (( segid "B   " and resid 123  and name HB3 ))
   (( segid "B   " and resid 28   and name HE2 ))
 ASSI { 2374}
   (( segid "B   " and resid 56   and name HD3 ))
   (  segid "B   " and resid 51   and name HD1%)
      4.800     2.800     1.200 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.75361E-03 ppm1      1.186 ppm2      0.352 CV     1
 OR { 2374}
   (( segid "B   " and resid 56   and name HD3 ))
   (  segid "B   " and resid 42   and name HD2%)
 ASSI { 2401}
   (( segid "B   " and resid 27   and name HB3 ))
   (( segid "B   " and resid 119  and name HB2 ))
      3.700     1.700     1.700 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.11856E-02 ppm1      2.624 ppm2      1.837 CV     1
 OR { 2401}
   (( segid "B   " and resid 27   and name HB3 ))
   (( segid "B   " and resid 25   and name HB3 ))
 ASSI { 2486}
   (( segid "B   " and resid 52   and name HB2 ))
   (( segid "B   " and resid 52   and name HE3 ))
      3.900     1.900     1.900 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.22941E-02 ppm1      1.822 ppm2      2.931 CV     1
 OR { 2486}
   (( segid "B   " and resid 52   and name HB3 ))
   (( segid "B   " and resid 52   and name HE3 ))
 OR { 2486}
   (( segid "B   " and resid 16   and name HB3 ))
   (( segid "B   " and resid 16   and name HE2 ))
 OR { 2486}
   (( segid "B   " and resid 16   and name HB3 ))
   (( segid "B   " and resid 16   and name HE3 ))
 OR { 2486}
   (( segid "B   " and resid 16   and name HB2 ))
   (( segid "B   " and resid 16   and name HE3 ))
 OR { 2486}
   (( segid "B   " and resid 52   and name HB3 ))
   (( segid "B   " and resid 52   and name HE2 ))
 OR { 2486}
   (( segid "B   " and resid 52   and name HB2 ))
   (( segid "B   " and resid 52   and name HE2 ))
 ASSI { 2509}
   (( segid "B   " and resid 54   and name HG2 ))
   (  segid "B   " and resid 54   and name HE% )
      3.000     1.100     1.100 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.19061E-02 ppm1      2.522 ppm2      1.485 CV     1
 OR { 2509}
   (( segid "B   " and resid 54   and name HG2 ))
   (  segid "B   " and resid 53   and name HB% )
 ASSI { 2513}
   (( segid "B   " and resid 54   and name HG3 ))
   (  segid "B   " and resid 53   and name HB% )
      3.200     1.300     1.300 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      2.776 ppm2      1.485 CV     1
 OR { 2513}
   (( segid "B   " and resid 54   and name HG3 ))
   (  segid "B   " and resid 54   and name HE% )
 ASSI { 2521}
   (( segid "B   " and resid 87   and name HB  ))
   (( segid "B   " and resid 87   and name HN  ))
      3.900     1.900     1.900 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.87169E-03 ppm1      1.848 ppm2      9.144 CV     1
 OR { 2521}
   (( segid "B   " and resid 87   and name HB  ))
   (( segid "B   " and resid 43   and name HN  ))
 ASSI { 2554}
   (( segid "B   " and resid 108  and name HB2 ))
   (( segid "B   " and resid 82   and name HA  ))
      3.200     1.200     1.200 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.12747E-02 ppm1      1.810 ppm2      4.142 CV     1
 OR { 2554}
   (( segid "B   " and resid 108  and name HB3 ))
   (( segid "B   " and resid 84   and name HD3 ))
 OR { 2554}
   (( segid "B   " and resid 108  and name HB2 ))
   (( segid "B   " and resid 84   and name HD3 ))
 ASSI { 2557}
   (( segid "B   " and resid 85   and name HB  ))
   (  segid "B   " and resid 85   and name HG2%)
      2.600     0.900     0.900 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.30194E-02 ppm1      1.962 ppm2      0.782 CV     1
 OR { 2557}
   (( segid "B   " and resid 85   and name HB  ))
   (  segid "B   " and resid 86   and name HG1%)
 ASSI { 2559}
   (( segid "B   " and resid 114  and name HG3 ))
   (( segid "B   " and resid 114  and name HB2 ))
      2.200     0.600     0.600 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.54750E-02 ppm1      2.204 ppm2      1.837 CV     1
 OR { 2559}
   (( segid "B   " and resid 114  and name HG3 ))
   (  segid "B   " and resid 24   and name HE% )
 ASSI { 2580}
   (( segid "B   " and resid 61   and name HB2 ))
   (( segid "B   " and resid 60   and name HB3 ))
      4.000     2.000     2.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.66000E-03 ppm1      2.751 ppm2      1.837 CV     1
 OR { 2580}
   (( segid "B   " and resid 61   and name HB2 ))
   (( segid "B   " and resid 60   and name HB2 ))
 OR { 2580}
   (( segid "B   " and resid 61   and name HB2 ))
   (( segid "B   " and resid 40   and name HB  ))
 ASSI { 2611}
   (( segid "B   " and resid 40   and name HB  ))
   (  segid "B   " and resid 40   and name HD1%)
      2.700     0.900     0.900 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.35633E-02 ppm1      1.822 ppm2      0.782 CV     1
 OR { 2611}
   (( segid "B   " and resid 40   and name HB  ))
   (  segid "B   " and resid 34   and name HD2%)
 ASSI { 2612}
   (( segid "B   " and resid 49   and name HB3 ))
   (( segid "B   " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.11940E-02 ppm1      2.738 ppm2      4.299 CV     1
 OR { 2612}
   (( segid "B   " and resid 49   and name HB3 ))
   (( segid "A   " and resid 49   and name HA  ))
 ASSI { 2613}
   (( segid "B   " and resid 49   and name HB2 ))
   (( segid "B   " and resid 49   and name HA  ))
      3.400     1.500     1.500 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      2.624 ppm2      4.299 CV     1
 OR { 2613}
   (( segid "B   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 49   and name HA  ))
 ASSI { 2630}
   (( segid "B   " and resid 58   and name HB2 ))
   (( segid "B   " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      1.771 ppm2      4.416 CV     1
 OR { 2630}
   (( segid "B   " and resid 58   and name HB2 ))
   (( segid "B   " and resid 126  and name HA  ))
 ASSI { 2633}
   (( segid "B   " and resid 129  and name HB3 ))
   (( segid "B   " and resid 129  and name HA  ))
      2.700     0.900     0.900 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.48232E-02 ppm1      2.776 ppm2      4.377 CV     1
 OR { 2633}
   (( segid "B   " and resid 58   and name HB3 ))
   (( segid "B   " and resid 126  and name HA  ))
 ASSI { 2678}
   (( segid "B   " and resid 21   and name HB2 ))
   (( segid "B   " and resid 100  and name HA  ))
      3.600     1.600     1.600 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.13852E-02 ppm1      2.496 ppm2      4.103 CV     1
 OR { 2678}
   (( segid "B   " and resid 21   and name HB2 ))
   (( segid "B   " and resid 18   and name HA  ))
 ASSI { 2682}
   (( segid "B   " and resid 51   and name HB3 ))
   (( segid "B   " and resid 56   and name HG2 ))
      3.400     1.400     1.400 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      1.479 ppm2      0.977 CV     1
 OR { 2682}
   (( segid "B   " and resid 121  and name HB2 ))
   (  segid "B   " and resid 121  and name HD2%)
 ASSI { 2684}
   (( segid "B   " and resid 42   and name HB2 ))
   (  segid "B   " and resid 42   and name HD1%)
      2.700     0.900     0.900 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.15477E-02 ppm1      1.479 ppm2      0.235 CV     1
 OR { 2684}
   (( segid "B   " and resid 51   and name HB3 ))
   (  segid "B   " and resid 51   and name HD2%)
 ASSI { 2709}
   (( segid "B   " and resid 103  and name HD2 ))
   (( segid "B   " and resid 103  and name HG3 ))
      2.500     0.800     0.800 peak  2709 spectrum    1 weight  0.10000E+01 volume  0.55965E-02 ppm1      3.272 ppm2      1.915 CV     1
 OR { 2709}
   (( segid "B   " and resid 103  and name HD2 ))
   (( segid "B   " and resid 100  and name HB2 ))
 ASSI { 2792}
   (( segid "B   " and resid 57   and name HD2 ))
   (( segid "B   " and resid 56   and name HB2 ))
      3.100     1.200     1.200 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.82249E-03 ppm1      3.209 ppm2      1.173 CV     1
 OR { 2792}
   (( segid "B   " and resid 57   and name HD3 ))
   (( segid "B   " and resid 57   and name HG3 ))
 OR { 2792}
   (( segid "B   " and resid 57   and name HD2 ))
   (( segid "B   " and resid 57   and name HG3 ))
 OR { 2792}
   (( segid "B   " and resid 57   and name HD3 ))
   (( segid "B   " and resid 56   and name HB2 ))
 ASSI { 2861}
   (( segid "B   " and resid 112  and name HA  ))
   (  segid "B   " and resid 86   and name HG2%)
      2.900     1.000     1.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.31158E-02 ppm1      5.396 ppm2      0.821 CV     1
 OR { 2861}
   (( segid "B   " and resid 112  and name HA  ))
   (  segid "B   " and resid 87   and name HG1%)
 ASSI { 2875}
   (( segid "B   " and resid 24   and name HA  ))
   (  segid "B   " and resid 24   and name HE% )
      2.900     1.000     1.000 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.25197E-02 ppm1      5.205 ppm2      1.837 CV     1
 OR { 2875}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 114  and name HB2 ))
 OR { 2875}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 25   and name HB3 ))
 ASSI { 2881}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 24   and name HG2 ))
      3.800     1.800     1.800 peak  2881 spectrum    1 weight  0.10000E+01 volume  0.62743E-03 ppm1      5.231 ppm2      2.657 CV     1
 OR { 2881}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 112  and name HB2 ))
 ASSI { 2894}
   (( segid "B   " and resid 56   and name HA  ))
   (  segid "B   " and resid 51   and name HD2%)
      4.700     2.800     1.300 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.89314E-03 ppm1      4.480 ppm2      0.235 CV     1
 OR { 2894}
   (( segid "B   " and resid 56   and name HA  ))
   (( segid "B   " and resid 57   and name HB2 ))
 ASSI { 2895}
   (( segid "B   " and resid 56   and name HA  ))
   (( segid "B   " and resid 56   and name HB2 ))
      2.900     1.100     1.100 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.31287E-02 ppm1      4.468 ppm2      1.173 CV     1
 OR { 2895}
   (( segid "B   " and resid 56   and name HA  ))
   (( segid "B   " and resid 57   and name HG3 ))
 ASSI { 2917}
   (( segid "B   " and resid 98   and name HA  ))
   (( segid "B   " and resid 98   and name HN  ))
      3.100     1.200     1.200 peak  2917 spectrum    1 weight  0.10000E+01 volume  0.12571E-02 ppm1      4.430 ppm2      8.870 CV     1
 OR { 2917}
   (( segid "B   " and resid 98   and name HA  ))
   (( segid "B   " and resid 99   and name HN  ))
 ASSI { 2924}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "B   " and resid 55   and name HA2 ))
      3.500     1.500     1.500 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.13323E-02 ppm1      4.671 ppm2      4.299 CV     1
 OR { 2924}
   (( segid "B   " and resid 54   and name HA  ))
   (( segid "B   " and resid 121  and name HA  ))
 ASSI { 2929}
   (( segid "B   " and resid 42   and name HA  ))
   (  segid "B   " and resid 86   and name HG2%)
      4.200     2.200     1.800 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.82341E-03 ppm1      5.040 ppm2      0.821 CV     1
 OR { 2929}
   (( segid "B   " and resid 42   and name HA  ))
   (  segid "B   " and resid 41   and name HG2%)
 OR { 2929}
   (( segid "B   " and resid 42   and name HA  ))
   (  segid "B   " and resid 87   and name HG1%)
 ASSI { 2941}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.11169E-02 ppm1      4.099 ppm2      2.501 CV     1
 OR { 2941}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 22   and name HG2 ))
 OR { 2941}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 21   and name HB2 ))
 ASSI { 2943}
   (( segid "B   " and resid 95   and name HA  ))
   (( segid "B   " and resid 98   and name HN  ))
      3.300     1.400     1.400 peak  2943 spectrum    1 weight  0.10000E+01 volume  0.82119E-03 ppm1      3.705 ppm2      8.870 CV     1
 OR { 2943}
   (( segid "B   " and resid 95   and name HA  ))
   (( segid "B   " and resid 99   and name HN  ))
 ASSI { 2952}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.71248E-02 ppm1      4.099 ppm2      1.837 CV     1
 OR { 2952}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 16   and name HB3 ))
 OR { 2952}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 16   and name HB3 ))
 OR { 2952}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 12   and name HB3 ))
 OR { 2952}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 16   and name HB2 ))
 ASSI { 2959}
   (( segid "B   " and resid 79   and name HA  ))
   (( segid "B   " and resid 63   and name HE2 ))
      4.500     2.500     1.500 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.92536E-03 ppm1      4.239 ppm2      3.009 CV     1
 OR { 2959}
   (( segid "B   " and resid 63   and name HA  ))
   (( segid "B   " and resid 63   and name HE3 ))
 OR { 2959}
   (( segid "B   " and resid 63   and name HA  ))
   (( segid "B   " and resid 63   and name HE2 ))
 ASSI { 2970}
   (( segid "B   " and resid 111  and name HA  ))
   (  segid "B   " and resid 23   and name HG2%)
      3.700     1.700     1.700 peak  2970 spectrum    1 weight  0.10000E+01 volume  0.21874E-02 ppm1      5.765 ppm2      0.821 CV     1
 OR { 2970}
   (( segid "B   " and resid 111  and name HA  ))
   (  segid "B   " and resid 86   and name HG2%)
 ASSI { 2972}
   (( segid "B   " and resid 30   and name HA  ))
   (  segid "B   " and resid 34   and name HD1%)
      3.800     1.800     1.800 peak  2972 spectrum    1 weight  0.10000E+01 volume  0.10231E-02 ppm1      3.946 ppm2      0.938 CV     1
 OR { 2972}
   (( segid "B   " and resid 30   and name HA  ))
   (  segid "B   " and resid 25   and name HD2%)
 ASSI { 2974}
   (( segid "B   " and resid 30   and name HA  ))
   (  segid "B   " and resid 33   and name HD1%)
      2.500     0.800     0.800 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.30378E-02 ppm1      3.946 ppm2      0.587 CV     1
 OR { 2974}
   (( segid "B   " and resid 30   and name HA  ))
   (  segid "B   " and resid 25   and name HD1%)
 ASSI { 3005}
   (( segid "B   " and resid 49   and name HA  ))
   (( segid "B   " and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.40060E-02 ppm1      4.290 ppm2      2.657 CV     1
 OR { 3005}
   (( segid "B   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HB2 ))
 ASSI { 3017}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.10723E-01 ppm1      4.124 ppm2      1.915 CV     1
 OR { 3017}
   (( segid "B   " and resid 82   and name HA  ))
   (( segid "B   " and resid 82   and name HB2 ))
 ASSI { 3025}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 114  and name HB2 ))
      3.500     1.600     1.600 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.12292E-02 ppm1      4.709 ppm2      1.798 CV     1
 OR { 3025}
   (( segid "B   " and resid 26   and name HA  ))
   (  segid "B   " and resid 24   and name HE% )
 ASSI { 3039}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.34361E-02 ppm1      4.849 ppm2      8.480 CV     1
 OR { 3039}
   (( segid "B   " and resid 62   and name HA  ))
   (( segid "B   " and resid 42   and name HN  ))
 ASSI { 3057}
   (( segid "B   " and resid 127  and name HA  ))
   (( segid "B   " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.88006E-03 ppm1      5.129 ppm2      4.377 CV     1
 OR { 3057}
   (( segid "B   " and resid 127  and name HA  ))
   (( segid "B   " and resid 126  and name HA  ))
 ASSI { 3081}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak  3081 spectrum    1 weight  0.10000E+01 volume  0.52288E-02 ppm1      3.883 ppm2      1.446 CV     1
 OR { 3081}
   (( segid "B   " and resid 97   and name HA  ))
   (  segid "B   " and resid 96   and name HB% )
 OR { 3081}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 60   and name HG2 ))
 ASSI { 3084}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 40   and name HB  ))
      1.900     0.500     0.500 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.20490E-01 ppm1      3.857 ppm2      1.837 CV     1
 OR { 3084}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 35   and name HB2 ))
 OR { 3084}
   (( segid "B   " and resid 114  and name HA  ))
   (( segid "B   " and resid 114  and name HB2 ))
 OR { 3084}
   (( segid "B   " and resid 114  and name HA  ))
   (  segid "B   " and resid 24   and name HE% )
 ASSI { 3092}
   (( segid "B   " and resid 114  and name HA  ))
   (( segid "B   " and resid 24   and name HB3 ))
      3.600     1.700     1.700 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.28883E-02 ppm1      3.845 ppm2      2.189 CV     1
 OR { 3092}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 36   and name HG2 ))
 OR { 3092}
   (( segid "B   " and resid 114  and name HA  ))
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI { 3105}
   (( segid "B   " and resid 85   and name HA  ))
   (  segid "B   " and resid 85   and name HG2%)
      3.200     1.200     1.200 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.28390E-02 ppm1      5.256 ppm2      0.782 CV     1
 OR { 3105}
   (( segid "B   " and resid 85   and name HA  ))
   (  segid "B   " and resid 86   and name HG1%)
 OR { 3105}
   (( segid "B   " and resid 85   and name HA  ))
   (  segid "B   " and resid 40   and name HD1%)
 ASSI { 3108}
   (( segid "B   " and resid 7    and name HA  ))
   (  segid "B   " and resid 7    and name HD% )
      3.400     1.400     1.400 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.33264E-02 ppm1      4.976 ppm2      7.464 CV     1
 OR { 3108}
   (( segid "B   " and resid 7    and name HA  ))
   (  segid "A   " and resid 105  and name HD% )
 ASSI { 3117}
   (( segid "B   " and resid 74   and name HA  ))
   (( segid "B   " and resid 65   and name HA  ))
      4.200     2.200     1.800 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.96186E-03 ppm1      3.501 ppm2      3.791 CV     1
 OR { 3117}
   (( segid "B   " and resid 74   and name HA  ))
   (( segid "B   " and resid 102  and name HA  ))
 ASSI { 3119}
   (( segid "B   " and resid 51   and name HA  ))
   (( segid "B   " and resid 50   and name HA  ))
      3.700     1.700     1.700 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.17018E-02 ppm1      3.794 ppm2      4.142 CV     1
 OR { 3119}
   (( segid "B   " and resid 51   and name HA  ))
   (( segid "B   " and resid 48   and name HA  ))
 ASSI { 3120}
   (( segid "B   " and resid 74   and name HA  ))
   (( segid "B   " and resid 74   and name HG  ))
      3.300     1.300     1.300 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.97856E-03 ppm1      3.476 ppm2      1.524 CV     1
 OR { 3120}
   (( segid "B   " and resid 74   and name HA  ))
   (( segid "B   " and resid 63   and name HD2 ))
 ASSI { 3133}
   (( segid "B   " and resid 51   and name HA  ))
   (( segid "B   " and resid 55   and name HA2 ))
      3.300     1.300     1.300 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.55984E-02 ppm1      3.794 ppm2      4.338 CV     1
 OR { 3133}
   (( segid "B   " and resid 102  and name HA  ))
   (( segid "B   " and resid 105  and name HA  ))
 ASSI { 3142}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 8    and name HB3 ))
      2.300     0.700     0.700 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.59689E-02 ppm1      4.175 ppm2      2.892 CV     1
 OR { 3142}
   (( segid "B   " and resid 5    and name HA  ))
   (( segid "B   " and resid 8    and name HB2 ))
 OR { 3142}
   (( segid "B   " and resid 6    and name HA  ))
   (( segid "B   " and resid 6    and name HE2 ))
 ASSI { 3151}
   (( segid "B   " and resid 50   and name HA  ))
   (( segid "A   " and resid 49   and name HB2 ))
      2.600     0.800     0.800 peak  3151 spectrum    1 weight  0.10000E+01 volume  0.42438E-02 ppm1      4.124 ppm2      2.657 CV     1
 OR { 3151}
   (( segid "B   " and resid 50   and name HA  ))
   (( segid "B   " and resid 49   and name HB2 ))
 ASSI { 3159}
   (( segid "B   " and resid 107  and name HA  ))
   (  segid "B   " and resid 85   and name HG2%)
      3.900     1.900     1.900 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.13824E-02 ppm1      4.684 ppm2      0.782 CV     1
 OR { 3159}
   (( segid "B   " and resid 107  and name HA  ))
   (  segid "B   " and resid 110  and name HD1%)
 OR { 3159}
   (( segid "B   " and resid 107  and name HA  ))
   (  segid "B   " and resid 110  and name HG2%)
 ASSI { 3160}
   (( segid "B   " and resid 43   and name HA  ))
   (( segid "B   " and resid 43   and name HG13))
      2.700     0.900     0.900 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.85062E-03 ppm1      4.379 ppm2      1.290 CV     1
 OR { 3160}
   (( segid "B   " and resid 43   and name HA  ))
   (( segid "B   " and resid 42   and name HG  ))
 ASSI { 3184}
   (( segid "B   " and resid 110  and name HA  ))
   (  segid "B   " and resid 110  and name HD1%)
      2.700     0.900     0.900 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.63271E-02 ppm1      4.531 ppm2      0.782 CV     1
 OR { 3184}
   (( segid "B   " and resid 110  and name HA  ))
   (  segid "B   " and resid 85   and name HG2%)
 OR { 3184}
   (( segid "B   " and resid 110  and name HA  ))
   (  segid "B   " and resid 110  and name HG2%)
 OR { 3184}
   (( segid "B   " and resid 103  and name HA  ))
   (  segid "B   " and resid 110  and name HD1%)
 OR { 3184}
   (( segid "B   " and resid 103  and name HA  ))
   (  segid "B   " and resid 110  and name HG2%)
 ASSI { 3213}
   (( segid "B   " and resid 87   and name HA  ))
   (  segid "B   " and resid 87   and name HG2%)
      3.400     1.400     1.400 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.20221E-02 ppm1      4.900 ppm2      0.782 CV     1
 OR { 3213}
   (( segid "B   " and resid 87   and name HA  ))
   (  segid "B   " and resid 86   and name HG1%)
 ASSI { 3220}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 63   and name HB3 ))
      3.500     1.600     1.600 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.17584E-02 ppm1      4.086 ppm2      1.407 CV     1
 OR { 3220}
   (( segid "B   " and resid 77   and name HA  ))
   (( segid "B   " and resid 79   and name HG  ))
 ASSI { 3221}
   (( segid "B   " and resid 87   and name HA  ))
   (( segid "B   " and resid 43   and name HN  ))
      3.000     1.200     1.200 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.85674E-03 ppm1      4.913 ppm2      9.144 CV     1
 OR { 3221}
   (( segid "B   " and resid 87   and name HA  ))
   (( segid "B   " and resid 87   and name HN  ))
 ASSI { 3241}
   (( segid "B   " and resid 84   and name HA  ))
   (  segid "B   " and resid 85   and name HG2%)
      3.700     1.700     1.700 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.16340E-02 ppm1      5.078 ppm2      0.782 CV     1
 OR { 3241}
   (( segid "B   " and resid 84   and name HA  ))
   (  segid "B   " and resid 40   and name HD1%)
 ASSI { 3243}
   (( segid "B   " and resid 40   and name HA  ))
   (( segid "B   " and resid 83   and name HA  ))
      3.900     1.900     1.900 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.12144E-02 ppm1      4.302 ppm2      4.846 CV     1
 OR { 3243}
   (( segid "B   " and resid 40   and name HA  ))
   (( segid "B   " and resid 86   and name HA  ))
 ASSI { 3244}
   (( segid "B   " and resid 71   and name HA  ))
   (  segid "B   " and resid 74   and name HD1%)
      3.900     1.900     1.900 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.15486E-02 ppm1      3.310 ppm2     -0.078 CV     1
 OR { 3244}
   (( segid "B   " and resid 71   and name HA  ))
   (  segid "B   " and resid 102  and name HD2%)
 ASSI { 3246}
   (( segid "B   " and resid 84   and name HA  ))
   (( segid "B   " and resid 109  and name HA  ))
      4.200     2.200     1.800 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.75239E-03 ppm1      5.091 ppm2      4.299 CV     1
 OR { 3246}
   (( segid "B   " and resid 84   and name HA  ))
   (( segid "B   " and resid 108  and name HA  ))
 ASSI { 3248}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 27   and name HB2 ))
      4.000     2.000     2.000 peak  3248 spectrum    1 weight  0.10000E+01 volume  0.99248E-03 ppm1      4.086 ppm2      1.642 CV     1
 OR { 3248}
   (( segid "B   " and resid 26   and name HB2 ))
   (  segid "B   " and resid 30   and name HB% )
 ASSI { 3255}
   (( segid "B   " and resid 41   and name HA  ))
   (  segid "B   " and resid 41   and name HG2%)
      2.000     0.500     0.500 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.11531E-01 ppm1      4.252 ppm2      0.821 CV     1
 OR { 3255}
   (( segid "B   " and resid 23   and name HA  ))
   (  segid "B   " and resid 23   and name HG2%)
 ASSI { 3271}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 120  and name HH2 ))
      3.300     1.300     1.300 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.16842E-02 ppm1      4.099 ppm2      6.838 CV     1
 OR { 3271}
   (( segid "B   " and resid 31   and name HA  ))
   (  segid "B   " and resid 31   and name HE% )
 ASSI { 3306}
   (( segid "B   " and resid 81   and name HA  ))
   (  segid "B   " and resid 107  and name HD% )
      3.200     1.300     1.300 peak  3306 spectrum    1 weight  0.10000E+01 volume  0.13685E-02 ppm1      3.539 ppm2      7.581 CV     1
 OR { 3306}
   (( segid "B   " and resid 81   and name HA  ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI { 3314}
   (( segid "B   " and resid 77   and name HB2 ))
   (( segid "B   " and resid 79   and name HA  ))
      4.200     2.200     1.800 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.10482E-02 ppm1      3.654 ppm2      4.260 CV     1
 OR { 3314}
   (( segid "B   " and resid 77   and name HB3 ))
   (( segid "B   " and resid 79   and name HA  ))
 OR { 3314}
   (( segid "B   " and resid 77   and name HB3 ))
   (( segid "B   " and resid 63   and name HA  ))
 OR { 3314}
   (( segid "B   " and resid 77   and name HB2 ))
   (( segid "B   " and resid 63   and name HA  ))
 ASSI { 3329}
   (( segid "B   " and resid 27   and name HA  ))
   (  segid "B   " and resid 30   and name HB% )
      2.600     0.800     0.800 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.45278E-02 ppm1      4.557 ppm2      1.642 CV     1
 OR { 3329}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI { 3344}
   (( segid "B   " and resid 15   and name HA  ))
   (  segid "B   " and resid 18   and name HB% )
      2.800     1.000     1.000 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      3.259 ppm2      1.407 CV     1
 OR { 3344}
   (( segid "B   " and resid 15   and name HA  ))
   (  segid "B   " and resid 17   and name HB% )
 ASSI { 3362}
   (( segid "B   " and resid 41   and name HB  ))
   (( segid "B   " and resid 43   and name HG13))
      4.300     2.300     1.700 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.65388E-03 ppm1      3.616 ppm2      1.290 CV     1
 OR { 3362}
   (( segid "B   " and resid 41   and name HB  ))
   (( segid "B   " and resid 63   and name HG3 ))
 ASSI { 3365}
   (( segid "B   " and resid 41   and name HB  ))
   (( segid "B   " and resid 79   and name HA  ))
      4.200     2.200     1.800 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.12487E-02 ppm1      3.616 ppm2      4.260 CV     1
 OR { 3365}
   (( segid "B   " and resid 41   and name HB  ))
   (( segid "B   " and resid 63   and name HA  ))
 ASSI { 3379}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 114  and name HG3 ))
      2.400     0.700     0.700 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.70701E-02 ppm1      1.828 ppm2      2.196 CV     1
 OR { 3379}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 24   and name HB3 ))
 OR { 3379}
   (  segid "A   " and resid 24   and name HE% )
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI { 3380}
   (  segid "A   " and resid 24   and name HE% )
   (  segid "A   " and resid 87   and name HG2%)
      4.000     2.000     2.000 peak  3380 spectrum    1 weight  0.10000E+01 volume  0.16283E-02 ppm1      1.828 ppm2      0.807 CV     1
 OR { 3380}
   (  segid "A   " and resid 24   and name HE% )
   (  segid "A   " and resid 23   and name HG2%)
 ASSI { 3407}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "A   " and resid 102  and name HD1%)
      2.500     0.800     0.800 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.50136E-02 ppm1      0.461 ppm2      0.156 CV     1
 OR { 3407}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "A   " and resid 74   and name HD2%)
 ASSI { 3411}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 63   and name HN  ))
      4.800     2.900     1.200 peak  3411 spectrum    1 weight  0.10000E+01 volume  0.10079E-02 ppm1      0.461 ppm2      8.445 CV     1
 OR { 3411}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 44   and name HN  ))
 ASSI { 3412}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 43   and name HG13))
      2.200     0.600     0.600 peak  3412 spectrum    1 weight  0.10000E+01 volume  0.65689E-02 ppm1      0.461 ppm2      1.285 CV     1
 OR { 3412}
   (  segid "A   " and resid 43   and name HD1%)
   (( segid "A   " and resid 63   and name HG3 ))
 ASSI { 3415}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "A   " and resid 79   and name HD1%)
      1.900     0.400     0.400 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.17444E-01 ppm1      0.461 ppm2      0.764 CV     1
 OR { 3415}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "A   " and resid 85   and name HG2%)
 ASSI { 3430}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 85   and name HB  ))
      3.400     1.500     1.500 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.45124E-02 ppm1      0.765 ppm2      1.979 CV     1
 OR { 3430}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 103  and name HB2 ))
 ASSI { 3438}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 107  and name HB2 ))
      3.500     1.600     1.600 peak  3438 spectrum    1 weight  0.10000E+01 volume  0.12620E-02 ppm1      0.765 ppm2      2.673 CV     1
 OR { 3438}
   (  segid "A   " and resid 110  and name HD1%)
   (( segid "A   " and resid 112  and name HB2 ))
 ASSI { 3441}
   (  segid "A   " and resid 40   and name HG2%)
   (( segid "A   " and resid 34   and name HA  ))
      3.900     1.900     1.900 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.78751E-03 ppm1      0.683 ppm2      3.888 CV     1
 OR { 3441}
   (  segid "A   " and resid 40   and name HG2%)
   (( segid "A   " and resid 33   and name HA  ))
 ASSI { 3464}
   (  segid "A   " and resid 30   and name HB% )
   (( segid "A   " and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  3464 spectrum    1 weight  0.10000E+01 volume  0.14934E-02 ppm1      1.630 ppm2      7.664 CV     1
 OR { 3464}
   (  segid "A   " and resid 30   and name HB% )
   (( segid "A   " and resid 32   and name HN  ))
 ASSI { 3474}
   (  segid "A   " and resid 43   and name HG2%)
   (( segid "A   " and resid 65   and name HB2 ))
      2.400     0.700     0.700 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.47610E-02 ppm1      0.496 ppm2      1.328 CV     1
 OR { 3474}
   (  segid "A   " and resid 43   and name HG2%)
   (  segid "A   " and resid 98   and name HB% )
 ASSI { 3482}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 89   and name HN  ))
      3.600     1.600     1.600 peak  3482 spectrum    1 weight  0.10000E+01 volume  0.12542E-02 ppm1      1.150 ppm2      7.186 CV     1
 OR { 3482}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 97   and name HN  ))
 ASSI { 3488}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 113  and name HB3 ))
      3.200     1.200     1.200 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.12055E-02 ppm1      1.139 ppm2      4.452 CV     1
 OR { 3488}
   (  segid "A   " and resid 95   and name HB% )
   (( segid "A   " and resid 98   and name HA  ))
 ASSI { 3523}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 21   and name HB2 ))
      4.700     2.800     1.300 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.10236E-02 ppm1      1.501 ppm2      2.500 CV     1
 OR { 3523}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 22   and name HG2 ))
 ASSI { 3527}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak  3527 spectrum    1 weight  0.10000E+01 volume  0.19452E-02 ppm1      1.501 ppm2      7.924 CV     1
 OR { 3527}
   (  segid "A   " and resid 20   and name HB% )
   (( segid "A   " and resid 17   and name HN  ))
 ASSI { 3538}
   (  segid "A   " and resid 96   and name HB% )
   (  segid "A   " and resid 24   and name HE% )
      3.300     1.300     1.300 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.40542E-02 ppm1      1.443 ppm2      1.805 CV     1
 OR { 3538}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 19   and name HB3 ))
 OR { 3538}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 19   and name HB2 ))
 ASSI { 3539}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 98   and name HN  ))
      4.300     2.300     1.700 peak  3539 spectrum    1 weight  0.10000E+01 volume  0.99221E-03 ppm1      1.443 ppm2      8.879 CV     1
 OR { 3539}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 99   and name HN  ))
 ASSI { 3541}
   (  segid "A   " and resid 96   and name HB% )
   (  segid "A   " and resid 87   and name HG2%)
      3.300     1.400     1.400 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.54474E-02 ppm1      1.443 ppm2      0.764 CV     1
 OR { 3541}
   (  segid "A   " and resid 96   and name HB% )
   (  segid "A   " and resid 15   and name HG1%)
 ASSI { 3543}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 21   and name HN  ))
      3.500     1.600     1.600 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.24511E-02 ppm1      1.454 ppm2      7.230 CV     1
 OR { 3543}
   (  segid "A   " and resid 96   and name HB% )
   (( segid "A   " and resid 113  and name HN  ))
 ASSI { 3550}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 111  and name HN  ))
      3.200     1.300     1.300 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.37399E-02 ppm1      0.800 ppm2      9.096 CV     1
 OR { 3550}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 111  and name HN  ))
 ASSI { 3551}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 112  and name HN  ))
      4.200     2.300     1.800 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.11216E-02 ppm1      0.800 ppm2      8.835 CV     1
 OR { 3551}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 99   and name HN  ))
 OR { 3551}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 99   and name HN  ))
 ASSI { 3560}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 100  and name HB3 ))
      3.500     1.500     1.500 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.39782E-02 ppm1      0.800 ppm2      2.196 CV     1
 OR { 3560}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 84   and name HG3 ))
 ASSI { 3561}
   (  segid "A   " and resid 98   and name HB% )
   (( segid "A   " and resid 98   and name HN  ))
      2.400     0.700     0.700 peak  3561 spectrum    1 weight  0.10000E+01 volume  0.57517E-02 ppm1      1.337 ppm2      8.879 CV     1
 OR { 3561}
   (  segid "A   " and resid 98   and name HB% )
   (( segid "A   " and resid 99   and name HN  ))
 ASSI { 3564}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  3564 spectrum    1 weight  0.10000E+01 volume  0.13224E-02 ppm1      0.800 ppm2      7.664 CV     1
 OR { 3564}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 100  and name HN  ))
 ASSI { 3565}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 109  and name HA  ))
      5.000     3.200     1.000 peak  3565 spectrum    1 weight  0.10000E+01 volume  0.64145E-03 ppm1      0.800 ppm2      4.322 CV     1
 OR { 3565}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 40   and name HA  ))
 ASSI { 3576}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 42   and name HB3 ))
      3.000     1.100     1.100 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.12738E-02 ppm1      0.683 ppm2      1.675 CV     1
 OR { 3576}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 60   and name HD3 ))
 ASSI { 3578}
   (  segid "A   " and resid 59   and name HG2%)
   (( segid "A   " and resid 59   and name HN  ))
      2.500     0.800     0.800 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.64411E-02 ppm1      0.683 ppm2      6.882 CV     1
 OR { 3578}
   (  segid "A   " and resid 59   and name HG2%)
   (  segid "A   " and resid 31   and name HE% )
 ASSI { 3597}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 86   and name HN  ))
      4.000     2.000     2.000 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.12220E-02 ppm1      0.788 ppm2      8.748 CV     1
 OR { 3597}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 102  and name HN  ))
 ASSI { 3600}
   (  segid "A   " and resid 85   and name HG2%)
   (( segid "A   " and resid 85   and name HB  ))
      2.500     0.800     0.800 peak  3600 spectrum    1 weight  0.10000E+01 volume  0.53526E-02 ppm1      0.788 ppm2      1.979 CV     1
 OR { 3600}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 103  and name HB2 ))
 ASSI { 3612}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 112  and name HN  ))
      3.300     1.400     1.400 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.23499E-02 ppm1      0.846 ppm2      8.835 CV     1
 OR { 3612}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 99   and name HN  ))
 ASSI { 3613}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 25   and name HB3 ))
      3.000     1.100     1.100 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.48969E-02 ppm1      0.846 ppm2      1.849 CV     1
 OR { 3613}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 87   and name HB  ))
 ASSI { 3616}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 24   and name HB3 ))
      4.300     2.300     1.700 peak  3616 spectrum    1 weight  0.10000E+01 volume  0.10589E-02 ppm1      0.846 ppm2      2.196 CV     1
 OR { 3616}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 27   and name HG3 ))
 OR { 3616}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 24   and name HB2 ))
 OR { 3616}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 114  and name HG3 ))
 OR { 3616}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 100  and name HB3 ))
 ASSI { 3617}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 27   and name HB3 ))
      4.000     2.000     2.000 peak  3617 spectrum    1 weight  0.10000E+01 volume  0.10801E-02 ppm1      0.846 ppm2      2.630 CV     1
 OR { 3617}
   (  segid "A   " and resid 86   and name HG2%)
   (( segid "A   " and resid 24   and name HG2 ))
 ASSI { 3646}
   (  segid "A   " and resid 10   and name HG2%)
   (( segid "A   " and resid 10   and name HN  ))
      3.700     1.700     1.700 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.36121E-02 ppm1      0.507 ppm2      8.401 CV     1
 OR { 3646}
   (  segid "A   " and resid 10   and name HG2%)
   (( segid "A   " and resid 11   and name HN  ))
 ASSI { 3659}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.42866E-02 ppm1      0.835 ppm2      8.835 CV     1
 OR { 3659}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 112  and name HN  ))
 ASSI { 3665}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 111  and name HB2 ))
      5.200     3.300     0.800 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.75033E-03 ppm1      0.846 ppm2      2.890 CV     1
 OR { 3665}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 24   and name HG3 ))
 ASSI { 3668}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 100  and name HA  ))
      4.200     2.200     1.800 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.11397E-02 ppm1      0.870 ppm2      4.062 CV     1
 OR { 3668}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 101  and name HA  ))
 ASSI { 3669}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 110  and name HB  ))
      3.800     1.800     1.800 peak  3669 spectrum    1 weight  0.10000E+01 volume  0.33814E-02 ppm1      0.858 ppm2      1.632 CV     1
 OR { 3669}
   (  segid "A   " and resid 87   and name HG1%)
   (  segid "A   " and resid 30   and name HB% )
 OR { 3669}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "A   " and resid 25   and name HB2 ))
 ASSI { 3684}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 22   and name HB2 ))
      3.400     1.400     1.400 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.55933E-02 ppm1      0.788 ppm2      1.892 CV     1
 OR { 3684}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 86   and name HB  ))
 ASSI { 3685}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 16   and name HE3 ))
      3.700     1.700     1.700 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.27467E-02 ppm1      0.788 ppm2      2.934 CV     1
 OR { 3685}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 16   and name HE2 ))
 OR { 3685}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 107  and name HB3 ))
 ASSI { 3686}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 86   and name HN  ))
      4.100     2.100     1.900 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.19546E-02 ppm1      0.788 ppm2      8.748 CV     1
 OR { 3686}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 102  and name HN  ))
 OR { 3686}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "B   " and resid 68   and name HN  ))
 OR { 3686}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 45   and name HN  ))
 ASSI { 3693}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.13067E-02 ppm1      0.741 ppm2      7.924 CV     1
 OR { 3693}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 17   and name HN  ))
 ASSI { 3696}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "A   " and resid 98   and name HN  ))
      4.600     2.700     1.400 peak  3696 spectrum    1 weight  0.10000E+01 volume  0.76820E-03 ppm1      0.741 ppm2      8.879 CV     1
 OR { 3696}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "A   " and resid 99   and name HN  ))
 ASSI { 3700}
   (  segid "A   " and resid 97   and name HD2%)
   (  segid "B   " and resid 15   and name HG2%)
      3.300     1.300     1.300 peak  3700 spectrum    1 weight  0.10000E+01 volume  0.54974E-02 ppm1      0.730 ppm2      0.460 CV     1
 OR { 3700}
   (  segid "A   " and resid 97   and name HD2%)
   (  segid "A   " and resid 15   and name HG2%)
 ASSI { 3703}
   (  segid "A   " and resid 97   and name HD2%)
   (  segid "A   " and resid 96   and name HB% )
      2.500     0.800     0.800 peak  3703 spectrum    1 weight  0.10000E+01 volume  0.89573E-02 ppm1      0.730 ppm2      1.415 CV     1
 OR { 3703}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "A   " and resid 100  and name HG2 ))
 OR { 3703}
   (  segid "A   " and resid 97   and name HD2%)
   (  segid "A   " and resid 18   and name HB% )
 ASSI { 3706}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "A   " and resid 97   and name HB2 ))
      2.500     0.800     0.800 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.56740E-02 ppm1      0.741 ppm2      1.675 CV     1
 OR { 3706}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "B   " and resid 97   and name HB2 ))
 ASSI { 3709}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 16   and name HG3 ))
      3.100     1.200     1.200 peak  3709 spectrum    1 weight  0.10000E+01 volume  0.50325E-02 ppm1      0.788 ppm2      1.458 CV     1
 OR { 3709}
   (  segid "A   " and resid 87   and name HG2%)
   (  segid "A   " and resid 96   and name HB% )
 OR { 3709}
   (  segid "A   " and resid 15   and name HG1%)
   (  segid "A   " and resid 96   and name HB% )
 ASSI { 3720}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "B   " and resid 69   and name HA  ))
      3.300     1.400     1.400 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.37705E-02 ppm1      0.788 ppm2      4.062 CV     1
 OR { 3720}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 100  and name HA  ))
 OR { 3720}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 14   and name HA  ))
 OR { 3720}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 17   and name HA  ))
 ASSI { 3749}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 25   and name HG  ))
      4.400     2.500     1.600 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.84867E-03 ppm1      1.045 ppm2      1.675 CV     1
 OR { 3749}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 110  and name HB  ))
 ASSI { 3758}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "A   " and resid 97   and name HB2 ))
      4.300     2.300     1.700 peak  3758 spectrum    1 weight  0.10000E+01 volume  0.13162E-02 ppm1      1.174 ppm2      1.675 CV     1
 OR { 3758}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "A   " and resid 74   and name HB3 ))
 OR { 3758}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "A   " and resid 70   and name HB3 ))
 OR { 3758}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "A   " and resid 110  and name HB  ))
 ASSI { 3759}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "A   " and resid 102  and name HG  ))
      3.800     1.800     1.800 peak  3759 spectrum    1 weight  0.10000E+01 volume  0.19413E-02 ppm1      1.185 ppm2      1.545 CV     1
 OR { 3759}
   (  segid "A   " and resid 101  and name HG2%)
   (( segid "A   " and resid 100  and name HG3 ))
 ASSI { 3770}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "A   " and resid 102  and name HB2 ))
      3.300     1.300     1.300 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.45760E-02 ppm1     -0.089 ppm2      0.764 CV     1
 OR { 3770}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 79   and name HD1%)
 OR { 3770}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 110  and name HD1%)
 OR { 3770}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 85   and name HG2%)
 ASSI { 3780}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "B   " and resid 10   and name HB  ))
      5.000     3.200     1.000 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.59047E-03 ppm1     -0.077 ppm2      4.279 CV     1
 OR { 3780}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "A   " and resid 79   and name HA  ))
 OR { 3780}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "B   " and resid 4    and name HA2 ))
 ASSI { 3782}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "B   " and resid 7    and name HE% )
      3.600     1.600     1.600 peak  3782 spectrum    1 weight  0.10000E+01 volume  0.11412E-02 ppm1     -0.089 ppm2      7.577 CV     1
 OR { 3782}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 107  and name HD% )
 ASSI { 3788}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 57   and name HB2 ))
      2.400     0.700     0.700 peak  3788 spectrum    1 weight  0.10000E+01 volume  0.47596E-02 ppm1      1.010 ppm2      0.243 CV     1
 OR { 3788}
   (  segid "A   " and resid 59   and name HG1%)
   (  segid "A   " and resid 42   and name HD1%)
 ASSI { 3789}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 58   and name HN  ))
      3.300     1.300     1.300 peak  3789 spectrum    1 weight  0.10000E+01 volume  0.15632E-02 ppm1      1.010 ppm2      8.011 CV     1
 OR { 3789}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 35   and name HN  ))
 ASSI { 3790}
   (  segid "A   " and resid 59   and name HG1%)
   (  segid "A   " and resid 31   and name HE% )
      2.200     0.600     0.600 peak  3790 spectrum    1 weight  0.10000E+01 volume  0.98281E-02 ppm1      1.010 ppm2      6.882 CV     1
 OR { 3790}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 59   and name HN  ))
 ASSI { 3792}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 34   and name HB2 ))
      3.600     1.600     1.600 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.19523E-02 ppm1      1.010 ppm2      1.632 CV     1
 OR { 3792}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 110  and name HB  ))
 OR { 3792}
   (  segid "A   " and resid 59   and name HG1%)
   (  segid "A   " and resid 30   and name HB% )
 ASSI { 3794}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 108  and name HB3 ))
      4.000     2.000     2.000 peak  3794 spectrum    1 weight  0.10000E+01 volume  0.23295E-02 ppm1      1.010 ppm2      1.805 CV     1
 OR { 3794}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 60   and name HB2 ))
 OR { 3794}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 60   and name HB3 ))
 ASSI { 3795}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 62   and name HB2 ))
      4.200     2.200     1.800 peak  3795 spectrum    1 weight  0.10000E+01 volume  0.80161E-03 ppm1      1.010 ppm2      2.760 CV     1
 OR { 3795}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 31   and name HB2 ))
 OR { 3795}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 62   and name HB3 ))
 ASSI { 3798}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 59   and name HB  ))
      2.300     0.700     0.700 peak  3798 spectrum    1 weight  0.10000E+01 volume  0.73197E-02 ppm1      1.010 ppm2      2.456 CV     1
 OR { 3798}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 84   and name HB3 ))
 ASSI { 3801}
   (  segid "A   " and resid 121  and name HD2%)
   (( segid "A   " and resid 121  and name HN  ))
      4.100     2.100     1.900 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.18574E-02 ppm1      0.998 ppm2      8.575 CV     1
 OR { 3801}
   (  segid "A   " and resid 59   and name HG1%)
   (( segid "A   " and resid 60   and name HN  ))
 ASSI { 3816}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 42   and name HA  ))
      4.500     2.500     1.500 peak  3816 spectrum    1 weight  0.10000E+01 volume  0.56380E-03 ppm1      0.882 ppm2      5.016 CV     1
 OR { 3816}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 80   and name HA  ))
 ASSI { 3826}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 79   and name HA  ))
      2.600     0.900     0.900 peak  3826 spectrum    1 weight  0.10000E+01 volume  0.70931E-02 ppm1      0.882 ppm2      4.279 CV     1
 OR { 3826}
   (  segid "A   " and resid 79   and name HD2%)
   (( segid "A   " and resid 40   and name HA  ))
 ASSI { 3834}
   (  segid "A   " and resid 74   and name HD2%)
   (( segid "A   " and resid 74   and name HB3 ))
      2.300     0.600     0.600 peak  3834 spectrum    1 weight  0.10000E+01 volume  0.68583E-02 ppm1      0.168 ppm2      1.632 CV     1
 OR { 3834}
   (  segid "A   " and resid 74   and name HD2%)
   (  segid "A   " and resid 75   and name HB% )
 ASSI { 3848}
   (  segid "A   " and resid 25   and name HD2%)
   (( segid "A   " and resid 25   and name HB2 ))
      3.000     1.100     1.100 peak  3848 spectrum    1 weight  0.10000E+01 volume  0.60428E-02 ppm1      0.952 ppm2      1.632 CV     1
 OR { 3848}
   (  segid "A   " and resid 25   and name HD2%)
   (  segid "A   " and resid 30   and name HB% )
 ASSI { 3865}
   (  segid "A   " and resid 85   and name HG1%)
   (  segid "A   " and resid 41   and name HG2%)
      2.800     1.000     1.000 peak  3865 spectrum    1 weight  0.10000E+01 volume  0.15938E-01 ppm1      1.069 ppm2      0.807 CV     1
 OR { 3865}
   (  segid "A   " and resid 85   and name HG1%)
   (  segid "A   " and resid 40   and name HD1%)
 ASSI { 3880}
   (  segid "A   " and resid 85   and name HG1%)
   (( segid "A   " and resid 110  and name HA  ))
      4.700     2.800     1.300 peak  3880 spectrum    1 weight  0.10000E+01 volume  0.64741E-03 ppm1      1.057 ppm2      4.539 CV     1
 OR { 3880}
   (  segid "A   " and resid 85   and name HG1%)
   (( segid "A   " and resid 103  and name HA  ))
 ASSI { 3908}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 25   and name HB2 ))
      4.000     2.000     2.000 peak  3908 spectrum    1 weight  0.10000E+01 volume  0.32019E-02 ppm1      0.765 ppm2      1.588 CV     1
 OR { 3908}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 43   and name HB  ))
 ASSI { 3909}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 40   and name HB  ))
      3.200     1.300     1.300 peak  3909 spectrum    1 weight  0.10000E+01 volume  0.68020E-02 ppm1      0.765 ppm2      1.849 CV     1
 OR { 3909}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 25   and name HB3 ))
 OR { 3909}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 34   and name HB3 ))
 ASSI { 3912}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 84   and name HD3 ))
      5.300     3.600     0.700 peak  3912 spectrum    1 weight  0.10000E+01 volume  0.60482E-03 ppm1      0.578 ppm2      4.149 CV     1
 OR { 3912}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 68   and name HA2 ))
 OR { 3912}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 36   and name HA  ))
 ASSI { 3913}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 34   and name HG  ))
      2.700     0.900     0.900 peak  3913 spectrum    1 weight  0.10000E+01 volume  0.44937E-02 ppm1      0.578 ppm2      1.762 CV     1
 OR { 3913}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 33   and name HB3 ))
 ASSI { 3919}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak  3919 spectrum    1 weight  0.10000E+01 volume  0.36551E-02 ppm1      0.578 ppm2      7.447 CV     1
 OR { 3919}
   (  segid "A   " and resid 70   and name HD1%)
   (  segid "B   " and resid 7    and name HD% )
 ASSI { 3930}
   (  segid "A   " and resid 33   and name HD1%)
   (  segid "A   " and resid 30   and name HB% )
      3.000     1.200     1.200 peak  3930 spectrum    1 weight  0.10000E+01 volume  0.63848E-02 ppm1      0.566 ppm2      1.632 CV     1
 OR { 3930}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 74   and name HB3 ))
 OR { 3930}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 34   and name HB2 ))
 ASSI { 3934}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 67   and name HA  ))
      4.500     2.600     1.500 peak  3934 spectrum    1 weight  0.10000E+01 volume  0.11279E-02 ppm1      0.566 ppm2      3.758 CV     1
 OR { 3934}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 65   and name HA  ))
 ASSI { 3936}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 65   and name HB3 ))
      2.900     1.000     1.000 peak  3936 spectrum    1 weight  0.10000E+01 volume  0.48324E-02 ppm1      0.566 ppm2      1.502 CV     1
 OR { 3936}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 74   and name HG  ))
 ASSI { 3937}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 85   and name HN  ))
      4.800     2.800     1.200 peak  3937 spectrum    1 weight  0.10000E+01 volume  0.59580E-03 ppm1      0.566 ppm2      7.794 CV     1
 OR { 3937}
   (  segid "A   " and resid 70   and name HD1%)
   (( segid "A   " and resid 101  and name HN  ))
 ASSI { 3947}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 34   and name HB3 ))
      2.400     0.700     0.700 peak  3947 spectrum    1 weight  0.10000E+01 volume  0.50144E-02 ppm1      0.776 ppm2      1.849 CV     1
 OR { 3947}
   (  segid "A   " and resid 34   and name HD2%)
   (( segid "A   " and resid 40   and name HB  ))
 ASSI { 3974}
   (  segid "A   " and resid 15   and name HG2%)
   (  segid "A   " and resid 96   and name HB% )
      3.700     1.700     1.700 peak  3974 spectrum    1 weight  0.10000E+01 volume  0.30849E-02 ppm1      0.449 ppm2      1.458 CV     1
 OR { 3974}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "B   " and resid 70   and name HB2 ))
 OR { 3974}
   (  segid "A   " and resid 15   and name HG2%)
   (( segid "A   " and resid 16   and name HG3 ))
 ASSI { 3984}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 48   and name HB3 ))
      4.900     3.000     1.100 peak  3984 spectrum    1 weight  0.10000E+01 volume  0.64874E-03 ppm1      0.355 ppm2      2.586 CV     1
 OR { 3984}
   (  segid "A   " and resid 51   and name HD1%)
   (( segid "A   " and resid 56   and name HE3 ))
 ASSI { 4000}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "A   " and resid 79   and name HA  ))
      5.500     3.700     0.500 peak  4000 spectrum    1 weight  0.10000E+01 volume  0.50843E-03 ppm1     -0.065 ppm2      4.279 CV     1
 OR { 4000}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "B   " and resid 4    and name HA2 ))
 ASSI { 4012}
   (  segid "A   " and resid 125  and name HD1%)
   (( segid "A   " and resid 120  and name HH2 ))
      3.700     1.800     1.800 peak  4012 spectrum    1 weight  0.10000E+01 volume  0.99771E-03 ppm1     -0.182 ppm2      6.839 CV     1
 OR { 4012}
   (  segid "A   " and resid 125  and name HD1%)
   (  segid "A   " and resid 31   and name HE% )
 ASSI { 4046}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 43   and name HA  ))
      4.100     2.100     1.900 peak  4046 spectrum    1 weight  0.10000E+01 volume  0.97889E-03 ppm1      0.391 ppm2      4.409 CV     1
 OR { 4046}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 58   and name HA  ))
 ASSI { 4047}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 86   and name HN  ))
      5.000     3.100     1.000 peak  4047 spectrum    1 weight  0.10000E+01 volume  0.80947E-03 ppm1      0.391 ppm2      8.748 CV     1
 OR { 4047}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 45   and name HN  ))
 ASSI { 4048}
   (  segid "A   " and resid 42   and name HD2%)
   (  segid "A   " and resid 41   and name HG2%)
      3.800     1.800     1.800 peak  4048 spectrum    1 weight  0.10000E+01 volume  0.37883E-02 ppm1      0.391 ppm2      0.807 CV     1
 OR { 4048}
   (  segid "A   " and resid 42   and name HD2%)
   (  segid "A   " and resid 87   and name HG2%)
 ASSI { 4049}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 44   and name HN  ))
      3.400     1.500     1.500 peak  4049 spectrum    1 weight  0.10000E+01 volume  0.25813E-02 ppm1      0.379 ppm2      8.445 CV     1
 OR { 4049}
   (  segid "A   " and resid 42   and name HD2%)
   (( segid "A   " and resid 63   and name HN  ))
 ASSI { 4080}
   (  segid "A   " and resid 102  and name HD1%)
   (  segid "A   " and resid 110  and name HD1%)
      2.300     0.600     0.600 peak  4080 spectrum    1 weight  0.10000E+01 volume  0.80947E-02 ppm1      0.180 ppm2      0.764 CV     1
 OR { 4080}
   (  segid "A   " and resid 102  and name HD1%)
   (( segid "A   " and resid 102  and name HB2 ))
 OR { 4080}
   (  segid "A   " and resid 102  and name HD1%)
   (  segid "A   " and resid 85   and name HG2%)
 ASSI { 4096}
   (  segid "A   " and resid 73   and name HD1%)
   (( segid "A   " and resid 76   and name HB2 ))
      2.800     1.000     1.000 peak  4096 spectrum    1 weight  0.10000E+01 volume  0.28079E-02 ppm1      0.648 ppm2      1.632 CV     1
 OR { 4096}
   (  segid "A   " and resid 70   and name HD2%)
   (( segid "A   " and resid 74   and name HB3 ))
 ASSI { 4098}
   (  segid "A   " and resid 70   and name HD2%)
   (  segid "A   " and resid 74   and name HD2%)
      4.300     2.300     1.700 peak  4098 spectrum    1 weight  0.10000E+01 volume  0.15562E-02 ppm1      0.648 ppm2      0.156 CV     1
 OR { 4098}
   (  segid "A   " and resid 70   and name HD2%)
   (  segid "A   " and resid 102  and name HD1%)
 ASSI { 4101}
   (  segid "A   " and resid 70   and name HD2%)
   (( segid "A   " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak  4101 spectrum    1 weight  0.10000E+01 volume  0.71213E-03 ppm1      0.648 ppm2      3.715 CV     1
 OR { 4101}
   (  segid "A   " and resid 70   and name HD2%)
   (( segid "A   " and resid 95   and name HA  ))
 ASSI { 4109}
   (  segid "A   " and resid 73   and name HD1%)
   (( segid "A   " and resid 76   and name HB2 ))
      2.900     1.100     1.100 peak  4109 spectrum    1 weight  0.10000E+01 volume  0.22040E-02 ppm1      0.671 ppm2      1.632 CV     1
 OR { 4109}
   (( segid "A   " and resid 125  and name HG  ))
   (( segid "A   " and resid 27   and name HB2 ))
 OR { 4109}
   (( segid "A   " and resid 125  and name HG  ))
   (( segid "A   " and resid 28   and name HD3 ))
 ASSI { 4111}
   (  segid "A   " and resid 25   and name HD1%)
   (( segid "A   " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak  4111 spectrum    1 weight  0.10000E+01 volume  0.43250E-02 ppm1      0.589 ppm2      1.632 CV     1
 OR { 4111}
   (  segid "A   " and resid 25   and name HD1%)
   (  segid "A   " and resid 30   and name HB% )
 ASSI { 3379}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 114  and name HG3 ))
      2.400     0.700     0.700 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.70701E-02 ppm1      1.828 ppm2      2.196 CV     1
 OR { 3379}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 24   and name HB3 ))
 OR { 3379}
   (  segid "B   " and resid 24   and name HE% )
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI { 3380}
   (  segid "B   " and resid 24   and name HE% )
   (  segid "B   " and resid 87   and name HG2%)
      4.000     2.000     2.000 peak  3380 spectrum    1 weight  0.10000E+01 volume  0.16283E-02 ppm1      1.828 ppm2      0.807 CV     1
 OR { 3380}
   (  segid "B   " and resid 24   and name HE% )
   (  segid "B   " and resid 23   and name HG2%)
 ASSI { 3407}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "B   " and resid 102  and name HD1%)
      2.500     0.800     0.800 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.50136E-02 ppm1      0.461 ppm2      0.156 CV     1
 OR { 3407}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "B   " and resid 74   and name HD2%)
 ASSI { 3411}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 63   and name HN  ))
      4.800     2.900     1.200 peak  3411 spectrum    1 weight  0.10000E+01 volume  0.10079E-02 ppm1      0.461 ppm2      8.445 CV     1
 OR { 3411}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 44   and name HN  ))
 ASSI { 3412}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 43   and name HG13))
      2.200     0.600     0.600 peak  3412 spectrum    1 weight  0.10000E+01 volume  0.65689E-02 ppm1      0.461 ppm2      1.285 CV     1
 OR { 3412}
   (  segid "B   " and resid 43   and name HD1%)
   (( segid "B   " and resid 63   and name HG3 ))
 ASSI { 3415}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "B   " and resid 79   and name HD1%)
      1.900     0.400     0.400 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.17444E-01 ppm1      0.461 ppm2      0.764 CV     1
 OR { 3415}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "B   " and resid 85   and name HG2%)
 ASSI { 3430}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 85   and name HB  ))
      3.400     1.500     1.500 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.45124E-02 ppm1      0.765 ppm2      1.979 CV     1
 OR { 3430}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 103  and name HB2 ))
 ASSI { 3438}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 107  and name HB2 ))
      3.500     1.600     1.600 peak  3438 spectrum    1 weight  0.10000E+01 volume  0.12620E-02 ppm1      0.765 ppm2      2.673 CV     1
 OR { 3438}
   (  segid "B   " and resid 110  and name HD1%)
   (( segid "B   " and resid 112  and name HB2 ))
 ASSI { 3441}
   (  segid "B   " and resid 40   and name HG2%)
   (( segid "B   " and resid 34   and name HA  ))
      3.900     1.900     1.900 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.78751E-03 ppm1      0.683 ppm2      3.888 CV     1
 OR { 3441}
   (  segid "B   " and resid 40   and name HG2%)
   (( segid "B   " and resid 33   and name HA  ))
 ASSI { 3464}
   (  segid "B   " and resid 30   and name HB% )
   (( segid "B   " and resid 29   and name HN  ))
      4.100     2.100     1.900 peak  3464 spectrum    1 weight  0.10000E+01 volume  0.14934E-02 ppm1      1.630 ppm2      7.664 CV     1
 OR { 3464}
   (  segid "B   " and resid 30   and name HB% )
   (( segid "B   " and resid 32   and name HN  ))
 ASSI { 3474}
   (  segid "B   " and resid 43   and name HG2%)
   (( segid "B   " and resid 65   and name HB2 ))
      2.400     0.700     0.700 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.47610E-02 ppm1      0.496 ppm2      1.328 CV     1
 OR { 3474}
   (  segid "B   " and resid 43   and name HG2%)
   (  segid "B   " and resid 98   and name HB% )
 ASSI { 3482}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 89   and name HN  ))
      3.600     1.600     1.600 peak  3482 spectrum    1 weight  0.10000E+01 volume  0.12542E-02 ppm1      1.150 ppm2      7.186 CV     1
 OR { 3482}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 97   and name HN  ))
 ASSI { 3488}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 113  and name HB3 ))
      3.200     1.200     1.200 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.12055E-02 ppm1      1.139 ppm2      4.452 CV     1
 OR { 3488}
   (  segid "B   " and resid 95   and name HB% )
   (( segid "B   " and resid 98   and name HA  ))
 ASSI { 3523}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 21   and name HB2 ))
      4.700     2.800     1.300 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.10236E-02 ppm1      1.501 ppm2      2.500 CV     1
 OR { 3523}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 22   and name HG2 ))
 ASSI { 3527}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak  3527 spectrum    1 weight  0.10000E+01 volume  0.19452E-02 ppm1      1.501 ppm2      7.924 CV     1
 OR { 3527}
   (  segid "B   " and resid 20   and name HB% )
   (( segid "B   " and resid 17   and name HN  ))
 ASSI { 3538}
   (  segid "B   " and resid 96   and name HB% )
   (  segid "B   " and resid 24   and name HE% )
      3.300     1.300     1.300 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.40542E-02 ppm1      1.443 ppm2      1.805 CV     1
 OR { 3538}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 19   and name HB3 ))
 OR { 3538}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 19   and name HB2 ))
 ASSI { 3539}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 98   and name HN  ))
      4.200     2.300     1.800 peak  3539 spectrum    1 weight  0.10000E+01 volume  0.99221E-03 ppm1      1.443 ppm2      8.879 CV     1
 OR { 3539}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 99   and name HN  ))
 ASSI { 3541}
   (  segid "B   " and resid 96   and name HB% )
   (  segid "B   " and resid 87   and name HG2%)
      3.200     1.300     1.300 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.54474E-02 ppm1      1.443 ppm2      0.764 CV     1
 OR { 3541}
   (  segid "B   " and resid 96   and name HB% )
   (  segid "B   " and resid 110  and name HD1%)
 ASSI { 3543}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 21   and name HN  ))
      3.500     1.600     1.600 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.24511E-02 ppm1      1.454 ppm2      7.230 CV     1
 OR { 3543}
   (  segid "B   " and resid 96   and name HB% )
   (( segid "B   " and resid 113  and name HN  ))
 ASSI { 3550}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 111  and name HN  ))
      3.200     1.300     1.300 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.37399E-02 ppm1      0.800 ppm2      9.096 CV     1
 OR { 3550}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 111  and name HN  ))
 ASSI { 3551}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 112  and name HN  ))
      4.200     2.300     1.800 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.11216E-02 ppm1      0.800 ppm2      8.835 CV     1
 OR { 3551}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 99   and name HN  ))
 OR { 3551}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 99   and name HN  ))
 ASSI { 3560}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 100  and name HB3 ))
      3.500     1.500     1.500 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.39782E-02 ppm1      0.800 ppm2      2.196 CV     1
 OR { 3560}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 84   and name HG3 ))
 ASSI { 3561}
   (  segid "B   " and resid 98   and name HB% )
   (( segid "B   " and resid 98   and name HN  ))
      2.400     0.700     0.700 peak  3561 spectrum    1 weight  0.10000E+01 volume  0.57517E-02 ppm1      1.337 ppm2      8.879 CV     1
 OR { 3561}
   (  segid "B   " and resid 98   and name HB% )
   (( segid "B   " and resid 99   and name HN  ))
 ASSI { 3564}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  3564 spectrum    1 weight  0.10000E+01 volume  0.13224E-02 ppm1      0.800 ppm2      7.664 CV     1
 OR { 3564}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 100  and name HN  ))
 ASSI { 3565}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 109  and name HA  ))
      5.000     3.100     1.000 peak  3565 spectrum    1 weight  0.10000E+01 volume  0.64145E-03 ppm1      0.800 ppm2      4.322 CV     1
 OR { 3565}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 40   and name HA  ))
 ASSI { 3576}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 42   and name HB3 ))
      3.000     1.100     1.100 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.12738E-02 ppm1      0.683 ppm2      1.675 CV     1
 OR { 3576}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 60   and name HD3 ))
 ASSI { 3578}
   (  segid "B   " and resid 59   and name HG2%)
   (( segid "B   " and resid 59   and name HN  ))
      2.500     0.800     0.800 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.64411E-02 ppm1      0.683 ppm2      6.882 CV     1
 OR { 3578}
   (  segid "B   " and resid 59   and name HG2%)
   (  segid "B   " and resid 31   and name HE% )
 ASSI { 3600}
   (  segid "B   " and resid 85   and name HG2%)
   (( segid "B   " and resid 85   and name HB  ))
      2.500     0.800     0.800 peak  3600 spectrum    1 weight  0.10000E+01 volume  0.53526E-02 ppm1      0.788 ppm2      1.979 CV     1
 OR { 3600}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 103  and name HB2 ))
 ASSI { 3612}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 112  and name HN  ))
      3.300     1.400     1.400 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.23499E-02 ppm1      0.846 ppm2      8.835 CV     1
 OR { 3612}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 99   and name HN  ))
 ASSI { 3613}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 25   and name HB3 ))
      3.000     1.100     1.100 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.48969E-02 ppm1      0.846 ppm2      1.849 CV     1
 OR { 3613}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 87   and name HB  ))
 ASSI { 3616}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 24   and name HB3 ))
      4.300     2.300     1.700 peak  3616 spectrum    1 weight  0.10000E+01 volume  0.10589E-02 ppm1      0.846 ppm2      2.196 CV     1
 OR { 3616}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 27   and name HG3 ))
 OR { 3616}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 24   and name HB2 ))
 OR { 3616}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 114  and name HG3 ))
 OR { 3616}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 100  and name HB3 ))
 ASSI { 3617}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 27   and name HB3 ))
      4.000     2.000     2.000 peak  3617 spectrum    1 weight  0.10000E+01 volume  0.10801E-02 ppm1      0.846 ppm2      2.630 CV     1
 OR { 3617}
   (  segid "B   " and resid 86   and name HG2%)
   (( segid "B   " and resid 24   and name HG2 ))
 ASSI { 3646}
   (  segid "B   " and resid 10   and name HG2%)
   (( segid "B   " and resid 10   and name HN  ))
      3.700     1.700     1.700 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.36121E-02 ppm1      0.507 ppm2      8.401 CV     1
 OR { 3646}
   (  segid "B   " and resid 10   and name HG2%)
   (( segid "B   " and resid 11   and name HN  ))
 ASSI { 3659}
   (  segid "B   " and resid 23   and name HG2%)
   (( segid "B   " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.42866E-02 ppm1      0.835 ppm2      8.835 CV     1
 OR { 3659}
   (  segid "B   " and resid 23   and name HG2%)
   (( segid "B   " and resid 112  and name HN  ))
 ASSI { 3665}
   (  segid "B   " and resid 23   and name HG2%)
   (( segid "B   " and resid 111  and name HB2 ))
      5.200     3.300     0.800 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.75033E-03 ppm1      0.846 ppm2      2.890 CV     1
 OR { 3665}
   (  segid "B   " and resid 23   and name HG2%)
   (( segid "B   " and resid 24   and name HG3 ))
 ASSI { 3668}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 100  and name HA  ))
      4.200     2.200     1.800 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.11397E-02 ppm1      0.870 ppm2      4.062 CV     1
 OR { 3668}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 101  and name HA  ))
 ASSI { 3669}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 110  and name HB  ))
      3.800     1.800     1.800 peak  3669 spectrum    1 weight  0.10000E+01 volume  0.33814E-02 ppm1      0.858 ppm2      1.632 CV     1
 OR { 3669}
   (  segid "B   " and resid 87   and name HG1%)
   (  segid "B   " and resid 30   and name HB% )
 OR { 3669}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "B   " and resid 25   and name HB2 ))
 ASSI { 3684}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 22   and name HB2 ))
      3.400     1.400     1.400 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.55933E-02 ppm1      0.788 ppm2      1.892 CV     1
 OR { 3684}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 86   and name HB  ))
 ASSI { 3685}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 16   and name HE3 ))
      3.600     1.700     1.700 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.27467E-02 ppm1      0.788 ppm2      2.934 CV     1
 OR { 3685}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 16   and name HE2 ))
 OR { 3685}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 107  and name HB3 ))
 ASSI { 3693}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.13067E-02 ppm1      0.741 ppm2      7.924 CV     1
 OR { 3693}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 17   and name HN  ))
 ASSI { 3696}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "B   " and resid 98   and name HN  ))
      4.500     2.500     1.500 peak  3696 spectrum    1 weight  0.10000E+01 volume  0.76820E-03 ppm1      0.741 ppm2      8.879 CV     1
 OR { 3696}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "B   " and resid 99   and name HN  ))
 ASSI { 3703}
   (  segid "B   " and resid 97   and name HD2%)
   (  segid "B   " and resid 96   and name HB% )
      2.500     0.800     0.800 peak  3703 spectrum    1 weight  0.10000E+01 volume  0.89573E-02 ppm1      0.730 ppm2      1.415 CV     1
 OR { 3703}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "B   " and resid 100  and name HG2 ))
 ASSI { 3706}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "B   " and resid 97   and name HB2 ))
      2.400     0.700     0.700 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.56740E-02 ppm1      0.741 ppm2      1.675 CV     1
 OR { 3706}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "A   " and resid 97   and name HB2 ))
 ASSI { 3709}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 16   and name HG3 ))
      3.100     1.200     1.200 peak  3709 spectrum    1 weight  0.10000E+01 volume  0.50325E-02 ppm1      0.788 ppm2      1.458 CV     1
 OR { 3709}
   (  segid "B   " and resid 87   and name HG2%)
   (  segid "B   " and resid 96   and name HB% )
 ASSI { 3720}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "A   " and resid 69   and name HA  ))
      3.300     1.400     1.400 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.37705E-02 ppm1      0.788 ppm2      4.062 CV     1
 OR { 3720}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 100  and name HA  ))
 OR { 3720}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 14   and name HA  ))
 ASSI { 3749}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 25   and name HG  ))
      4.400     2.500     1.600 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.84867E-03 ppm1      1.045 ppm2      1.675 CV     1
 OR { 3749}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 110  and name HB  ))
 ASSI { 3759}
   (  segid "B   " and resid 101  and name HG2%)
   (( segid "B   " and resid 102  and name HG  ))
      3.700     1.700     1.700 peak  3759 spectrum    1 weight  0.10000E+01 volume  0.19413E-02 ppm1      1.185 ppm2      1.545 CV     1
 OR { 3759}
   (  segid "B   " and resid 101  and name HG2%)
   (( segid "B   " and resid 100  and name HG3 ))
 ASSI { 3770}
   (  segid "B   " and resid 102  and name HD2%)
   (( segid "B   " and resid 102  and name HB2 ))
      3.300     1.300     1.300 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.45760E-02 ppm1     -0.089 ppm2      0.764 CV     1
 OR { 3770}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 79   and name HD1%)
 OR { 3770}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 110  and name HD1%)
 ASSI { 3780}
   (  segid "B   " and resid 102  and name HD2%)
   (( segid "A   " and resid 10   and name HB  ))
      4.700     2.700     1.300 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.59047E-03 ppm1     -0.077 ppm2      4.279 CV     1
 OR { 3780}
   (  segid "B   " and resid 102  and name HD2%)
   (( segid "B   " and resid 79   and name HA  ))
 ASSI { 3782}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "A   " and resid 7    and name HE% )
      3.600     1.600     1.600 peak  3782 spectrum    1 weight  0.10000E+01 volume  0.11412E-02 ppm1     -0.089 ppm2      7.577 CV     1
 OR { 3782}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 107  and name HD% )
 ASSI { 3788}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 57   and name HB2 ))
      2.400     0.700     0.700 peak  3788 spectrum    1 weight  0.10000E+01 volume  0.47596E-02 ppm1      1.010 ppm2      0.243 CV     1
 OR { 3788}
   (  segid "B   " and resid 59   and name HG1%)
   (  segid "B   " and resid 42   and name HD1%)
 ASSI { 3789}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 58   and name HN  ))
      3.300     1.300     1.300 peak  3789 spectrum    1 weight  0.10000E+01 volume  0.15632E-02 ppm1      1.010 ppm2      8.011 CV     1
 OR { 3789}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 35   and name HN  ))
 ASSI { 3790}
   (  segid "B   " and resid 59   and name HG1%)
   (  segid "B   " and resid 31   and name HE% )
      2.200     0.600     0.600 peak  3790 spectrum    1 weight  0.10000E+01 volume  0.98281E-02 ppm1      1.010 ppm2      6.882 CV     1
 OR { 3790}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 59   and name HN  ))
 ASSI { 3792}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 34   and name HB2 ))
      3.600     1.600     1.600 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.19523E-02 ppm1      1.010 ppm2      1.632 CV     1
 OR { 3792}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 110  and name HB  ))
 OR { 3792}
   (  segid "B   " and resid 59   and name HG1%)
   (  segid "B   " and resid 30   and name HB% )
 ASSI { 3794}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 108  and name HB3 ))
      4.000     2.000     2.000 peak  3794 spectrum    1 weight  0.10000E+01 volume  0.23295E-02 ppm1      1.010 ppm2      1.805 CV     1
 OR { 3794}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 60   and name HB2 ))
 OR { 3794}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 60   and name HB3 ))
 ASSI { 3795}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 62   and name HB2 ))
      4.200     2.200     1.800 peak  3795 spectrum    1 weight  0.10000E+01 volume  0.80161E-03 ppm1      1.010 ppm2      2.760 CV     1
 OR { 3795}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 31   and name HB2 ))
 OR { 3795}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 62   and name HB3 ))
 ASSI { 3798}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 59   and name HB  ))
      2.300     0.700     0.700 peak  3798 spectrum    1 weight  0.10000E+01 volume  0.73197E-02 ppm1      1.010 ppm2      2.456 CV     1
 OR { 3798}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 84   and name HB3 ))
 ASSI { 3801}
   (  segid "B   " and resid 121  and name HD2%)
   (( segid "B   " and resid 121  and name HN  ))
      4.100     2.100     1.900 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.18574E-02 ppm1      0.998 ppm2      8.575 CV     1
 OR { 3801}
   (  segid "B   " and resid 59   and name HG1%)
   (( segid "B   " and resid 60   and name HN  ))
 ASSI { 3816}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 42   and name HA  ))
      4.500     2.500     1.500 peak  3816 spectrum    1 weight  0.10000E+01 volume  0.56380E-03 ppm1      0.882 ppm2      5.016 CV     1
 OR { 3816}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 80   and name HA  ))
 ASSI { 3826}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 79   and name HA  ))
      2.600     0.900     0.900 peak  3826 spectrum    1 weight  0.10000E+01 volume  0.70931E-02 ppm1      0.882 ppm2      4.279 CV     1
 OR { 3826}
   (  segid "B   " and resid 79   and name HD2%)
   (( segid "B   " and resid 40   and name HA  ))
 ASSI { 3834}
   (  segid "B   " and resid 74   and name HD2%)
   (( segid "B   " and resid 74   and name HB3 ))
      2.300     0.600     0.600 peak  3834 spectrum    1 weight  0.10000E+01 volume  0.68583E-02 ppm1      0.168 ppm2      1.632 CV     1
 OR { 3834}
   (  segid "B   " and resid 74   and name HD2%)
   (  segid "B   " and resid 75   and name HB% )
 ASSI { 3848}
   (  segid "B   " and resid 25   and name HD2%)
   (( segid "B   " and resid 25   and name HB2 ))
      3.000     1.100     1.100 peak  3848 spectrum    1 weight  0.10000E+01 volume  0.60428E-02 ppm1      0.952 ppm2      1.632 CV     1
 OR { 3848}
   (  segid "B   " and resid 25   and name HD2%)
   (  segid "B   " and resid 30   and name HB% )
 ASSI { 3865}
   (  segid "B   " and resid 85   and name HG1%)
   (  segid "B   " and resid 41   and name HG2%)
      2.800     1.000     1.000 peak  3865 spectrum    1 weight  0.10000E+01 volume  0.15938E-01 ppm1      1.069 ppm2      0.807 CV     1
 OR { 3865}
   (  segid "B   " and resid 85   and name HG1%)
   (  segid "B   " and resid 40   and name HD1%)
 ASSI { 3908}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 25   and name HB2 ))
      4.000     2.000     2.000 peak  3908 spectrum    1 weight  0.10000E+01 volume  0.32019E-02 ppm1      0.765 ppm2      1.588 CV     1
 OR { 3908}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 43   and name HB  ))
 ASSI { 3909}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 40   and name HB  ))
      3.200     1.300     1.300 peak  3909 spectrum    1 weight  0.10000E+01 volume  0.68020E-02 ppm1      0.765 ppm2      1.849 CV     1
 OR { 3909}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 25   and name HB3 ))
 OR { 3909}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 34   and name HB3 ))
 ASSI { 3912}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 84   and name HD3 ))
      5.100     3.200     0.900 peak  3912 spectrum    1 weight  0.10000E+01 volume  0.60482E-03 ppm1      0.578 ppm2      4.149 CV     1
 OR { 3912}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 36   and name HA  ))
 ASSI { 3913}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 34   and name HG  ))
      2.700     0.900     0.900 peak  3913 spectrum    1 weight  0.10000E+01 volume  0.44937E-02 ppm1      0.578 ppm2      1.762 CV     1
 OR { 3913}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 33   and name HB3 ))
 ASSI { 3919}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak  3919 spectrum    1 weight  0.10000E+01 volume  0.36551E-02 ppm1      0.578 ppm2      7.447 CV     1
 OR { 3919}
   (  segid "B   " and resid 70   and name HD1%)
   (  segid "A   " and resid 7    and name HD% )
 ASSI { 3930}
   (  segid "B   " and resid 33   and name HD1%)
   (  segid "B   " and resid 30   and name HB% )
      3.000     1.200     1.200 peak  3930 spectrum    1 weight  0.10000E+01 volume  0.63848E-02 ppm1      0.566 ppm2      1.632 CV     1
 OR { 3930}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 74   and name HB3 ))
 OR { 3930}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 34   and name HB2 ))
 ASSI { 3934}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 67   and name HA  ))
      4.400     2.400     1.600 peak  3934 spectrum    1 weight  0.10000E+01 volume  0.11279E-02 ppm1      0.566 ppm2      3.758 CV     1
 OR { 3934}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 65   and name HA  ))
 ASSI { 3936}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 65   and name HB3 ))
      2.900     1.000     1.000 peak  3936 spectrum    1 weight  0.10000E+01 volume  0.48324E-02 ppm1      0.566 ppm2      1.502 CV     1
 OR { 3936}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 74   and name HG  ))
 ASSI { 3937}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 85   and name HN  ))
      4.800     2.800     1.200 peak  3937 spectrum    1 weight  0.10000E+01 volume  0.59580E-03 ppm1      0.566 ppm2      7.794 CV     1
 OR { 3937}
   (  segid "B   " and resid 70   and name HD1%)
   (( segid "B   " and resid 101  and name HN  ))
 ASSI { 3947}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 34   and name HB3 ))
      2.400     0.700     0.700 peak  3947 spectrum    1 weight  0.10000E+01 volume  0.50144E-02 ppm1      0.776 ppm2      1.849 CV     1
 OR { 3947}
   (  segid "B   " and resid 34   and name HD2%)
   (( segid "B   " and resid 40   and name HB  ))
 ASSI { 3966}
   (  segid "B   " and resid 15   and name HG2%)
   (( segid "B   " and resid 14   and name HA  ))
      3.500     1.600     1.600 peak  3966 spectrum    1 weight  0.10000E+01 volume  0.21970E-02 ppm1      0.461 ppm2      4.062 CV     1
 OR { 3966}
   (  segid "B   " and resid 15   and name HG2%)
   (( segid "A   " and resid 69   and name HA  ))
 ASSI { 3974}
   (  segid "B   " and resid 15   and name HG2%)
   (  segid "B   " and resid 96   and name HB% )
      3.500     1.500     1.500 peak  3974 spectrum    1 weight  0.10000E+01 volume  0.30849E-02 ppm1      0.449 ppm2      1.458 CV     1
 OR { 3974}
   (  segid "B   " and resid 15   and name HG2%)
   (( segid "B   " and resid 16   and name HG3 ))
 ASSI { 3984}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 48   and name HB3 ))
      4.900     3.000     1.100 peak  3984 spectrum    1 weight  0.10000E+01 volume  0.64874E-03 ppm1      0.355 ppm2      2.586 CV     1
 OR { 3984}
   (  segid "B   " and resid 51   and name HD1%)
   (( segid "B   " and resid 56   and name HE3 ))
 ASSI { 4000}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "B   " and resid 79   and name HA  ))
      5.500     3.700     0.500 peak  4000 spectrum    1 weight  0.10000E+01 volume  0.50843E-03 ppm1     -0.065 ppm2      4.279 CV     1
 OR { 4000}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "A   " and resid 4    and name HA2 ))
 ASSI { 4012}
   (  segid "B   " and resid 125  and name HD1%)
   (( segid "B   " and resid 120  and name HH2 ))
      3.700     1.800     1.800 peak  4012 spectrum    1 weight  0.10000E+01 volume  0.99771E-03 ppm1     -0.182 ppm2      6.839 CV     1
 OR { 4012}
   (  segid "B   " and resid 125  and name HD1%)
   (  segid "B   " and resid 31   and name HE% )
 ASSI { 4046}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 43   and name HA  ))
      4.100     2.100     1.900 peak  4046 spectrum    1 weight  0.10000E+01 volume  0.97889E-03 ppm1      0.391 ppm2      4.409 CV     1
 OR { 4046}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 58   and name HA  ))
 ASSI { 4047}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 86   and name HN  ))
      5.000     3.100     1.000 peak  4047 spectrum    1 weight  0.10000E+01 volume  0.80947E-03 ppm1      0.391 ppm2      8.748 CV     1
 OR { 4047}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 45   and name HN  ))
 ASSI { 4048}
   (  segid "B   " and resid 42   and name HD2%)
   (  segid "B   " and resid 41   and name HG2%)
      3.800     1.800     1.800 peak  4048 spectrum    1 weight  0.10000E+01 volume  0.37883E-02 ppm1      0.391 ppm2      0.807 CV     1
 OR { 4048}
   (  segid "B   " and resid 42   and name HD2%)
   (  segid "B   " and resid 87   and name HG2%)
 ASSI { 4049}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 44   and name HN  ))
      3.400     1.500     1.500 peak  4049 spectrum    1 weight  0.10000E+01 volume  0.25813E-02 ppm1      0.379 ppm2      8.445 CV     1
 OR { 4049}
   (  segid "B   " and resid 42   and name HD2%)
   (( segid "B   " and resid 63   and name HN  ))
 ASSI { 4080}
   (  segid "B   " and resid 102  and name HD1%)
   (  segid "B   " and resid 110  and name HD1%)
      2.300     0.600     0.600 peak  4080 spectrum    1 weight  0.10000E+01 volume  0.80947E-02 ppm1      0.180 ppm2      0.764 CV     1
 OR { 4080}
   (  segid "B   " and resid 102  and name HD1%)
   (( segid "B   " and resid 102  and name HB2 ))
 OR { 4080}
   (  segid "B   " and resid 102  and name HD1%)
   (  segid "B   " and resid 85   and name HG2%)
 ASSI { 4096}
   (  segid "B   " and resid 73   and name HD1%)
   (( segid "B   " and resid 76   and name HB2 ))
      2.800     1.000     1.000 peak  4096 spectrum    1 weight  0.10000E+01 volume  0.28079E-02 ppm1      0.648 ppm2      1.632 CV     1
 OR { 4096}
   (  segid "B   " and resid 70   and name HD2%)
   (( segid "B   " and resid 74   and name HB3 ))
 ASSI { 4098}
   (  segid "B   " and resid 70   and name HD2%)
   (  segid "B   " and resid 74   and name HD2%)
      4.300     2.300     1.700 peak  4098 spectrum    1 weight  0.10000E+01 volume  0.15562E-02 ppm1      0.648 ppm2      0.156 CV     1
 OR { 4098}
   (  segid "B   " and resid 70   and name HD2%)
   (  segid "B   " and resid 102  and name HD1%)
 ASSI { 4101}
   (  segid "B   " and resid 70   and name HD2%)
   (( segid "B   " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak  4101 spectrum    1 weight  0.10000E+01 volume  0.71213E-03 ppm1      0.648 ppm2      3.715 CV     1
 OR { 4101}
   (  segid "B   " and resid 70   and name HD2%)
   (( segid "B   " and resid 95   and name HA  ))
 ASSI { 4109}
   (  segid "B   " and resid 73   and name HD1%)
   (( segid "B   " and resid 76   and name HB2 ))
      2.900     1.100     1.100 peak  4109 spectrum    1 weight  0.10000E+01 volume  0.22040E-02 ppm1      0.671 ppm2      1.632 CV     1
 OR { 4109}
   (( segid "B   " and resid 125  and name HG  ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR { 4109}
   (( segid "B   " and resid 125  and name HG  ))
   (( segid "B   " and resid 28   and name HD3 ))
 ASSI { 4111}
   (  segid "B   " and resid 25   and name HD1%)
   (( segid "B   " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak  4111 spectrum    1 weight  0.10000E+01 volume  0.43250E-02 ppm1      0.589 ppm2      1.632 CV     1
 OR { 4111}
   (  segid "B   " and resid 25   and name HD1%)
   (  segid "B   " and resid 30   and name HB% )
 ASSI { 4152}
   (  segid "A   " and resid 110  and name HG2%)
   (( segid "A   " and resid 111  and name HA  ))
      3.800     1.800     1.800 peak  4152 spectrum    1 weight  0.10000E+01 volume  0.66672E-03 ppm1      0.783 ppm2      5.775 CV     1
 OR { 4152}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "A   " and resid 111  and name HA  ))
 OR { 4152}
   (  segid "A   " and resid 86   and name HG1%)
   (( segid "A   " and resid 111  and name HA  ))
 ASSI { 4175}
   (  segid "A   " and resid 59   and name HG2%)
   (  segid "A   " and resid 62   and name HE% )
      4.300     2.400     1.700 peak  4175 spectrum    1 weight  0.10000E+01 volume  0.57953E-03 ppm1      0.681 ppm2      6.527 CV     1
 OR { 4175}
   (  segid "A   " and resid 45   and name HG2%)
   (  segid "A   " and resid 62   and name HE% )
 ASSI { 4177}
   (( segid "A   " and resid 56   and name HB3 ))
   (  segid "A   " and resid 62   and name HE% )
      3.900     1.900     1.900 peak  4177 spectrum    1 weight  0.10000E+01 volume  0.14234E-02 ppm1      1.307 ppm2      6.527 CV     1
 OR { 4177}
   (( segid "A   " and resid 128  and name HB2 ))
   (  segid "A   " and resid 62   and name HE% )
 OR { 4177}
   (( segid "A   " and resid 51   and name HG  ))
   (  segid "A   " and resid 62   and name HE% )
 ASSI { 4206}
   (( segid "A   " and resid 121  and name HB3 ))
   (( segid "A   " and resid 120  and name HD1 ))
      4.600     2.700     1.400 peak  4206 spectrum    1 weight  0.10000E+01 volume  0.60601E-03 ppm1      2.161 ppm2      6.585 CV     1
 OR { 4206}
   (( segid "A   " and resid 126  and name HG3 ))
   (( segid "A   " and resid 120  and name HD1 ))
 ASSI { 4209}
   (( segid "A   " and resid 117  and name HA  ))
   (( segid "A   " and resid 120  and name HD1 ))
      4.700     2.800     1.300 peak  4209 spectrum    1 weight  0.10000E+01 volume  0.39987E-03 ppm1      4.322 ppm2      6.585 CV     1
 OR { 4209}
   (( segid "A   " and resid 55   and name HA2 ))
   (( segid "A   " and resid 120  and name HD1 ))
 ASSI { 4230}
   (( segid "A   " and resid 40   and name HG13))
   (  segid "A   " and resid 111  and name HE% )
      4.300     2.300     1.700 peak  4230 spectrum    1 weight  0.10000E+01 volume  0.81134E-03 ppm1      1.739 ppm2      6.697 CV     1
 OR { 4230}
   (( segid "A   " and resid 33   and name HB3 ))
   (  segid "A   " and resid 111  and name HE% )
 OR { 4230}
   (( segid "A   " and resid 34   and name HG  ))
   (  segid "A   " and resid 111  and name HE% )
 ASSI { 4232}
   (( segid "A   " and resid 120  and name HA  ))
   (  segid "A   " and resid 88   and name HE% )
      4.800     2.900     1.200 peak  4232 spectrum    1 weight  0.10000E+01 volume  0.44282E-03 ppm1      3.783 ppm2      6.697 CV     1
 OR { 4232}
   (( segid "A   " and resid 115  and name HA1 ))
   (  segid "A   " and resid 88   and name HE% )
 ASSI { 4233}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 88   and name HE% )
      4.400     2.400     1.600 peak  4233 spectrum    1 weight  0.10000E+01 volume  0.86874E-03 ppm1      0.249 ppm2      6.697 CV     1
 OR { 4233}
   (( segid "A   " and resid 57   and name HB2 ))
   (  segid "A   " and resid 88   and name HE% )
 OR { 4233}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 111  and name HE% )
 ASSI { 4235}
   (( segid "A   " and resid 40   and name HG12))
   (  segid "A   " and resid 111  and name HE% )
      3.500     1.500     1.500 peak  4235 spectrum    1 weight  0.10000E+01 volume  0.17844E-02 ppm1      0.945 ppm2      6.703 CV     1
 OR { 4235}
   (  segid "A   " and resid 25   and name HD2%)
   (  segid "A   " and resid 111  and name HE% )
 ASSI { 4239}
   (  segid "A   " and resid 33   and name HD1%)
   (  segid "A   " and resid 111  and name HE% )
      3.100     1.200     1.200 peak  4239 spectrum    1 weight  0.10000E+01 volume  0.18837E-02 ppm1      0.564 ppm2      6.703 CV     1
 OR { 4239}
   (  segid "A   " and resid 25   and name HD1%)
   (  segid "A   " and resid 111  and name HE% )
 ASSI { 4241}
   (( segid "A   " and resid 84   and name HB2 ))
   (  segid "A   " and resid 111  and name HE% )
      3.300     1.300     1.300 peak  4241 spectrum    1 weight  0.10000E+01 volume  0.80029E-03 ppm1      1.912 ppm2      6.703 CV     1
 OR { 4241}
   (( segid "A   " and resid 86   and name HB  ))
   (  segid "A   " and resid 111  and name HE% )
 ASSI { 4255}
   (( segid "A   " and resid 40   and name HB  ))
   (  segid "A   " and resid 111  and name HE% )
      4.500     2.600     1.500 peak  4255 spectrum    1 weight  0.10000E+01 volume  0.97526E-03 ppm1      1.825 ppm2      6.703 CV     1
 OR { 4255}
   (( segid "A   " and resid 25   and name HB3 ))
   (  segid "A   " and resid 111  and name HE% )
 OR { 4255}
   (( segid "A   " and resid 108  and name HB3 ))
   (  segid "A   " and resid 111  and name HE% )
 ASSI { 4257}
   (( segid "A   " and resid 25   and name HB2 ))
   (  segid "A   " and resid 111  and name HE% )
      4.300     2.300     1.700 peak  4257 spectrum    1 weight  0.10000E+01 volume  0.95040E-03 ppm1      1.632 ppm2      6.703 CV     1
 OR { 4257}
   (  segid "A   " and resid 30   and name HB% )
   (  segid "A   " and resid 111  and name HE% )
 ASSI { 4260}
   (  segid "A   " and resid 40   and name HD1%)
   (  segid "A   " and resid 111  and name HE% )
      3.000     1.200     1.200 peak  4260 spectrum    1 weight  0.10000E+01 volume  0.26570E-02 ppm1      0.783 ppm2      6.703 CV     1
 OR { 4260}
   (  segid "A   " and resid 86   and name HG1%)
   (  segid "A   " and resid 111  and name HE% )
 OR { 4260}
   (  segid "A   " and resid 85   and name HG2%)
   (  segid "A   " and resid 111  and name HE% )
 ASSI { 4262}
   (  segid "A   " and resid 23   and name HG2%)
   (  segid "A   " and resid 111  and name HE% )
      3.700     1.700     1.700 peak  4262 spectrum    1 weight  0.10000E+01 volume  0.19361E-02 ppm1      0.818 ppm2      6.703 CV     1
 OR { 4262}
   (  segid "A   " and resid 86   and name HG2%)
   (  segid "A   " and resid 111  and name HE% )
 ASSI { 4264}
   (( segid "A   " and resid 84   and name HG2 ))
   (  segid "A   " and resid 111  and name HE% )
      3.200     1.200     1.200 peak  4264 spectrum    1 weight  0.10000E+01 volume  0.24594E-02 ppm1      2.059 ppm2      6.703 CV     1
 OR { 4264}
   (( segid "A   " and resid 23   and name HB  ))
   (  segid "A   " and resid 111  and name HE% )
 ASSI { 4278}
   (( segid "A   " and resid 42   and name HG  ))
   (  segid "A   " and resid 62   and name HD% )
      3.900     1.900     1.900 peak  4278 spectrum    1 weight  0.10000E+01 volume  0.54057E-03 ppm1      1.281 ppm2      6.744 CV     1
 OR { 4278}
   (( segid "A   " and resid 63   and name HG3 ))
   (  segid "A   " and resid 62   and name HD% )
 OR { 4278}
   (( segid "A   " and resid 43   and name HG13))
   (  segid "A   " and resid 62   and name HD% )
 ASSI { 4279}
   (( segid "A   " and resid 57   and name HB3 ))
   (  segid "A   " and resid 62   and name HD% )
      4.600     2.700     1.400 peak  4279 spectrum    1 weight  0.10000E+01 volume  0.51097E-03 ppm1      0.793 ppm2      6.744 CV     1
 OR { 4279}
   (  segid "A   " and resid 41   and name HG2%)
   (  segid "A   " and resid 62   and name HD% )
 OR { 4279}
   (  segid "A   " and resid 34   and name HD2%)
   (  segid "A   " and resid 62   and name HD% )
 ASSI { 4281}
   (( segid "A   " and resid 56   and name HD3 ))
   (  segid "A   " and resid 62   and name HD% )
      3.900     1.900     1.900 peak  4281 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      1.174 ppm2      6.744 CV     1
 OR { 4281}
   (( segid "A   " and resid 57   and name HG3 ))
   (  segid "A   " and resid 62   and name HD% )
 OR { 4281}
   (( segid "A   " and resid 56   and name HB2 ))
   (  segid "A   " and resid 62   and name HD% )
 ASSI { 4289}
   (  segid "A   " and resid 34   and name HD1%)
   (  segid "A   " and resid 62   and name HD% )
      4.400     2.400     1.600 peak  4289 spectrum    1 weight  0.10000E+01 volume  0.79257E-03 ppm1      0.935 ppm2      6.744 CV     1
 OR { 4289}
   (( segid "A   " and resid 56   and name HG2 ))
   (  segid "A   " and resid 62   and name HD% )
 ASSI { 4292}
   (( segid "A   " and resid 63   and name HD2 ))
   (  segid "A   " and resid 62   and name HD% )
      4.300     2.400     1.700 peak  4292 spectrum    1 weight  0.10000E+01 volume  0.54912E-03 ppm1      1.510 ppm2      6.744 CV     1
 OR { 4292}
   (( segid "A   " and resid 42   and name HB2 ))
   (  segid "A   " and resid 62   and name HD% )
 ASSI { 4294}
   (( segid "A   " and resid 42   and name HG  ))
   (  segid "A   " and resid 62   and name HD% )
      3.700     1.700     1.700 peak  4294 spectrum    1 weight  0.10000E+01 volume  0.87204E-03 ppm1      1.312 ppm2      6.744 CV     1
 OR { 4294}
   (( segid "A   " and resid 63   and name HG3 ))
   (  segid "A   " and resid 62   and name HD% )
 OR { 4294}
   (( segid "A   " and resid 43   and name HG13))
   (  segid "A   " and resid 62   and name HD% )
 OR { 4294}
   (( segid "A   " and resid 128  and name HB2 ))
   (  segid "A   " and resid 62   and name HD% )
 ASSI { 4303}
   (  segid "A   " and resid 102  and name HD2%)
   (( segid "B   " and resid 7    and name HZ  ))
      3.600     1.600     1.600 peak  4303 spectrum    1 weight  0.10000E+01 volume  0.17728E-02 ppm1     -0.077 ppm2      6.832 CV     1
 OR { 4303}
   (  segid "A   " and resid 74   and name HD1%)
   (( segid "B   " and resid 7    and name HZ  ))
 ASSI { 4306}
   (  segid "A   " and resid 75   and name HB% )
   (( segid "B   " and resid 7    and name HZ  ))
      3.500     1.500     1.500 peak  4306 spectrum    1 weight  0.10000E+01 volume  0.22303E-02 ppm1      1.637 ppm2      6.832 CV     1
 OR { 4306}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "B   " and resid 7    and name HZ  ))
 ASSI { 4307}
   (( segid "A   " and resid 4    and name HA2 ))
   (( segid "A   " and resid 7    and name HZ  ))
      4.000     2.000     2.000 peak  4307 spectrum    1 weight  0.10000E+01 volume  0.79698E-03 ppm1      4.261 ppm2      6.832 CV     1
 OR { 4307}
   (( segid "A   " and resid 79   and name HA  ))
   (( segid "B   " and resid 7    and name HZ  ))
 ASSI { 4315}
   (( segid "A   " and resid 74   and name HG  ))
   (( segid "B   " and resid 7    and name HZ  ))
      4.200     2.200     1.800 peak  4315 spectrum    1 weight  0.10000E+01 volume  0.58118E-03 ppm1      1.490 ppm2      6.838 CV     1
 OR { 4315}
   (( segid "A   " and resid 42   and name HB2 ))
   (( segid "A   " and resid 120  and name HH2 ))
 ASSI { 4319}
   (( segid "A   " and resid 35   and name HG2 ))
   (  segid "A   " and resid 31   and name HE% )
      2.700     0.900     0.900 peak  4319 spectrum    1 weight  0.10000E+01 volume  0.51186E-02 ppm1      1.861 ppm2      6.849 CV     1
 OR { 4319}
   (( segid "A   " and resid 34   and name HB3 ))
   (  segid "A   " and resid 31   and name HE% )
 OR { 4319}
   (( segid "A   " and resid 35   and name HB2 ))
   (  segid "A   " and resid 31   and name HE% )
 ASSI { 4321}
   (( segid "A   " and resid 59   and name HB  ))
   (  segid "A   " and resid 31   and name HE% )
      3.500     1.600     1.600 peak  4321 spectrum    1 weight  0.10000E+01 volume  0.11833E-02 ppm1      2.446 ppm2      6.849 CV     1
 OR { 4321}
   (( segid "A   " and resid 126  and name HB3 ))
   (  segid "A   " and resid 31   and name HE% )
 ASSI { 4333}
   (( segid "A   " and resid 125  and name HA  ))
   (  segid "A   " and resid 31   and name HE% )
      4.100     2.100     1.900 peak  4333 spectrum    1 weight  0.10000E+01 volume  0.71199E-03 ppm1      3.865 ppm2      6.849 CV     1
 OR { 4333}
   (( segid "A   " and resid 35   and name HA  ))
   (  segid "A   " and resid 31   and name HE% )
 ASSI { 4338}
   (( segid "A   " and resid 59   and name HB  ))
   (  segid "A   " and resid 31   and name HE% )
      3.500     1.600     1.600 peak  4338 spectrum    1 weight  0.10000E+01 volume  0.98739E-03 ppm1      2.481 ppm2      6.849 CV     1
 OR { 4338}
   (( segid "A   " and resid 126  and name HD2 ))
   (  segid "A   " and resid 31   and name HE% )
 ASSI { 4369}
   (( segid "A   " and resid 42   and name HG  ))
   (  segid "A   " and resid 88   and name HD% )
      3.800     1.800     1.800 peak  4369 spectrum    1 weight  0.10000E+01 volume  0.14096E-02 ppm1      1.317 ppm2      6.931 CV     1
 OR { 4369}
   (( segid "A   " and resid 56   and name HB3 ))
   (  segid "A   " and resid 88   and name HD% )
 ASSI { 4374}
   (  segid "A   " and resid 34   and name HD1%)
   (  segid "A   " and resid 88   and name HD% )
      4.100     2.100     1.900 peak  4374 spectrum    1 weight  0.10000E+01 volume  0.76717E-03 ppm1      0.945 ppm2      6.931 CV     1
 OR { 4374}
   (( segid "A   " and resid 56   and name HG2 ))
   (  segid "A   " and resid 88   and name HD% )
 ASSI { 4378}
   (( segid "A   " and resid 27   and name HD3 ))
   (  segid "A   " and resid 88   and name HD% )
      4.000     2.000     2.000 peak  4378 spectrum    1 weight  0.10000E+01 volume  0.36229E-03 ppm1      4.017 ppm2      6.931 CV     1
 OR { 4378}
   (( segid "A   " and resid 57   and name HA  ))
   (  segid "A   " and resid 88   and name HD% )
 ASSI { 4382}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 88   and name HD% )
      3.400     1.400     1.400 peak  4382 spectrum    1 weight  0.10000E+01 volume  0.27843E-02 ppm1      0.259 ppm2      6.931 CV     1
 OR { 4382}
   (( segid "A   " and resid 57   and name HB2 ))
   (  segid "A   " and resid 88   and name HD% )
 ASSI { 4417}
   (  segid "A   " and resid 13   and name HB% )
   (  segid "B   " and resid 105  and name HE% )
      3.400     1.400     1.400 peak  4417 spectrum    1 weight  0.10000E+01 volume  0.21895E-02 ppm1      1.525 ppm2      6.967 CV     1
 OR { 4417}
   (( segid "A   " and resid 74   and name HG  ))
   (  segid "A   " and resid 105  and name HE% )
 ASSI { 4419}
   (( segid "A   " and resid 104  and name HG3 ))
   (  segid "A   " and resid 105  and name HE% )
      5.000     3.100     1.000 peak  4419 spectrum    1 weight  0.10000E+01 volume  0.44569E-03 ppm1      2.568 ppm2      6.972 CV     1
 OR { 4419}
   (( segid "A   " and resid 29   and name HB2 ))
   (  segid "A   " and resid 111  and name HD% )
 ASSI { 4426}
   (( segid "A   " and resid 85   and name HN  ))
   (  segid "A   " and resid 111  and name HD% )
      3.900     1.900     1.900 peak  4426 spectrum    1 weight  0.10000E+01 volume  0.60547E-03 ppm1      7.791 ppm2      6.972 CV     1
 OR { 4426}
   (( segid "A   " and resid 106  and name HN  ))
   (  segid "A   " and resid 105  and name HE% )
 ASSI { 4434}
   (( segid "A   " and resid 34   and name HG  ))
   (  segid "A   " and resid 111  and name HD% )
      3.800     1.800     1.800 peak  4434 spectrum    1 weight  0.10000E+01 volume  0.14234E-02 ppm1      1.754 ppm2      6.972 CV     1
 OR { 4434}
   (( segid "A   " and resid 33   and name HB3 ))
   (  segid "A   " and resid 111  and name HD% )
 OR { 4434}
   (( segid "A   " and resid 103  and name HG2 ))
   (  segid "A   " and resid 105  and name HE% )
 ASSI { 4436}
   (( segid "A   " and resid 104  and name HA  ))
   (  segid "A   " and resid 105  and name HE% )
      4.700     2.700     1.300 peak  4436 spectrum    1 weight  0.10000E+01 volume  0.40754E-03 ppm1      4.129 ppm2      6.972 CV     1
 OR { 4436}
   (( segid "A   " and resid 13   and name HA  ))
   (  segid "B   " and resid 105  and name HE% )
 OR { 4436}
   (( segid "A   " and resid 9    and name HA  ))
   (  segid "B   " and resid 105  and name HE% )
 OR { 4436}
   (( segid "A   " and resid 84   and name HD3 ))
   (  segid "A   " and resid 111  and name HD% )
 ASSI { 4438}
   (( segid "A   " and resid 110  and name HG12))
   (  segid "A   " and resid 111  and name HD% )
      5.100     3.200     0.900 peak  4438 spectrum    1 weight  0.10000E+01 volume  0.55031E-03 ppm1      1.312 ppm2      6.972 CV     1
 OR { 4438}
   (( segid "A   " and resid 42   and name HG  ))
   (  segid "A   " and resid 111  and name HD% )
 ASSI { 4442}
   (( segid "A   " and resid 25   and name HA  ))
   (  segid "A   " and resid 111  and name HD% )
      4.400     2.500     1.600 peak  4442 spectrum    1 weight  0.10000E+01 volume  0.82070E-03 ppm1      5.065 ppm2      6.978 CV     1
 OR { 4442}
   (( segid "A   " and resid 42   and name HA  ))
   (  segid "A   " and resid 111  and name HD% )
 ASSI { 4460}
   (  segid "A   " and resid 86   and name HG1%)
   (  segid "A   " and resid 111  and name HD% )
      3.000     1.100     1.100 peak  4460 spectrum    1 weight  0.10000E+01 volume  0.40529E-02 ppm1      0.778 ppm2      6.978 CV     1
 OR { 4460}
   (  segid "A   " and resid 85   and name HG2%)
   (  segid "A   " and resid 111  and name HD% )
 OR { 4460}
   (  segid "A   " and resid 87   and name HG2%)
   (  segid "A   " and resid 111  and name HD% )
 ASSI { 4467}
   (( segid "A   " and resid 44   and name HB2 ))
   (( segid "A   " and resid 64   and name HD2 ))
      4.400     2.400     1.600 peak  4467 spectrum    1 weight  0.10000E+01 volume  0.62532E-03 ppm1      2.308 ppm2      7.019 CV     1
 OR { 4467}
   (( segid "A   " and resid 45   and name HB  ))
   (( segid "A   " and resid 64   and name HD2 ))
 ASSI { 4475}
   (( segid "A   " and resid 65   and name HA  ))
   (( segid "A   " and resid 64   and name HD2 ))
      3.800     1.800     1.800 peak  4475 spectrum    1 weight  0.10000E+01 volume  0.77324E-03 ppm1      3.793 ppm2      7.019 CV     1
 OR { 4475}
   (( segid "A   " and resid 66   and name HA  ))
   (( segid "A   " and resid 64   and name HD2 ))
 ASSI { 4480}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 64   and name HD2 ))
      2.700     0.900     0.900 peak  4480 spectrum    1 weight  0.10000E+01 volume  0.23644E-02 ppm1      2.934 ppm2      7.019 CV     1
 OR { 4480}
   (( segid "A   " and resid 44   and name HB3 ))
   (( segid "A   " and resid 64   and name HD2 ))
 ASSI { 4505}
   (( segid "A   " and resid 102  and name HB2 ))
   (( segid "B   " and resid 11   and name HZ  ))
      3.700     1.700     1.700 peak  4505 spectrum    1 weight  0.10000E+01 volume  0.17982E-02 ppm1      0.778 ppm2      7.025 CV     1
 OR { 4505}
   (  segid "A   " and resid 15   and name HG1%)
   (( segid "A   " and resid 11   and name HZ  ))
 OR { 4505}
   (  segid "A   " and resid 87   and name HG2%)
   (( segid "B   " and resid 11   and name HZ  ))
 ASSI { 4512}
   (( segid "A   " and resid 97   and name HB3 ))
   (( segid "B   " and resid 11   and name HZ  ))
      3.100     1.200     1.200 peak  4512 spectrum    1 weight  0.10000E+01 volume  0.13125E-02 ppm1      1.952 ppm2      7.025 CV     1
 OR { 4512}
   (( segid "A   " and resid 14   and name HB2 ))
   (( segid "A   " and resid 11   and name HZ  ))
 ASSI { 4513}
   (  segid "A   " and resid 87   and name HG1%)
   (( segid "B   " and resid 11   and name HZ  ))
      4.300     2.400     1.700 peak  4513 spectrum    1 weight  0.10000E+01 volume  0.10509E-02 ppm1      0.859 ppm2      7.025 CV     1
 OR { 4513}
   (  segid "A   " and resid 45   and name HG1%)
   (( segid "B   " and resid 11   and name HZ  ))
 ASSI { 4515}
   (  segid "A   " and resid 97   and name HD2%)
   (( segid "B   " and resid 11   and name HZ  ))
      4.100     2.100     1.900 peak  4515 spectrum    1 weight  0.10000E+01 volume  0.96199E-03 ppm1      0.722 ppm2      7.025 CV     1
 OR { 4515}
   (  segid "A   " and resid 79   and name HD1%)
   (( segid "B   " and resid 11   and name HZ  ))
 ASSI { 4528}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 120  and name HZ2 ))
      3.800     1.800     1.800 peak  4528 spectrum    1 weight  0.10000E+01 volume  0.80581E-03 ppm1      4.017 ppm2      7.031 CV     1
 OR { 4528}
   (( segid "A   " and resid 27   and name HD3 ))
   (( segid "A   " and resid 120  and name HZ3 ))
 ASSI { 4533}
   (  segid "A   " and resid 25   and name HD1%)
   (( segid "A   " and resid 120  and name HZ3 ))
      4.400     2.400     1.600 peak  4533 spectrum    1 weight  0.10000E+01 volume  0.67887E-03 ppm1      0.579 ppm2      7.031 CV     1
 OR { 4533}
   (  segid "A   " and resid 33   and name HD1%)
   (( segid "A   " and resid 120  and name HZ3 ))
 ASSI { 4534}
   (( segid "A   " and resid 125  and name HA  ))
   (( segid "A   " and resid 120  and name HZ2 ))
      4.100     2.100     1.900 peak  4534 spectrum    1 weight  0.10000E+01 volume  0.99402E-03 ppm1      3.859 ppm2      7.031 CV     1
 OR { 4534}
   (( segid "A   " and resid 125  and name HA  ))
   (( segid "A   " and resid 120  and name HZ3 ))
 OR { 4534}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 120  and name HZ2 ))
 OR { 4534}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 120  and name HZ3 ))
 ASSI { 4535}
   (( segid "A   " and resid 79   and name HA  ))
   (  segid "A   " and resid 107  and name HE% )
      4.200     2.200     1.800 peak  4535 spectrum    1 weight  0.10000E+01 volume  0.87039E-03 ppm1      4.261 ppm2      7.084 CV     1
 OR { 4535}
   (( segid "A   " and resid 4    and name HA2 ))
   (  segid "B   " and resid 107  and name HE% )
 ASSI { 4538}
   (( segid "A   " and resid 81   and name HA  ))
   (  segid "A   " and resid 107  and name HE% )
      3.500     1.600     1.600 peak  4538 spectrum    1 weight  0.10000E+01 volume  0.12943E-02 ppm1      3.549 ppm2      7.084 CV     1
 OR { 4538}
   (( segid "A   " and resid 99   and name HA1 ))
   (  segid "A   " and resid 107  and name HE% )
 ASSI { 4544}
   (( segid "A   " and resid 105  and name HB3 ))
   (  segid "A   " and resid 107  and name HE% )
      4.300     2.300     1.700 peak  4544 spectrum    1 weight  0.10000E+01 volume  0.87204E-03 ppm1      3.493 ppm2      7.084 CV     1
 OR { 4544}
   (( segid "A   " and resid 74   and name HA  ))
   (  segid "A   " and resid 107  and name HE% )
 ASSI { 4546}
   (  segid "A   " and resid 70   and name HD1%)
   (  segid "A   " and resid 107  and name HE% )
      5.000     3.100     1.000 peak  4546 spectrum    1 weight  0.10000E+01 volume  0.54287E-03 ppm1      0.549 ppm2      7.084 CV     1
 OR { 4546}
   (( segid "A   " and resid 74   and name HB2 ))
   (  segid "A   " and resid 107  and name HE% )
 ASSI { 4547}
   (  segid "A   " and resid 102  and name HD1%)
   (  segid "A   " and resid 107  and name HE% )
      3.100     1.200     1.200 peak  4547 spectrum    1 weight  0.10000E+01 volume  0.27976E-02 ppm1      0.157 ppm2      7.084 CV     1
 OR { 4547}
   (  segid "A   " and resid 74   and name HD2%)
   (  segid "A   " and resid 107  and name HE% )
 ASSI { 4550}
   (( segid "A   " and resid 34   and name HB2 ))
   (  segid "A   " and resid 31   and name HD% )
      3.000     1.100     1.100 peak  4550 spectrum    1 weight  0.10000E+01 volume  0.26592E-02 ppm1      1.622 ppm2      7.090 CV     1
 OR { 4550}
   (  segid "A   " and resid 30   and name HB% )
   (  segid "A   " and resid 31   and name HD% )
 ASSI { 4553}
   (( segid "A   " and resid 34   and name HB3 ))
   (  segid "A   " and resid 31   and name HD% )
      3.300     1.400     1.400 peak  4553 spectrum    1 weight  0.10000E+01 volume  0.14593E-02 ppm1      1.886 ppm2      7.090 CV     1
 OR { 4553}
   (( segid "A   " and resid 35   and name HG2 ))
   (  segid "A   " and resid 31   and name HD% )
 ASSI { 4555}
   (( segid "A   " and resid 126  and name HG2 ))
   (  segid "A   " and resid 31   and name HD% )
      3.800     1.800     1.800 peak  4555 spectrum    1 weight  0.10000E+01 volume  0.79918E-03 ppm1      1.952 ppm2      7.090 CV     1
 OR { 4555}
   (( segid "A   " and resid 35   and name HG3 ))
   (  segid "A   " and resid 31   and name HD% )
 ASSI { 4558}
   (( segid "A   " and resid 34   and name HB3 ))
   (  segid "A   " and resid 31   and name HD% )
      3.300     1.400     1.400 peak  4558 spectrum    1 weight  0.10000E+01 volume  0.15901E-02 ppm1      1.861 ppm2      7.090 CV     1
 OR { 4558}
   (( segid "A   " and resid 35   and name HG2 ))
   (  segid "A   " and resid 31   and name HD% )
 OR { 4558}
   (( segid "A   " and resid 32   and name HB2 ))
   (  segid "A   " and resid 31   and name HD% )
 ASSI { 4567}
   (( segid "A   " and resid 57   and name HB2 ))
   (  segid "A   " and resid 31   and name HD% )
      4.700     2.800     1.300 peak  4567 spectrum    1 weight  0.10000E+01 volume  0.54988E-03 ppm1      0.254 ppm2      7.090 CV     1
 OR { 4567}
   (  segid "A   " and resid 42   and name HD1%)
   (  segid "A   " and resid 31   and name HD% )
 ASSI { 4574}
   (( segid "A   " and resid 42   and name HB3 ))
   (  segid "A   " and resid 31   and name HD% )
      3.800     1.800     1.800 peak  4574 spectrum    1 weight  0.10000E+01 volume  0.13953E-02 ppm1      1.693 ppm2      7.090 CV     1
 OR { 4574}
   (( segid "A   " and resid 28   and name HB3 ))
   (  segid "A   " and resid 31   and name HD% )
 OR { 4574}
   (( segid "A   " and resid 28   and name HB2 ))
   (  segid "A   " and resid 31   and name HD% )
 ASSI { 4590}
   (( segid "A   " and resid 70   and name HB3 ))
   (  segid "B   " and resid 11   and name HE% )
      3.300     1.400     1.400 peak  4590 spectrum    1 weight  0.10000E+01 volume  0.50396E-02 ppm1      1.678 ppm2      7.172 CV     1
 OR { 4590}
   (( segid "A   " and resid 74   and name HB3 ))
   (  segid "B   " and resid 11   and name HE% )
 ASSI { 4592}
   (  segid "A   " and resid 79   and name HD1%)
   (  segid "B   " and resid 11   and name HE% )
      4.100     2.100     1.900 peak  4592 spectrum    1 weight  0.10000E+01 volume  0.13947E-02 ppm1      0.722 ppm2      7.172 CV     1
 OR { 4592}
   (  segid "A   " and resid 97   and name HD2%)
   (  segid "B   " and resid 11   and name HE% )
 ASSI { 4593}
   (( segid "A   " and resid 70   and name HG  ))
   (  segid "B   " and resid 11   and name HE% )
      2.600     0.900     0.900 peak  4593 spectrum    1 weight  0.10000E+01 volume  0.40339E-02 ppm1      1.012 ppm2      7.172 CV     1
 OR { 4593}
   (  segid "A   " and resid 97   and name HD1%)
   (  segid "B   " and resid 11   and name HE% )
 ASSI { 4595}
   (  segid "A   " and resid 10   and name HG2%)
   (  segid "A   " and resid 11   and name HD% )
      5.200     3.300     0.800 peak  4595 spectrum    1 weight  0.10000E+01 volume  0.48519E-03 ppm1      0.493 ppm2      7.371 CV     1
 OR { 4595}
   (  segid "A   " and resid 43   and name HD1%)
   (  segid "B   " and resid 11   and name HD% )
 ASSI { 4598}
   (( segid "A   " and resid 102  and name HB3 ))
   (  segid "B   " and resid 11   and name HD% )
      4.600     2.700     1.400 peak  4598 spectrum    1 weight  0.10000E+01 volume  0.67389E-03 ppm1      1.815 ppm2      7.371 CV     1
 OR { 4598}
   (( segid "A   " and resid 12   and name HB3 ))
   (  segid "A   " and resid 11   and name HD% )
 ASSI { 4599}
   (( segid "A   " and resid 12   and name HB3 ))
   (  segid "A   " and resid 11   and name HD% )
      4.600     2.700     1.400 peak  4599 spectrum    1 weight  0.10000E+01 volume  0.50656E-03 ppm1      1.835 ppm2      7.371 CV     1
 OR { 4599}
   (( segid "A   " and resid 6    and name HB2 ))
   (  segid "A   " and resid 11   and name HD% )
 ASSI { 4605}
   (( segid "A   " and resid 74   and name HB3 ))
   (  segid "B   " and resid 11   and name HD% )
      3.800     1.800     1.800 peak  4605 spectrum    1 weight  0.10000E+01 volume  0.16629E-02 ppm1      1.668 ppm2      7.371 CV     1
 OR { 4605}
   (( segid "A   " and resid 70   and name HB3 ))
   (  segid "B   " and resid 11   and name HD% )
 OR { 4605}
   (  segid "A   " and resid 75   and name HB% )
   (  segid "B   " and resid 11   and name HD% )
 ASSI { 4607}
   (( segid "A   " and resid 12   and name HA  ))
   (  segid "A   " and resid 11   and name HD% )
      3.100     1.200     1.200 peak  4607 spectrum    1 weight  0.10000E+01 volume  0.18484E-02 ppm1      3.422 ppm2      7.371 CV     1
 OR { 4607}
   (( segid "A   " and resid 7    and name HB3 ))
   (  segid "A   " and resid 11   and name HD% )
 ASSI { 4616}
   (( segid "A   " and resid 8    and name HB2 ))
   (  segid "A   " and resid 11   and name HD% )
      5.900     4.300     0.100 peak  4616 spectrum    1 weight  0.10000E+01 volume  0.26106E-03 ppm1      2.878 ppm2      7.371 CV     1
 OR { 4616}
   (( segid "A   " and resid 14   and name HG3 ))
   (  segid "A   " and resid 11   and name HD% )
 ASSI { 4629}
   (( segid "A   " and resid 119  and name HA  ))
   (( segid "A   " and resid 119  and name HN  ))
      2.500     0.800     0.800 peak  4629 spectrum    1 weight  0.10000E+01 volume  0.42305E-02 ppm1      4.307 ppm2      7.436 CV     1
 OR { 4629}
   (( segid "A   " and resid 10   and name HB  ))
   (  segid "B   " and resid 105  and name HD% )
 ASSI { 4632}
   (  segid "A   " and resid 74   and name HD2%)
   (  segid "A   " and resid 105  and name HD% )
      4.200     2.200     1.800 peak  4632 spectrum    1 weight  0.10000E+01 volume  0.54403E-03 ppm1      0.157 ppm2      7.436 CV     1
 OR { 4632}
   (  segid "A   " and resid 102  and name HD1%)
   (  segid "A   " and resid 105  and name HD% )
 ASSI { 4638}
   (( segid "A   " and resid 115  and name HA2 ))
   (( segid "A   " and resid 119  and name HN  ))
      3.700     1.700     1.700 peak  4638 spectrum    1 weight  0.10000E+01 volume  0.13936E-02 ppm1      4.078 ppm2      7.436 CV     1
 OR { 4638}
   (( segid "A   " and resid 101  and name HA  ))
   (  segid "A   " and resid 105  and name HD% )
 ASSI { 4643}
   (( segid "A   " and resid 102  and name HG  ))
   (  segid "B   " and resid 7    and name HD% )
      4.200     2.200     1.800 peak  4643 spectrum    1 weight  0.10000E+01 volume  0.96974E-03 ppm1      1.596 ppm2      7.454 CV     1
 OR { 4643}
   (( segid "A   " and resid 6    and name HD3 ))
   (  segid "A   " and resid 7    and name HD% )
 OR { 4643}
   (  segid "A   " and resid 9    and name HB% )
   (  segid "A   " and resid 7    and name HD% )
 ASSI { 4652}
   (( segid "A   " and resid 6    and name HG2 ))
   (  segid "A   " and resid 7    and name HD% )
      4.200     2.300     1.800 peak  4652 spectrum    1 weight  0.10000E+01 volume  0.83562E-03 ppm1      1.383 ppm2      7.454 CV     1
 OR { 4652}
   (( segid "A   " and resid 79   and name HG  ))
   (  segid "B   " and resid 7    and name HD% )
 ASSI { 4653}
   (( segid "A   " and resid 3    and name HB3 ))
   (  segid "A   " and resid 7    and name HD% )
      3.100     1.200     1.200 peak  4653 spectrum    1 weight  0.10000E+01 volume  0.33800E-02 ppm1      1.663 ppm2      7.454 CV     1
 OR { 4653}
   (( segid "A   " and resid 74   and name HB3 ))
   (  segid "B   " and resid 7    and name HD% )
 OR { 4653}
   (  segid "A   " and resid 75   and name HB% )
   (  segid "B   " and resid 7    and name HD% )
 ASSI { 4660}
   (( segid "A   " and resid 4    and name HA2 ))
   (  segid "A   " and resid 7    and name HD% )
      3.400     1.500     1.500 peak  4660 spectrum    1 weight  0.10000E+01 volume  0.31924E-02 ppm1      4.226 ppm2      7.459 CV     1
 OR { 4660}
   (( segid "A   " and resid 6    and name HA  ))
   (  segid "A   " and resid 7    and name HD% )
 ASSI { 4663}
   (( segid "A   " and resid 74   and name HB2 ))
   (  segid "B   " and resid 7    and name HD% )
      4.200     2.200     1.800 peak  4663 spectrum    1 weight  0.10000E+01 volume  0.16298E-02 ppm1      0.554 ppm2      7.459 CV     1
 OR { 4663}
   (  segid "A   " and resid 70   and name HD1%)
   (  segid "B   " and resid 7    and name HD% )
 ASSI { 4680}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "B   " and resid 7    and name HE% )
      3.000     1.100     1.100 peak  4680 spectrum    1 weight  0.10000E+01 volume  0.32154E-02 ppm1     -0.092 ppm2      7.571 CV     1
 OR { 4680}
   (  segid "A   " and resid 74   and name HD1%)
   (  segid "B   " and resid 7    and name HE% )
 OR { 4680}
   (  segid "A   " and resid 102  and name HD2%)
   (  segid "A   " and resid 107  and name HD% )
 ASSI { 4682}
   (( segid "A   " and resid 97   and name HB3 ))
   (( segid "A   " and resid 96   and name HN  ))
      4.200     2.200     1.800 peak  4682 spectrum    1 weight  0.10000E+01 volume  0.11712E-02 ppm1      1.927 ppm2      7.571 CV     1
 OR { 4682}
   (( segid "A   " and resid 83   and name HB2 ))
   (  segid "A   " and resid 107  and name HD% )
 OR { 4682}
   (  segid "A   " and resid 3    and name HE% )
   (  segid "A   " and resid 7    and name HE% )
 OR { 4682}
   (( segid "A   " and resid 100  and name HB2 ))
   (( segid "A   " and resid 96   and name HN  ))
 ASSI { 4683}
   (( segid "A   " and resid 103  and name HG3 ))
   (  segid "A   " and resid 107  and name HD% )
      3.900     1.900     1.900 peak  4683 spectrum    1 weight  0.10000E+01 volume  0.14063E-02 ppm1      1.902 ppm2      7.571 CV     1
 OR { 4683}
   (( segid "A   " and resid 84   and name HB2 ))
   (  segid "A   " and resid 107  and name HD% )
 OR { 4683}
   (( segid "A   " and resid 83   and name HB2 ))
   (  segid "A   " and resid 107  and name HD% )
 OR { 4683}
   (  segid "A   " and resid 3    and name HE% )
   (  segid "A   " and resid 7    and name HE% )
 OR { 4683}
   (( segid "A   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 96   and name HN  ))
 ASSI { 4685}
   (( segid "A   " and resid 85   and name HB  ))
   (  segid "A   " and resid 107  and name HD% )
      4.700     2.800     1.300 peak  4685 spectrum    1 weight  0.10000E+01 volume  0.72742E-03 ppm1      1.963 ppm2      7.571 CV     1
 OR { 4685}
   (( segid "A   " and resid 97   and name HB3 ))
   (( segid "A   " and resid 96   and name HN  ))
 OR { 4685}
   (( segid "A   " and resid 100  and name HB2 ))
   (( segid "A   " and resid 96   and name HN  ))
 ASSI { 4686}
   (( segid "A   " and resid 3    and name HB3 ))
   (  segid "A   " and resid 7    and name HE% )
      2.800     1.000     1.000 peak  4686 spectrum    1 weight  0.10000E+01 volume  0.52543E-02 ppm1      1.688 ppm2      7.571 CV     1
 OR { 4686}
   (( segid "A   " and resid 74   and name HB3 ))
   (  segid "B   " and resid 7    and name HE% )
 OR { 4686}
   (( segid "A   " and resid 97   and name HB2 ))
   (( segid "A   " and resid 96   and name HN  ))
 OR { 4686}
   (( segid "A   " and resid 3    and name HB2 ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI { 4693}
   (( segid "A   " and resid 105  and name HB3 ))
   (  segid "A   " and resid 107  and name HD% )
      3.800     1.800     1.800 peak  4693 spectrum    1 weight  0.10000E+01 volume  0.24814E-02 ppm1      3.493 ppm2      7.571 CV     1
 OR { 4693}
   (( segid "A   " and resid 74   and name HA  ))
   (  segid "B   " and resid 7    and name HE% )
 OR { 4693}
   (( segid "A   " and resid 112  and name HB3 ))
   (( segid "A   " and resid 96   and name HN  ))
 ASSI { 4694}
   (( segid "A   " and resid 107  and name HN  ))
   (  segid "A   " and resid 107  and name HD% )
      3.600     1.600     1.600 peak  4694 spectrum    1 weight  0.10000E+01 volume  0.11955E-02 ppm1      8.365 ppm2      7.571 CV     1
 OR { 4694}
   (( segid "A   " and resid 7    and name HN  ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI { 4695}
   (( segid "A   " and resid 100  and name HN  ))
   (( segid "A   " and resid 96   and name HN  ))
      4.800     2.900     1.200 peak  4695 spectrum    1 weight  0.10000E+01 volume  0.55110E-03 ppm1      7.714 ppm2      7.571 CV     1
 OR { 4695}
   (( segid "A   " and resid 74   and name HN  ))
   (  segid "B   " and resid 7    and name HE% )
 ASSI { 4698}
   (( segid "A   " and resid 106  and name HA2 ))
   (  segid "A   " and resid 107  and name HD% )
      3.600     1.600     1.600 peak  4698 spectrum    1 weight  0.10000E+01 volume  0.13748E-02 ppm1      4.337 ppm2      7.571 CV     1
 OR { 4698}
   (( segid "A   " and resid 105  and name HA  ))
   (  segid "A   " and resid 107  and name HD% )
 ASSI { 4699}
   (( segid "A   " and resid 95   and name HA  ))
   (( segid "A   " and resid 96   and name HN  ))
      3.100     1.200     1.200 peak  4699 spectrum    1 weight  0.10000E+01 volume  0.20592E-02 ppm1      3.697 ppm2      7.571 CV     1
 OR { 4699}
   (( segid "A   " and resid 106  and name HA1 ))
   (  segid "A   " and resid 107  and name HD% )
 OR { 4699}
   (( segid "A   " and resid 81   and name HD2 ))
   (  segid "B   " and resid 7    and name HE% )
 ASSI { 4700}
   (( segid "A   " and resid 108  and name HB2 ))
   (  segid "A   " and resid 107  and name HD% )
      3.400     1.500     1.500 peak  4700 spectrum    1 weight  0.10000E+01 volume  0.19604E-02 ppm1      1.851 ppm2      7.571 CV     1
 OR { 4700}
   (( segid "A   " and resid 6    and name HB2 ))
   (  segid "A   " and resid 7    and name HE% )
 OR { 4700}
   (( segid "A   " and resid 108  and name HB3 ))
   (  segid "A   " and resid 107  and name HD% )
 OR { 4700}
   (( segid "A   " and resid 87   and name HB  ))
   (( segid "A   " and resid 96   and name HN  ))
 ASSI { 4702}
   (( segid "A   " and resid 4    and name HA2 ))
   (  segid "A   " and resid 7    and name HE% )
      4.000     2.000     2.000 peak  4702 spectrum    1 weight  0.10000E+01 volume  0.10878E-02 ppm1      4.261 ppm2      7.571 CV     1
 OR { 4702}
   (( segid "A   " and resid 79   and name HA  ))
   (  segid "B   " and resid 7    and name HE% )
 ASSI { 4703}
   (( segid "A   " and resid 74   and name HB2 ))
   (  segid "B   " and resid 7    and name HE% )
      4.800     2.800     1.200 peak  4703 spectrum    1 weight  0.10000E+01 volume  0.72853E-03 ppm1      0.554 ppm2      7.571 CV     1
 OR { 4703}
   (  segid "A   " and resid 70   and name HD1%)
   (  segid "B   " and resid 7    and name HE% )
 ASSI { 4704}
   (( segid "A   " and resid 81   and name HA  ))
   (  segid "A   " and resid 107  and name HD% )
      3.000     1.100     1.100 peak  4704 spectrum    1 weight  0.10000E+01 volume  0.29124E-02 ppm1      3.549 ppm2      7.571 CV     1
 OR { 4704}
   (( segid "A   " and resid 81   and name HA  ))
   (  segid "B   " and resid 7    and name HE% )
 OR { 4704}
   (( segid "A   " and resid 99   and name HA1 ))
   (  segid "A   " and resid 107  and name HD% )
 ASSI { 4705}
   (( segid "A   " and resid 82   and name HG3 ))
   (  segid "B   " and resid 7    and name HE% )
      4.300     2.300     1.700 peak  4705 spectrum    1 weight  0.10000E+01 volume  0.65954E-03 ppm1      2.324 ppm2      7.571 CV     1
 OR { 4705}
   (( segid "A   " and resid 45   and name HB  ))
   (( segid "A   " and resid 96   and name HN  ))
 OR { 4705}
   (( segid "A   " and resid 82   and name HG3 ))
   (  segid "A   " and resid 107  and name HD% )
 OR { 4705}
   (( segid "A   " and resid 5    and name HG2 ))
   (  segid "A   " and resid 7    and name HE% )
 OR { 4705}
   (( segid "A   " and resid 104  and name HG2 ))
   (  segid "A   " and resid 107  and name HD% )
 ASSI { 4708}
   (  segid "A   " and resid 85   and name HG2%)
   (  segid "A   " and resid 107  and name HD% )
      2.800     1.000     1.000 peak  4708 spectrum    1 weight  0.10000E+01 volume  0.32717E-02 ppm1      0.788 ppm2      7.571 CV     1
 OR { 4708}
   (  segid "A   " and resid 110  and name HD1%)
   (  segid "A   " and resid 107  and name HD% )
 OR { 4708}
   (( segid "A   " and resid 102  and name HB2 ))
   (  segid "A   " and resid 107  and name HD% )
 ASSI { 4709}
   (  segid "A   " and resid 85   and name HG2%)
   (  segid "A   " and resid 107  and name HD% )
      2.800     1.000     1.000 peak  4709 spectrum    1 weight  0.10000E+01 volume  0.30015E-02 ppm1      0.757 ppm2      7.571 CV     1
 OR { 4709}
   (  segid "A   " and resid 79   and name HD1%)
   (  segid "B   " and resid 7    and name HE% )
 OR { 4709}
   (  segid "A   " and resid 110  and name HD1%)
   (  segid "A   " and resid 107  and name HD% )
 ASSI { 4710}
   (( segid "A   " and resid 102  and name HA  ))
   (  segid "A   " and resid 107  and name HD% )
      3.300     1.400     1.400 peak  4710 spectrum    1 weight  0.10000E+01 volume  0.16056E-02 ppm1      3.804 ppm2      7.571 CV     1
 OR { 4710}
   (( segid "A   " and resid 102  and name HA  ))
   (  segid "B   " and resid 7    and name HE% )
 ASSI { 4711}
   (  segid "A   " and resid 79   and name HD2%)
   (  segid "A   " and resid 107  and name HD% )
      3.800     1.800     1.800 peak  4711 spectrum    1 weight  0.10000E+01 volume  0.18136E-02 ppm1      0.900 ppm2      7.571 CV     1
 OR { 4711}
   (  segid "A   " and resid 79   and name HD2%)
   (  segid "B   " and resid 7    and name HE% )
 OR { 4711}
   (( segid "A   " and resid 81   and name HB2 ))
   (  segid "B   " and resid 7    and name HE% )
 ASSI { 4712}
   (  segid "A   " and resid 79   and name HD2%)
   (  segid "A   " and resid 107  and name HD% )
      3.900     1.900     1.900 peak  4712 spectrum    1 weight  0.10000E+01 volume  0.15884E-02 ppm1      0.869 ppm2      7.571 CV     1
 OR { 4712}
   (  segid "A   " and resid 79   and name HD2%)
   (  segid "B   " and resid 7    and name HE% )
 ASSI { 4717}
   (  segid "A   " and resid 85   and name HG1%)
   (( segid "A   " and resid 108  and name HN  ))
      4.200     2.200     1.800 peak  4717 spectrum    1 weight  0.10000E+01 volume  0.54674E-03 ppm1      1.052 ppm2      7.612 CV     1
 OR { 4717}
   (  segid "A   " and resid 109  and name HG2%)
   (( segid "A   " and resid 108  and name HN  ))
 ASSI { 4720}
   (( segid "A   " and resid 83   and name HB2 ))
   (( segid "A   " and resid 108  and name HN  ))
      4.000     2.000     2.000 peak  4720 spectrum    1 weight  0.10000E+01 volume  0.90129E-03 ppm1      1.927 ppm2      7.612 CV     1
 OR { 4720}
   (( segid "A   " and resid 82   and name HB2 ))
   (( segid "A   " and resid 108  and name HN  ))
 ASSI { 4754}
   (( segid "A   " and resid 47   and name HA  ))
   (( segid "A   " and resid 64   and name HE1 ))
      3.100     1.200     1.200 peak  4754 spectrum    1 weight  0.10000E+01 volume  0.29606E-02 ppm1      5.039 ppm2      7.988 CV     1
 OR { 4754}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 64   and name HE1 ))
 ASSI { 4152}
   (  segid "B   " and resid 110  and name HG2%)
   (( segid "B   " and resid 111  and name HA  ))
      3.800     1.800     1.800 peak  4152 spectrum    1 weight  0.10000E+01 volume  0.66672E-03 ppm1      0.783 ppm2      5.775 CV     1
 OR { 4152}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "B   " and resid 111  and name HA  ))
 OR { 4152}
   (  segid "B   " and resid 86   and name HG1%)
   (( segid "B   " and resid 111  and name HA  ))
 ASSI { 4175}
   (  segid "B   " and resid 59   and name HG2%)
   (  segid "B   " and resid 62   and name HE% )
      4.300     2.400     1.700 peak  4175 spectrum    1 weight  0.10000E+01 volume  0.57953E-03 ppm1      0.681 ppm2      6.527 CV     1
 OR { 4175}
   (  segid "B   " and resid 45   and name HG2%)
   (  segid "B   " and resid 62   and name HE% )
 ASSI { 4177}
   (( segid "B   " and resid 56   and name HB3 ))
   (  segid "B   " and resid 62   and name HE% )
      3.900     1.900     1.900 peak  4177 spectrum    1 weight  0.10000E+01 volume  0.14234E-02 ppm1      1.307 ppm2      6.527 CV     1
 OR { 4177}
   (( segid "B   " and resid 128  and name HB2 ))
   (  segid "B   " and resid 62   and name HE% )
 OR { 4177}
   (( segid "B   " and resid 51   and name HG  ))
   (  segid "B   " and resid 62   and name HE% )
 ASSI { 4206}
   (( segid "B   " and resid 121  and name HB3 ))
   (( segid "B   " and resid 120  and name HD1 ))
      4.600     2.700     1.400 peak  4206 spectrum    1 weight  0.10000E+01 volume  0.60601E-03 ppm1      2.161 ppm2      6.585 CV     1
 OR { 4206}
   (( segid "B   " and resid 126  and name HG3 ))
   (( segid "B   " and resid 120  and name HD1 ))
 ASSI { 4209}
   (( segid "B   " and resid 117  and name HA  ))
   (( segid "B   " and resid 120  and name HD1 ))
      4.700     2.800     1.300 peak  4209 spectrum    1 weight  0.10000E+01 volume  0.39987E-03 ppm1      4.322 ppm2      6.585 CV     1
 OR { 4209}
   (( segid "B   " and resid 55   and name HA2 ))
   (( segid "B   " and resid 120  and name HD1 ))
 ASSI { 4230}
   (( segid "B   " and resid 40   and name HG13))
   (  segid "B   " and resid 111  and name HE% )
      4.300     2.300     1.700 peak  4230 spectrum    1 weight  0.10000E+01 volume  0.81134E-03 ppm1      1.739 ppm2      6.697 CV     1
 OR { 4230}
   (( segid "B   " and resid 33   and name HB3 ))
   (  segid "B   " and resid 111  and name HE% )
 OR { 4230}
   (( segid "B   " and resid 34   and name HG  ))
   (  segid "B   " and resid 111  and name HE% )
 ASSI { 4232}
   (( segid "B   " and resid 120  and name HA  ))
   (  segid "B   " and resid 88   and name HE% )
      4.800     2.900     1.200 peak  4232 spectrum    1 weight  0.10000E+01 volume  0.44282E-03 ppm1      3.783 ppm2      6.697 CV     1
 OR { 4232}
   (( segid "B   " and resid 115  and name HA1 ))
   (  segid "B   " and resid 88   and name HE% )
 ASSI { 4233}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 88   and name HE% )
      4.400     2.400     1.600 peak  4233 spectrum    1 weight  0.10000E+01 volume  0.86874E-03 ppm1      0.249 ppm2      6.697 CV     1
 OR { 4233}
   (( segid "B   " and resid 57   and name HB2 ))
   (  segid "B   " and resid 88   and name HE% )
 OR { 4233}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 111  and name HE% )
 ASSI { 4235}
   (( segid "B   " and resid 40   and name HG12))
   (  segid "B   " and resid 111  and name HE% )
      3.500     1.500     1.500 peak  4235 spectrum    1 weight  0.10000E+01 volume  0.17844E-02 ppm1      0.945 ppm2      6.703 CV     1
 OR { 4235}
   (  segid "B   " and resid 25   and name HD2%)
   (  segid "B   " and resid 111  and name HE% )
 ASSI { 4239}
   (  segid "B   " and resid 33   and name HD1%)
   (  segid "B   " and resid 111  and name HE% )
      3.100     1.200     1.200 peak  4239 spectrum    1 weight  0.10000E+01 volume  0.18837E-02 ppm1      0.564 ppm2      6.703 CV     1
 OR { 4239}
   (  segid "B   " and resid 25   and name HD1%)
   (  segid "B   " and resid 111  and name HE% )
 ASSI { 4241}
   (( segid "B   " and resid 84   and name HB2 ))
   (  segid "B   " and resid 111  and name HE% )
      3.300     1.300     1.300 peak  4241 spectrum    1 weight  0.10000E+01 volume  0.80029E-03 ppm1      1.912 ppm2      6.703 CV     1
 OR { 4241}
   (( segid "B   " and resid 86   and name HB  ))
   (  segid "B   " and resid 111  and name HE% )
 ASSI { 4255}
   (( segid "B   " and resid 40   and name HB  ))
   (  segid "B   " and resid 111  and name HE% )
      4.500     2.600     1.500 peak  4255 spectrum    1 weight  0.10000E+01 volume  0.97526E-03 ppm1      1.825 ppm2      6.703 CV     1
 OR { 4255}
   (( segid "B   " and resid 25   and name HB3 ))
   (  segid "B   " and resid 111  and name HE% )
 OR { 4255}
   (( segid "B   " and resid 108  and name HB3 ))
   (  segid "B   " and resid 111  and name HE% )
 ASSI { 4257}
   (( segid "B   " and resid 25   and name HB2 ))
   (  segid "B   " and resid 111  and name HE% )
      4.300     2.300     1.700 peak  4257 spectrum    1 weight  0.10000E+01 volume  0.95040E-03 ppm1      1.632 ppm2      6.703 CV     1
 OR { 4257}
   (  segid "B   " and resid 30   and name HB% )
   (  segid "B   " and resid 111  and name HE% )
 ASSI { 4260}
   (  segid "B   " and resid 40   and name HD1%)
   (  segid "B   " and resid 111  and name HE% )
      3.000     1.200     1.200 peak  4260 spectrum    1 weight  0.10000E+01 volume  0.26570E-02 ppm1      0.783 ppm2      6.703 CV     1
 OR { 4260}
   (  segid "B   " and resid 86   and name HG1%)
   (  segid "B   " and resid 111  and name HE% )
 OR { 4260}
   (  segid "B   " and resid 85   and name HG2%)
   (  segid "B   " and resid 111  and name HE% )
 ASSI { 4262}
   (  segid "B   " and resid 23   and name HG2%)
   (  segid "B   " and resid 111  and name HE% )
      3.700     1.700     1.700 peak  4262 spectrum    1 weight  0.10000E+01 volume  0.19361E-02 ppm1      0.818 ppm2      6.703 CV     1
 OR { 4262}
   (  segid "B   " and resid 86   and name HG2%)
   (  segid "B   " and resid 111  and name HE% )
 ASSI { 4264}
   (( segid "B   " and resid 84   and name HG2 ))
   (  segid "B   " and resid 111  and name HE% )
      3.200     1.200     1.200 peak  4264 spectrum    1 weight  0.10000E+01 volume  0.24594E-02 ppm1      2.059 ppm2      6.703 CV     1
 OR { 4264}
   (( segid "B   " and resid 23   and name HB  ))
   (  segid "B   " and resid 111  and name HE% )
 ASSI { 4278}
   (( segid "B   " and resid 42   and name HG  ))
   (  segid "B   " and resid 62   and name HD% )
      3.900     1.900     1.900 peak  4278 spectrum    1 weight  0.10000E+01 volume  0.54057E-03 ppm1      1.281 ppm2      6.744 CV     1
 OR { 4278}
   (( segid "B   " and resid 63   and name HG3 ))
   (  segid "B   " and resid 62   and name HD% )
 OR { 4278}
   (( segid "B   " and resid 43   and name HG13))
   (  segid "B   " and resid 62   and name HD% )
 ASSI { 4279}
   (( segid "B   " and resid 57   and name HB3 ))
   (  segid "B   " and resid 62   and name HD% )
      4.600     2.700     1.400 peak  4279 spectrum    1 weight  0.10000E+01 volume  0.51097E-03 ppm1      0.793 ppm2      6.744 CV     1
 OR { 4279}
   (  segid "B   " and resid 41   and name HG2%)
   (  segid "B   " and resid 62   and name HD% )
 OR { 4279}
   (  segid "B   " and resid 34   and name HD2%)
   (  segid "B   " and resid 62   and name HD% )
 ASSI { 4281}
   (( segid "B   " and resid 56   and name HD3 ))
   (  segid "B   " and resid 62   and name HD% )
      3.900     1.900     1.900 peak  4281 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      1.174 ppm2      6.744 CV     1
 OR { 4281}
   (( segid "B   " and resid 57   and name HG3 ))
   (  segid "B   " and resid 62   and name HD% )
 OR { 4281}
   (( segid "B   " and resid 56   and name HB2 ))
   (  segid "B   " and resid 62   and name HD% )
 ASSI { 4289}
   (  segid "B   " and resid 34   and name HD1%)
   (  segid "B   " and resid 62   and name HD% )
      4.400     2.400     1.600 peak  4289 spectrum    1 weight  0.10000E+01 volume  0.79257E-03 ppm1      0.935 ppm2      6.744 CV     1
 OR { 4289}
   (( segid "B   " and resid 56   and name HG2 ))
   (  segid "B   " and resid 62   and name HD% )
 ASSI { 4292}
   (( segid "B   " and resid 63   and name HD2 ))
   (  segid "B   " and resid 62   and name HD% )
      4.300     2.400     1.700 peak  4292 spectrum    1 weight  0.10000E+01 volume  0.54912E-03 ppm1      1.510 ppm2      6.744 CV     1
 OR { 4292}
   (( segid "B   " and resid 42   and name HB2 ))
   (  segid "B   " and resid 62   and name HD% )
 ASSI { 4294}
   (( segid "B   " and resid 42   and name HG  ))
   (  segid "B   " and resid 62   and name HD% )
      3.700     1.700     1.700 peak  4294 spectrum    1 weight  0.10000E+01 volume  0.87204E-03 ppm1      1.312 ppm2      6.744 CV     1
 OR { 4294}
   (( segid "B   " and resid 63   and name HG3 ))
   (  segid "B   " and resid 62   and name HD% )
 OR { 4294}
   (( segid "B   " and resid 43   and name HG13))
   (  segid "B   " and resid 62   and name HD% )
 OR { 4294}
   (( segid "B   " and resid 128  and name HB2 ))
   (  segid "B   " and resid 62   and name HD% )
 ASSI { 4303}
   (  segid "B   " and resid 102  and name HD2%)
   (( segid "A   " and resid 7    and name HZ  ))
      3.600     1.600     1.600 peak  4303 spectrum    1 weight  0.10000E+01 volume  0.17728E-02 ppm1     -0.077 ppm2      6.832 CV     1
 OR { 4303}
   (  segid "B   " and resid 74   and name HD1%)
   (( segid "A   " and resid 7    and name HZ  ))
 ASSI { 4306}
   (  segid "B   " and resid 75   and name HB% )
   (( segid "A   " and resid 7    and name HZ  ))
      3.500     1.500     1.500 peak  4306 spectrum    1 weight  0.10000E+01 volume  0.22303E-02 ppm1      1.637 ppm2      6.832 CV     1
 OR { 4306}
   (( segid "B   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 7    and name HZ  ))
 ASSI { 4307}
   (( segid "B   " and resid 4    and name HA2 ))
   (( segid "B   " and resid 7    and name HZ  ))
      4.000     2.000     2.000 peak  4307 spectrum    1 weight  0.10000E+01 volume  0.79698E-03 ppm1      4.261 ppm2      6.832 CV     1
 OR { 4307}
   (( segid "B   " and resid 79   and name HA  ))
   (( segid "A   " and resid 7    and name HZ  ))
 ASSI { 4315}
   (( segid "B   " and resid 74   and name HG  ))
   (( segid "A   " and resid 7    and name HZ  ))
      4.200     2.200     1.800 peak  4315 spectrum    1 weight  0.10000E+01 volume  0.58118E-03 ppm1      1.490 ppm2      6.838 CV     1
 OR { 4315}
   (( segid "B   " and resid 42   and name HB2 ))
   (( segid "B   " and resid 120  and name HH2 ))
 ASSI { 4319}
   (( segid "B   " and resid 35   and name HG2 ))
   (  segid "B   " and resid 31   and name HE% )
      2.700     0.900     0.900 peak  4319 spectrum    1 weight  0.10000E+01 volume  0.51186E-02 ppm1      1.861 ppm2      6.849 CV     1
 OR { 4319}
   (( segid "B   " and resid 34   and name HB3 ))
   (  segid "B   " and resid 31   and name HE% )
 OR { 4319}
   (( segid "B   " and resid 35   and name HB2 ))
   (  segid "B   " and resid 31   and name HE% )
 ASSI { 4321}
   (( segid "B   " and resid 59   and name HB  ))
   (  segid "B   " and resid 31   and name HE% )
      3.500     1.600     1.600 peak  4321 spectrum    1 weight  0.10000E+01 volume  0.11833E-02 ppm1      2.446 ppm2      6.849 CV     1
 OR { 4321}
   (( segid "B   " and resid 126  and name HB3 ))
   (  segid "B   " and resid 31   and name HE% )
 ASSI { 4333}
   (( segid "B   " and resid 125  and name HA  ))
   (  segid "B   " and resid 31   and name HE% )
      4.100     2.100     1.900 peak  4333 spectrum    1 weight  0.10000E+01 volume  0.71199E-03 ppm1      3.865 ppm2      6.849 CV     1
 OR { 4333}
   (( segid "B   " and resid 35   and name HA  ))
   (  segid "B   " and resid 31   and name HE% )
 ASSI { 4338}
   (( segid "B   " and resid 59   and name HB  ))
   (  segid "B   " and resid 31   and name HE% )
      3.500     1.600     1.600 peak  4338 spectrum    1 weight  0.10000E+01 volume  0.98739E-03 ppm1      2.481 ppm2      6.849 CV     1
 OR { 4338}
   (( segid "B   " and resid 126  and name HD2 ))
   (  segid "B   " and resid 31   and name HE% )
 ASSI { 4369}
   (( segid "B   " and resid 42   and name HG  ))
   (  segid "B   " and resid 88   and name HD% )
      3.800     1.800     1.800 peak  4369 spectrum    1 weight  0.10000E+01 volume  0.14096E-02 ppm1      1.317 ppm2      6.931 CV     1
 OR { 4369}
   (( segid "B   " and resid 56   and name HB3 ))
   (  segid "B   " and resid 88   and name HD% )
 ASSI { 4374}
   (  segid "B   " and resid 34   and name HD1%)
   (  segid "B   " and resid 88   and name HD% )
      4.100     2.100     1.900 peak  4374 spectrum    1 weight  0.10000E+01 volume  0.76717E-03 ppm1      0.945 ppm2      6.931 CV     1
 OR { 4374}
   (( segid "B   " and resid 56   and name HG2 ))
   (  segid "B   " and resid 88   and name HD% )
 ASSI { 4378}
   (( segid "B   " and resid 27   and name HD3 ))
   (  segid "B   " and resid 88   and name HD% )
      4.000     2.000     2.000 peak  4378 spectrum    1 weight  0.10000E+01 volume  0.36229E-03 ppm1      4.017 ppm2      6.931 CV     1
 OR { 4378}
   (( segid "B   " and resid 57   and name HA  ))
   (  segid "B   " and resid 88   and name HD% )
 ASSI { 4382}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 88   and name HD% )
      3.400     1.400     1.400 peak  4382 spectrum    1 weight  0.10000E+01 volume  0.27843E-02 ppm1      0.259 ppm2      6.931 CV     1
 OR { 4382}
   (( segid "B   " and resid 57   and name HB2 ))
   (  segid "B   " and resid 88   and name HD% )
 ASSI { 4417}
   (  segid "B   " and resid 13   and name HB% )
   (  segid "A   " and resid 105  and name HE% )
      3.400     1.400     1.400 peak  4417 spectrum    1 weight  0.10000E+01 volume  0.21895E-02 ppm1      1.525 ppm2      6.967 CV     1
 OR { 4417}
   (( segid "B   " and resid 74   and name HG  ))
   (  segid "B   " and resid 105  and name HE% )
 ASSI { 4419}
   (( segid "B   " and resid 104  and name HG3 ))
   (  segid "B   " and resid 105  and name HE% )
      5.000     3.100     1.000 peak  4419 spectrum    1 weight  0.10000E+01 volume  0.44569E-03 ppm1      2.568 ppm2      6.972 CV     1
 OR { 4419}
   (( segid "B   " and resid 29   and name HB2 ))
   (  segid "B   " and resid 111  and name HD% )
 ASSI { 4426}
   (( segid "B   " and resid 85   and name HN  ))
   (  segid "B   " and resid 111  and name HD% )
      3.700     1.700     1.700 peak  4426 spectrum    1 weight  0.10000E+01 volume  0.60547E-03 ppm1      7.791 ppm2      6.972 CV     1
 OR { 4426}
   (( segid "B   " and resid 101  and name HN  ))
   (  segid "B   " and resid 105  and name HE% )
 ASSI { 4434}
   (( segid "B   " and resid 34   and name HG  ))
   (  segid "B   " and resid 111  and name HD% )
      3.800     1.800     1.800 peak  4434 spectrum    1 weight  0.10000E+01 volume  0.14234E-02 ppm1      1.754 ppm2      6.972 CV     1
 OR { 4434}
   (( segid "B   " and resid 33   and name HB3 ))
   (  segid "B   " and resid 111  and name HD% )
 OR { 4434}
   (( segid "B   " and resid 103  and name HG2 ))
   (  segid "B   " and resid 105  and name HE% )
 ASSI { 4436}
   (( segid "B   " and resid 104  and name HA  ))
   (  segid "B   " and resid 105  and name HE% )
      4.700     2.700     1.300 peak  4436 spectrum    1 weight  0.10000E+01 volume  0.40754E-03 ppm1      4.129 ppm2      6.972 CV     1
 OR { 4436}
   (( segid "B   " and resid 13   and name HA  ))
   (  segid "A   " and resid 105  and name HE% )
 OR { 4436}
   (( segid "B   " and resid 9    and name HA  ))
   (  segid "A   " and resid 105  and name HE% )
 OR { 4436}
   (( segid "B   " and resid 84   and name HD3 ))
   (  segid "B   " and resid 111  and name HD% )
 ASSI { 4438}
   (( segid "B   " and resid 110  and name HG12))
   (  segid "B   " and resid 111  and name HD% )
      5.100     3.200     0.900 peak  4438 spectrum    1 weight  0.10000E+01 volume  0.55031E-03 ppm1      1.312 ppm2      6.972 CV     1
 OR { 4438}
   (( segid "B   " and resid 42   and name HG  ))
   (  segid "B   " and resid 111  and name HD% )
 ASSI { 4442}
   (( segid "B   " and resid 25   and name HA  ))
   (  segid "B   " and resid 111  and name HD% )
      4.400     2.500     1.600 peak  4442 spectrum    1 weight  0.10000E+01 volume  0.82070E-03 ppm1      5.065 ppm2      6.978 CV     1
 OR { 4442}
   (( segid "B   " and resid 42   and name HA  ))
   (  segid "B   " and resid 111  and name HD% )
 ASSI { 4460}
   (  segid "B   " and resid 86   and name HG1%)
   (  segid "B   " and resid 111  and name HD% )
      3.000     1.100     1.100 peak  4460 spectrum    1 weight  0.10000E+01 volume  0.40529E-02 ppm1      0.778 ppm2      6.978 CV     1
 OR { 4460}
   (  segid "B   " and resid 85   and name HG2%)
   (  segid "B   " and resid 111  and name HD% )
 OR { 4460}
   (  segid "B   " and resid 87   and name HG2%)
   (  segid "B   " and resid 111  and name HD% )
 ASSI { 4467}
   (( segid "B   " and resid 44   and name HB2 ))
   (( segid "B   " and resid 64   and name HD2 ))
      4.400     2.400     1.600 peak  4467 spectrum    1 weight  0.10000E+01 volume  0.62532E-03 ppm1      2.308 ppm2      7.019 CV     1
 OR { 4467}
   (( segid "B   " and resid 45   and name HB  ))
   (( segid "B   " and resid 64   and name HD2 ))
 ASSI { 4475}
   (( segid "B   " and resid 65   and name HA  ))
   (( segid "B   " and resid 64   and name HD2 ))
      3.800     1.800     1.800 peak  4475 spectrum    1 weight  0.10000E+01 volume  0.77324E-03 ppm1      3.793 ppm2      7.019 CV     1
 OR { 4475}
   (( segid "B   " and resid 66   and name HA  ))
   (( segid "B   " and resid 64   and name HD2 ))
 ASSI { 4480}
   (( segid "B   " and resid 64   and name HB2 ))
   (( segid "B   " and resid 64   and name HD2 ))
      2.700     0.900     0.900 peak  4480 spectrum    1 weight  0.10000E+01 volume  0.23644E-02 ppm1      2.934 ppm2      7.019 CV     1
 OR { 4480}
   (( segid "B   " and resid 44   and name HB3 ))
   (( segid "B   " and resid 64   and name HD2 ))
 ASSI { 4505}
   (( segid "B   " and resid 102  and name HB2 ))
   (( segid "A   " and resid 11   and name HZ  ))
      3.700     1.700     1.700 peak  4505 spectrum    1 weight  0.10000E+01 volume  0.17982E-02 ppm1      0.778 ppm2      7.025 CV     1
 OR { 4505}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 11   and name HZ  ))
 OR { 4505}
   (  segid "B   " and resid 87   and name HG2%)
   (( segid "A   " and resid 11   and name HZ  ))
 ASSI { 4512}
   (( segid "B   " and resid 97   and name HB3 ))
   (( segid "A   " and resid 11   and name HZ  ))
      3.100     1.200     1.200 peak  4512 spectrum    1 weight  0.10000E+01 volume  0.13125E-02 ppm1      1.952 ppm2      7.025 CV     1
 OR { 4512}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 11   and name HZ  ))
 ASSI { 4513}
   (  segid "B   " and resid 87   and name HG1%)
   (( segid "A   " and resid 11   and name HZ  ))
      4.300     2.400     1.700 peak  4513 spectrum    1 weight  0.10000E+01 volume  0.10509E-02 ppm1      0.859 ppm2      7.025 CV     1
 OR { 4513}
   (  segid "B   " and resid 45   and name HG1%)
   (( segid "A   " and resid 11   and name HZ  ))
 ASSI { 4515}
   (  segid "B   " and resid 97   and name HD2%)
   (( segid "A   " and resid 11   and name HZ  ))
      4.000     2.000     2.000 peak  4515 spectrum    1 weight  0.10000E+01 volume  0.96199E-03 ppm1      0.722 ppm2      7.025 CV     1
 OR { 4515}
   (  segid "B   " and resid 79   and name HD1%)
   (( segid "A   " and resid 11   and name HZ  ))
 ASSI { 4528}
   (( segid "B   " and resid 57   and name HA  ))
   (( segid "B   " and resid 120  and name HZ2 ))
      3.800     1.800     1.800 peak  4528 spectrum    1 weight  0.10000E+01 volume  0.80581E-03 ppm1      4.017 ppm2      7.031 CV     1
 OR { 4528}
   (( segid "B   " and resid 27   and name HD3 ))
   (( segid "B   " and resid 120  and name HZ3 ))
 ASSI { 4533}
   (  segid "B   " and resid 25   and name HD1%)
   (( segid "B   " and resid 120  and name HZ3 ))
      4.400     2.400     1.600 peak  4533 spectrum    1 weight  0.10000E+01 volume  0.67887E-03 ppm1      0.579 ppm2      7.031 CV     1
 OR { 4533}
   (  segid "B   " and resid 33   and name HD1%)
   (( segid "B   " and resid 120  and name HZ3 ))
 ASSI { 4534}
   (( segid "B   " and resid 125  and name HA  ))
   (( segid "B   " and resid 120  and name HZ2 ))
      4.100     2.100     1.900 peak  4534 spectrum    1 weight  0.10000E+01 volume  0.99402E-03 ppm1      3.859 ppm2      7.031 CV     1
 OR { 4534}
   (( segid "B   " and resid 125  and name HA  ))
   (( segid "B   " and resid 120  and name HZ3 ))
 OR { 4534}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 120  and name HZ2 ))
 OR { 4534}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 120  and name HZ3 ))
 ASSI { 4535}
   (( segid "B   " and resid 79   and name HA  ))
   (  segid "B   " and resid 107  and name HE% )
      4.200     2.200     1.800 peak  4535 spectrum    1 weight  0.10000E+01 volume  0.87039E-03 ppm1      4.261 ppm2      7.084 CV     1
 OR { 4535}
   (( segid "B   " and resid 4    and name HA2 ))
   (  segid "A   " and resid 107  and name HE% )
 ASSI { 4538}
   (( segid "B   " and resid 81   and name HA  ))
   (  segid "B   " and resid 107  and name HE% )
      3.500     1.600     1.600 peak  4538 spectrum    1 weight  0.10000E+01 volume  0.12943E-02 ppm1      3.549 ppm2      7.084 CV     1
 OR { 4538}
   (( segid "B   " and resid 99   and name HA1 ))
   (  segid "B   " and resid 107  and name HE% )
 ASSI { 4544}
   (( segid "B   " and resid 105  and name HB3 ))
   (  segid "B   " and resid 107  and name HE% )
      4.300     2.300     1.700 peak  4544 spectrum    1 weight  0.10000E+01 volume  0.87204E-03 ppm1      3.493 ppm2      7.084 CV     1
 OR { 4544}
   (( segid "B   " and resid 74   and name HA  ))
   (  segid "B   " and resid 107  and name HE% )
 ASSI { 4546}
   (  segid "B   " and resid 70   and name HD1%)
   (  segid "B   " and resid 107  and name HE% )
      5.000     3.100     1.000 peak  4546 spectrum    1 weight  0.10000E+01 volume  0.54287E-03 ppm1      0.549 ppm2      7.084 CV     1
 OR { 4546}
   (( segid "B   " and resid 74   and name HB2 ))
   (  segid "B   " and resid 107  and name HE% )
 ASSI { 4547}
   (  segid "B   " and resid 102  and name HD1%)
   (  segid "B   " and resid 107  and name HE% )
      3.100     1.200     1.200 peak  4547 spectrum    1 weight  0.10000E+01 volume  0.27976E-02 ppm1      0.157 ppm2      7.084 CV     1
 OR { 4547}
   (  segid "B   " and resid 74   and name HD2%)
   (  segid "B   " and resid 107  and name HE% )
 ASSI { 4550}
   (( segid "B   " and resid 34   and name HB2 ))
   (  segid "B   " and resid 31   and name HD% )
      3.000     1.100     1.100 peak  4550 spectrum    1 weight  0.10000E+01 volume  0.26592E-02 ppm1      1.622 ppm2      7.090 CV     1
 OR { 4550}
   (  segid "B   " and resid 30   and name HB% )
   (  segid "B   " and resid 31   and name HD% )
 ASSI { 4553}
   (( segid "B   " and resid 34   and name HB3 ))
   (  segid "B   " and resid 31   and name HD% )
      3.300     1.400     1.400 peak  4553 spectrum    1 weight  0.10000E+01 volume  0.14593E-02 ppm1      1.886 ppm2      7.090 CV     1
 OR { 4553}
   (( segid "B   " and resid 35   and name HG2 ))
   (  segid "B   " and resid 31   and name HD% )
 ASSI { 4555}
   (( segid "B   " and resid 126  and name HG2 ))
   (  segid "B   " and resid 31   and name HD% )
      3.800     1.800     1.800 peak  4555 spectrum    1 weight  0.10000E+01 volume  0.79918E-03 ppm1      1.952 ppm2      7.090 CV     1
 OR { 4555}
   (( segid "B   " and resid 35   and name HG3 ))
   (  segid "B   " and resid 31   and name HD% )
 ASSI { 4558}
   (( segid "B   " and resid 34   and name HB3 ))
   (  segid "B   " and resid 31   and name HD% )
      3.300     1.400     1.400 peak  4558 spectrum    1 weight  0.10000E+01 volume  0.15901E-02 ppm1      1.861 ppm2      7.090 CV     1
 OR { 4558}
   (( segid "B   " and resid 35   and name HG2 ))
   (  segid "B   " and resid 31   and name HD% )
 OR { 4558}
   (( segid "B   " and resid 32   and name HB2 ))
   (  segid "B   " and resid 31   and name HD% )
 ASSI { 4567}
   (( segid "B   " and resid 57   and name HB2 ))
   (  segid "B   " and resid 31   and name HD% )
      4.700     2.800     1.300 peak  4567 spectrum    1 weight  0.10000E+01 volume  0.54988E-03 ppm1      0.254 ppm2      7.090 CV     1
 OR { 4567}
   (  segid "B   " and resid 42   and name HD1%)
   (  segid "B   " and resid 31   and name HD% )
 ASSI { 4574}
   (( segid "B   " and resid 42   and name HB3 ))
   (  segid "B   " and resid 31   and name HD% )
      3.800     1.800     1.800 peak  4574 spectrum    1 weight  0.10000E+01 volume  0.13953E-02 ppm1      1.693 ppm2      7.090 CV     1
 OR { 4574}
   (( segid "B   " and resid 28   and name HB3 ))
   (  segid "B   " and resid 31   and name HD% )
 OR { 4574}
   (( segid "B   " and resid 28   and name HB2 ))
   (  segid "B   " and resid 31   and name HD% )
 ASSI { 4590}
   (( segid "B   " and resid 70   and name HB3 ))
   (  segid "A   " and resid 11   and name HE% )
      3.300     1.400     1.400 peak  4590 spectrum    1 weight  0.10000E+01 volume  0.50396E-02 ppm1      1.678 ppm2      7.172 CV     1
 OR { 4590}
   (( segid "B   " and resid 74   and name HB3 ))
   (  segid "A   " and resid 11   and name HE% )
 ASSI { 4592}
   (  segid "B   " and resid 79   and name HD1%)
   (  segid "A   " and resid 11   and name HE% )
      4.100     2.100     1.900 peak  4592 spectrum    1 weight  0.10000E+01 volume  0.13947E-02 ppm1      0.722 ppm2      7.172 CV     1
 OR { 4592}
   (  segid "B   " and resid 97   and name HD2%)
   (  segid "A   " and resid 11   and name HE% )
 ASSI { 4593}
   (( segid "B   " and resid 70   and name HG  ))
   (  segid "A   " and resid 11   and name HE% )
      2.600     0.900     0.900 peak  4593 spectrum    1 weight  0.10000E+01 volume  0.40339E-02 ppm1      1.012 ppm2      7.172 CV     1
 OR { 4593}
   (  segid "B   " and resid 97   and name HD1%)
   (  segid "A   " and resid 11   and name HE% )
 ASSI { 4595}
   (  segid "B   " and resid 10   and name HG2%)
   (  segid "B   " and resid 11   and name HD% )
      5.200     3.300     0.800 peak  4595 spectrum    1 weight  0.10000E+01 volume  0.48519E-03 ppm1      0.493 ppm2      7.371 CV     1
 OR { 4595}
   (  segid "B   " and resid 43   and name HD1%)
   (  segid "A   " and resid 11   and name HD% )
 ASSI { 4598}
   (( segid "B   " and resid 102  and name HB3 ))
   (  segid "A   " and resid 11   and name HD% )
      4.600     2.600     1.400 peak  4598 spectrum    1 weight  0.10000E+01 volume  0.67389E-03 ppm1      1.815 ppm2      7.371 CV     1
 OR { 4598}
   (( segid "B   " and resid 12   and name HB3 ))
   (  segid "B   " and resid 11   and name HD% )
 ASSI { 4605}
   (( segid "B   " and resid 74   and name HB3 ))
   (  segid "A   " and resid 11   and name HD% )
      3.800     1.800     1.800 peak  4605 spectrum    1 weight  0.10000E+01 volume  0.16629E-02 ppm1      1.668 ppm2      7.371 CV     1
 OR { 4605}
   (( segid "B   " and resid 70   and name HB3 ))
   (  segid "A   " and resid 11   and name HD% )
 OR { 4605}
   (  segid "B   " and resid 75   and name HB% )
   (  segid "A   " and resid 11   and name HD% )
 ASSI { 4607}
   (( segid "B   " and resid 12   and name HA  ))
   (  segid "B   " and resid 11   and name HD% )
      3.100     1.200     1.200 peak  4607 spectrum    1 weight  0.10000E+01 volume  0.18484E-02 ppm1      3.422 ppm2      7.371 CV     1
 OR { 4607}
   (( segid "B   " and resid 7    and name HB3 ))
   (  segid "B   " and resid 11   and name HD% )
 ASSI { 4616}
   (( segid "B   " and resid 8    and name HB2 ))
   (  segid "B   " and resid 11   and name HD% )
      5.800     4.200     0.200 peak  4616 spectrum    1 weight  0.10000E+01 volume  0.26106E-03 ppm1      2.878 ppm2      7.371 CV     1
 OR { 4616}
   (( segid "B   " and resid 14   and name HG3 ))
   (  segid "B   " and resid 11   and name HD% )
 ASSI { 4629}
   (( segid "B   " and resid 119  and name HA  ))
   (( segid "B   " and resid 119  and name HN  ))
      2.500     0.800     0.800 peak  4629 spectrum    1 weight  0.10000E+01 volume  0.42305E-02 ppm1      4.307 ppm2      7.436 CV     1
 OR { 4629}
   (( segid "B   " and resid 10   and name HB  ))
   (  segid "A   " and resid 105  and name HD% )
 ASSI { 4632}
   (  segid "B   " and resid 74   and name HD2%)
   (  segid "B   " and resid 105  and name HD% )
      4.200     2.200     1.800 peak  4632 spectrum    1 weight  0.10000E+01 volume  0.54403E-03 ppm1      0.157 ppm2      7.436 CV     1
 OR { 4632}
   (  segid "B   " and resid 102  and name HD1%)
   (  segid "B   " and resid 105  and name HD% )
 ASSI { 4638}
   (( segid "B   " and resid 115  and name HA2 ))
   (( segid "B   " and resid 119  and name HN  ))
      3.700     1.700     1.700 peak  4638 spectrum    1 weight  0.10000E+01 volume  0.13936E-02 ppm1      4.078 ppm2      7.436 CV     1
 OR { 4638}
   (( segid "B   " and resid 101  and name HA  ))
   (  segid "B   " and resid 105  and name HD% )
 ASSI { 4643}
   (( segid "B   " and resid 102  and name HG  ))
   (  segid "A   " and resid 7    and name HD% )
      4.200     2.200     1.800 peak  4643 spectrum    1 weight  0.10000E+01 volume  0.96974E-03 ppm1      1.596 ppm2      7.454 CV     1
 OR { 4643}
   (( segid "B   " and resid 6    and name HD3 ))
   (  segid "B   " and resid 7    and name HD% )
 OR { 4643}
   (  segid "B   " and resid 9    and name HB% )
   (  segid "B   " and resid 7    and name HD% )
 ASSI { 4652}
   (( segid "B   " and resid 6    and name HG2 ))
   (  segid "B   " and resid 7    and name HD% )
      4.200     2.300     1.800 peak  4652 spectrum    1 weight  0.10000E+01 volume  0.83562E-03 ppm1      1.383 ppm2      7.454 CV     1
 OR { 4652}
   (( segid "B   " and resid 79   and name HG  ))
   (  segid "A   " and resid 7    and name HD% )
 ASSI { 4653}
   (( segid "B   " and resid 3    and name HB3 ))
   (  segid "B   " and resid 7    and name HD% )
      3.100     1.200     1.200 peak  4653 spectrum    1 weight  0.10000E+01 volume  0.33800E-02 ppm1      1.663 ppm2      7.454 CV     1
 OR { 4653}
   (( segid "B   " and resid 74   and name HB3 ))
   (  segid "A   " and resid 7    and name HD% )
 OR { 4653}
   (  segid "B   " and resid 75   and name HB% )
   (  segid "A   " and resid 7    and name HD% )
 ASSI { 4660}
   (( segid "B   " and resid 4    and name HA2 ))
   (  segid "B   " and resid 7    and name HD% )
      3.400     1.500     1.500 peak  4660 spectrum    1 weight  0.10000E+01 volume  0.31924E-02 ppm1      4.226 ppm2      7.459 CV     1
 OR { 4660}
   (( segid "B   " and resid 6    and name HA  ))
   (  segid "B   " and resid 7    and name HD% )
 ASSI { 4663}
   (( segid "B   " and resid 74   and name HB2 ))
   (  segid "A   " and resid 7    and name HD% )
      4.200     2.200     1.800 peak  4663 spectrum    1 weight  0.10000E+01 volume  0.16298E-02 ppm1      0.554 ppm2      7.459 CV     1
 OR { 4663}
   (  segid "B   " and resid 70   and name HD1%)
   (  segid "A   " and resid 7    and name HD% )
 ASSI { 4680}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "A   " and resid 7    and name HE% )
      3.000     1.100     1.100 peak  4680 spectrum    1 weight  0.10000E+01 volume  0.32154E-02 ppm1     -0.092 ppm2      7.571 CV     1
 OR { 4680}
   (  segid "B   " and resid 74   and name HD1%)
   (  segid "A   " and resid 7    and name HE% )
 OR { 4680}
   (  segid "B   " and resid 102  and name HD2%)
   (  segid "B   " and resid 107  and name HD% )
 ASSI { 4682}
   (( segid "B   " and resid 97   and name HB3 ))
   (( segid "B   " and resid 96   and name HN  ))
      4.100     2.200     1.900 peak  4682 spectrum    1 weight  0.10000E+01 volume  0.11712E-02 ppm1      1.927 ppm2      7.571 CV     1
 OR { 4682}
   (( segid "B   " and resid 83   and name HB2 ))
   (  segid "B   " and resid 107  and name HD% )
 OR { 4682}
   (  segid "B   " and resid 3    and name HE% )
   (  segid "B   " and resid 7    and name HE% )
 OR { 4682}
   (( segid "B   " and resid 100  and name HB2 ))
   (( segid "B   " and resid 96   and name HN  ))
 ASSI { 4683}
   (( segid "B   " and resid 103  and name HG3 ))
   (  segid "B   " and resid 107  and name HD% )
      3.900     1.900     1.900 peak  4683 spectrum    1 weight  0.10000E+01 volume  0.14063E-02 ppm1      1.902 ppm2      7.571 CV     1
 OR { 4683}
   (( segid "B   " and resid 84   and name HB2 ))
   (  segid "B   " and resid 107  and name HD% )
 OR { 4683}
   (( segid "B   " and resid 83   and name HB2 ))
   (  segid "B   " and resid 107  and name HD% )
 OR { 4683}
   (  segid "B   " and resid 3    and name HE% )
   (  segid "B   " and resid 7    and name HE% )
 OR { 4683}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 96   and name HN  ))
 ASSI { 4685}
   (( segid "B   " and resid 85   and name HB  ))
   (  segid "B   " and resid 107  and name HD% )
      4.700     2.800     1.300 peak  4685 spectrum    1 weight  0.10000E+01 volume  0.72742E-03 ppm1      1.963 ppm2      7.571 CV     1
 OR { 4685}
   (( segid "B   " and resid 97   and name HB3 ))
   (( segid "B   " and resid 96   and name HN  ))
 ASSI { 4686}
   (( segid "B   " and resid 3    and name HB3 ))
   (  segid "B   " and resid 7    and name HE% )
      2.800     1.000     1.000 peak  4686 spectrum    1 weight  0.10000E+01 volume  0.52543E-02 ppm1      1.688 ppm2      7.571 CV     1
 OR { 4686}
   (( segid "B   " and resid 74   and name HB3 ))
   (  segid "A   " and resid 7    and name HE% )
 OR { 4686}
   (( segid "B   " and resid 97   and name HB2 ))
   (( segid "B   " and resid 96   and name HN  ))
 OR { 4686}
   (( segid "B   " and resid 3    and name HB2 ))
   (  segid "B   " and resid 7    and name HE% )
 ASSI { 4693}
   (( segid "B   " and resid 105  and name HB3 ))
   (  segid "B   " and resid 107  and name HD% )
      3.800     1.800     1.800 peak  4693 spectrum    1 weight  0.10000E+01 volume  0.24814E-02 ppm1      3.493 ppm2      7.571 CV     1
 OR { 4693}
   (( segid "B   " and resid 74   and name HA  ))
   (  segid "A   " and resid 7    and name HE% )
 OR { 4693}
   (( segid "B   " and resid 112  and name HB3 ))
   (( segid "B   " and resid 96   and name HN  ))
 ASSI { 4694}
   (( segid "B   " and resid 107  and name HN  ))
   (  segid "B   " and resid 107  and name HD% )
      3.600     1.600     1.600 peak  4694 spectrum    1 weight  0.10000E+01 volume  0.11955E-02 ppm1      8.365 ppm2      7.571 CV     1
 OR { 4694}
   (( segid "B   " and resid 7    and name HN  ))
   (  segid "B   " and resid 7    and name HE% )
 ASSI { 4695}
   (( segid "B   " and resid 100  and name HN  ))
   (( segid "B   " and resid 96   and name HN  ))
      4.800     2.900     1.200 peak  4695 spectrum    1 weight  0.10000E+01 volume  0.55110E-03 ppm1      7.714 ppm2      7.571 CV     1
 OR { 4695}
   (( segid "B   " and resid 74   and name HN  ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI { 4698}
   (( segid "B   " and resid 106  and name HA2 ))
   (  segid "B   " and resid 107  and name HD% )
      3.600     1.600     1.600 peak  4698 spectrum    1 weight  0.10000E+01 volume  0.13748E-02 ppm1      4.337 ppm2      7.571 CV     1
 OR { 4698}
   (( segid "B   " and resid 105  and name HA  ))
   (  segid "B   " and resid 107  and name HD% )
 ASSI { 4699}
   (( segid "B   " and resid 95   and name HA  ))
   (( segid "B   " and resid 96   and name HN  ))
      3.100     1.200     1.200 peak  4699 spectrum    1 weight  0.10000E+01 volume  0.20592E-02 ppm1      3.697 ppm2      7.571 CV     1
 OR { 4699}
   (( segid "B   " and resid 106  and name HA1 ))
   (  segid "B   " and resid 107  and name HD% )
 OR { 4699}
   (( segid "B   " and resid 81   and name HD2 ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI { 4700}
   (( segid "B   " and resid 108  and name HB2 ))
   (  segid "B   " and resid 107  and name HD% )
      3.400     1.500     1.500 peak  4700 spectrum    1 weight  0.10000E+01 volume  0.19604E-02 ppm1      1.851 ppm2      7.571 CV     1
 OR { 4700}
   (( segid "B   " and resid 6    and name HB2 ))
   (  segid "B   " and resid 7    and name HE% )
 OR { 4700}
   (( segid "B   " and resid 108  and name HB3 ))
   (  segid "B   " and resid 107  and name HD% )
 OR { 4700}
   (( segid "B   " and resid 87   and name HB  ))
   (( segid "B   " and resid 96   and name HN  ))
 ASSI { 4702}
   (( segid "B   " and resid 4    and name HA2 ))
   (  segid "B   " and resid 7    and name HE% )
      4.000     2.000     2.000 peak  4702 spectrum    1 weight  0.10000E+01 volume  0.10878E-02 ppm1      4.261 ppm2      7.571 CV     1
 OR { 4702}
   (( segid "B   " and resid 79   and name HA  ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI { 4703}
   (( segid "B   " and resid 74   and name HB2 ))
   (  segid "A   " and resid 7    and name HE% )
      4.800     2.900     1.200 peak  4703 spectrum    1 weight  0.10000E+01 volume  0.72853E-03 ppm1      0.554 ppm2      7.571 CV     1
 OR { 4703}
   (  segid "B   " and resid 70   and name HD1%)
   (  segid "A   " and resid 7    and name HE% )
 ASSI { 4704}
   (( segid "B   " and resid 81   and name HA  ))
   (  segid "B   " and resid 107  and name HD% )
      3.000     1.100     1.100 peak  4704 spectrum    1 weight  0.10000E+01 volume  0.29124E-02 ppm1      3.549 ppm2      7.571 CV     1
 OR { 4704}
   (( segid "B   " and resid 81   and name HA  ))
   (  segid "A   " and resid 7    and name HE% )
 OR { 4704}
   (( segid "B   " and resid 99   and name HA1 ))
   (  segid "B   " and resid 107  and name HD% )
 ASSI { 4705}
   (( segid "B   " and resid 82   and name HG3 ))
   (  segid "A   " and resid 7    and name HE% )
      4.200     2.300     1.800 peak  4705 spectrum    1 weight  0.10000E+01 volume  0.65954E-03 ppm1      2.324 ppm2      7.571 CV     1
 OR { 4705}
   (( segid "B   " and resid 45   and name HB  ))
   (( segid "B   " and resid 96   and name HN  ))
 OR { 4705}
   (( segid "B   " and resid 5    and name HG2 ))
   (  segid "B   " and resid 7    and name HE% )
 OR { 4705}
   (( segid "B   " and resid 104  and name HG2 ))
   (  segid "B   " and resid 107  and name HD% )
 ASSI { 4708}
   (  segid "B   " and resid 85   and name HG2%)
   (  segid "B   " and resid 107  and name HD% )
      2.800     1.000     1.000 peak  4708 spectrum    1 weight  0.10000E+01 volume  0.32717E-02 ppm1      0.788 ppm2      7.571 CV     1
 OR { 4708}
   (  segid "B   " and resid 110  and name HD1%)
   (  segid "B   " and resid 107  and name HD% )
 OR { 4708}
   (( segid "B   " and resid 102  and name HB2 ))
   (  segid "B   " and resid 107  and name HD% )
 ASSI { 4709}
   (  segid "B   " and resid 85   and name HG2%)
   (  segid "B   " and resid 107  and name HD% )
      2.800     1.000     1.000 peak  4709 spectrum    1 weight  0.10000E+01 volume  0.30015E-02 ppm1      0.757 ppm2      7.571 CV     1
 OR { 4709}
   (  segid "B   " and resid 79   and name HD1%)
   (  segid "A   " and resid 7    and name HE% )
 OR { 4709}
   (  segid "B   " and resid 110  and name HD1%)
   (  segid "B   " and resid 107  and name HD% )
 ASSI { 4710}
   (( segid "B   " and resid 102  and name HA  ))
   (  segid "B   " and resid 107  and name HD% )
      3.300     1.400     1.400 peak  4710 spectrum    1 weight  0.10000E+01 volume  0.16056E-02 ppm1      3.804 ppm2      7.571 CV     1
 OR { 4710}
   (( segid "B   " and resid 102  and name HA  ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI { 4711}
   (  segid "B   " and resid 79   and name HD2%)
   (  segid "B   " and resid 107  and name HD% )
      3.800     1.800     1.800 peak  4711 spectrum    1 weight  0.10000E+01 volume  0.18136E-02 ppm1      0.900 ppm2      7.571 CV     1
 OR { 4711}
   (  segid "B   " and resid 79   and name HD2%)
   (  segid "A   " and resid 7    and name HE% )
 OR { 4711}
   (( segid "B   " and resid 81   and name HB2 ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI { 4712}
   (  segid "B   " and resid 79   and name HD2%)
   (  segid "B   " and resid 107  and name HD% )
      3.900     1.900     1.900 peak  4712 spectrum    1 weight  0.10000E+01 volume  0.15884E-02 ppm1      0.869 ppm2      7.571 CV     1
 OR { 4712}
   (  segid "B   " and resid 79   and name HD2%)
   (  segid "A   " and resid 7    and name HE% )
 ASSI { 4717}
   (  segid "B   " and resid 85   and name HG1%)
   (( segid "B   " and resid 108  and name HN  ))
      4.200     2.200     1.800 peak  4717 spectrum    1 weight  0.10000E+01 volume  0.54674E-03 ppm1      1.052 ppm2      7.612 CV     1
 OR { 4717}
   (  segid "B   " and resid 109  and name HG2%)
   (( segid "B   " and resid 108  and name HN  ))
 ASSI { 4720}
   (( segid "B   " and resid 83   and name HB2 ))
   (( segid "B   " and resid 108  and name HN  ))
      3.900     2.000     2.000 peak  4720 spectrum    1 weight  0.10000E+01 volume  0.90129E-03 ppm1      1.927 ppm2      7.612 CV     1
 OR { 4720}
   (( segid "B   " and resid 82   and name HB2 ))
   (( segid "B   " and resid 108  and name HN  ))
 ASSI { 4754}
   (( segid "B   " and resid 47   and name HA  ))
   (( segid "B   " and resid 64   and name HE1 ))
      3.100     1.200     1.200 peak  4754 spectrum    1 weight  0.10000E+01 volume  0.29606E-02 ppm1      5.039 ppm2      7.988 CV     1
 OR { 4754}
   (( segid "B   " and resid 64   and name HA  ))
   (( segid "B   " and resid 64   and name HE1 ))

! distance restraints from 15N/15N separated-NOESY
assign ( segid A and residue    6 and name HN  )  ( segid A and residue    7 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue    6 and name HN  )  ( segid A and residue    8 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue    8 and name HN  )  ( segid A and residue   10 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue    9 and name HN  )  ( segid A and residue   10 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue    9 and name HN  )  ( segid A and residue   11 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue    9 and name HN  )  ( segid A and residue   12 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   10 and name HN  )  ( segid A and residue   11 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   10 and name HN  )  ( segid A and residue   12 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   10 and name HN  )  ( segid A and residue   13 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   11 and name HN  )  ( segid A and residue   12 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   11 and name HN  )  ( segid A and residue   13 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   11 and name HN  )  ( segid A and residue   14 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   11 and name HN  )  ( segid A and residue   15 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   11 and name HN  )  ( segid A and residue    8 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   12 and name HN  )  ( segid A and residue   13 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   12 and name HN  )  ( segid A and residue   14 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   12 and name HN  )  ( segid A and residue   15 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   12 and name HN  )  ( segid A and residue   16 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   13 and name HN  )  ( segid A and residue   14 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   13 and name HN  )  ( segid A and residue   15 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   13 and name HN  )  ( segid A and residue   16 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   14 and name HN  )  ( segid A and residue   15 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   14 and name HN  )  ( segid A and residue   16 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   14 and name HN  )  ( segid A and residue   17 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   15 and name HN  )  ( segid A and residue   16 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   15 and name HN  )  ( segid A and residue   17 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   18 and name HN  )  ( segid A and residue   19 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   18 and name HN  )  ( segid A and residue   20 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   18 and name HN  )  ( segid A and residue   21 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   19 and name HN  )  ( segid A and residue   16 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   19 and name HN  )  ( segid A and residue   17 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   19 and name HN  )  ( segid A and residue   20 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   19 and name HN  )  ( segid A and residue   21 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   19 and name HN  )  ( segid A and residue   22 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   20 and name HN  )  ( segid A and residue   17 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   20 and name HN  )  ( segid A and residue   21 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   20 and name HN  )  ( segid A and residue   22 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   21 and name HN  )  ( segid A and residue   22 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   23 and name HN  )  ( segid A and residue  110 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   23 and name HN  )  ( segid A and residue  112 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   23 and name HN  )  ( segid A and residue   24 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   24 and name HN  )  ( segid A and residue  112 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   24 and name HN  )  ( segid A and residue   25 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   25 and name HN  )  ( segid A and residue  112 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   25 and name HN  )  ( segid A and residue  113 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   25 and name HN  )  ( segid A and residue  114 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   25 and name HN  )  ( segid A and residue   26 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   26 and name HN  )  ( segid A and residue  114 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   26 and name HN  )  ( segid A and residue   28 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   26 and name HN  )  ( segid A and residue   29 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   28 and name HN  )  ( segid A and residue   29 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   28 and name HN  )  ( segid A and residue   30 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   28 and name HN  )  ( segid A and residue   31 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   28 and name HN  )  ( segid A and residue   32 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   29 and name HN  )  ( segid A and residue   30 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   29 and name HN  )  ( segid A and residue   31 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   29 and name HN  )  ( segid A and residue   32 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   30 and name HN  )  ( segid A and residue   31 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   30 and name HN  )  ( segid A and residue   32 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   31 and name HN  )  ( segid A and residue   32 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   32 and name HN  )  ( segid A and residue   33 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   32 and name HN  )  ( segid A and residue   35 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   35 and name HN  )  ( segid A and residue   36 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   35 and name HN  )  ( segid A and residue   37 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   36 and name HN  )  ( segid A and residue   37 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   37 and name HN  )  ( segid A and residue   39 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   39 and name HN  )  ( segid A and residue   40 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   39 and name HN  )  ( segid A and residue   41 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   39 and name HN  )  ( segid A and residue   61 and name HD21)  6.00  4.00  0.00
assign ( segid A and residue   39 and name HN  )  ( segid A and residue   61 and name HD22)  6.00  4.00  0.00
assign ( segid A and residue   40 and name HN  )  ( segid A and residue   41 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   40 and name HN  )  ( segid A and residue   61 and name HD21)  6.00  4.00  0.00
assign ( segid A and residue   40 and name HN  )  ( segid A and residue   61 and name HD22)  6.00  4.00  0.00
assign ( segid A and residue   41 and name HN  )  ( segid A and residue   61 and name HD21)  6.00  4.00  0.00
assign ( segid A and residue   41 and name HN  )  ( segid A and residue   61 and name HD22)  6.00  4.00  0.00
assign ( segid A and residue   44 and name HN  )  ( segid A and residue   65 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   45 and name HN  )  ( segid A and residue   46 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   47 and name HN  )  ( segid A and residue   49 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   47 and name HN  )  ( segid A and residue   50 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   47 and name HN  )  ( segid A and residue   51 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   49 and name HN  )  ( segid A and residue   50 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   49 and name HN  )  ( segid A and residue   51 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   49 and name HN  )  ( segid A and residue   52 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   49 and name HN  )  ( segid A and residue   53 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   50 and name HN  )  ( segid A and residue   51 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   50 and name HN  )  ( segid A and residue   52 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   50 and name HN  )  ( segid A and residue   53 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   51 and name HN  )  ( segid A and residue   52 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   51 and name HN  )  ( segid A and residue   53 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   51 and name HN  )  ( segid A and residue   54 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   51 and name HN  )  ( segid A and residue   55 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   52 and name HN  )  ( segid A and residue   53 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   52 and name HN  )  ( segid A and residue   54 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   52 and name HN  )  ( segid A and residue   55 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   53 and name HN  )  ( segid A and residue   54 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   53 and name HN  )  ( segid A and residue   55 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   54 and name HN  )  ( segid A and residue   55 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   55 and name HN  )  ( segid A and residue   56 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   56 and name HN  )  ( segid A and residue  128 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   56 and name HN  )  ( segid A and residue   58 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   58 and name HN  )  ( segid A and residue  120 and name HE1 )  6.00  4.00  0.00
assign ( segid A and residue   58 and name HN  )  ( segid A and residue  127 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   58 and name HN  )  ( segid A and residue  128 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   58 and name HN  )  ( segid A and residue   59 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   59 and name HN  )  ( segid A and residue  120 and name HE1 )  6.00  4.00  0.00
assign ( segid A and residue   59 and name HN  )  ( segid A and residue   60 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   59 and name HN  )  ( segid A and residue   61 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   60 and name HN  )  ( segid A and residue   61 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   61 and name HN  )  ( segid A and residue   62 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   62 and name HN  )  ( segid A and residue   63 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   63 and name HN  )  ( segid A and residue   64 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   65 and name HN  )  ( segid A and residue   64 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   65 and name HN  )  ( segid A and residue   66 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   66 and name HN  )  ( segid A and residue   67 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   67 and name HN  )  ( segid A and residue   68 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   67 and name HN  )  ( segid A and residue   69 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   67 and name HN  )  ( segid A and residue   70 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   68 and name HN  )  ( segid A and residue   69 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   68 and name HN  )  ( segid A and residue   70 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   68 and name HN  )  ( segid A and residue   71 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   69 and name HN  )  ( segid A and residue   70 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   69 and name HN  )  ( segid A and residue   71 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   70 and name HN  )  ( segid A and residue   71 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   71 and name HN  )  ( segid A and residue   73 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   71 and name HN  )  ( segid A and residue   74 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   73 and name HN  )  ( segid A and residue   74 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   73 and name HN  )  ( segid A and residue   75 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   74 and name HN  )  ( segid A and residue   75 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   74 and name HN  )  ( segid A and residue   76 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   74 and name HN  )  ( segid A and residue   77 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   75 and name HN  )  ( segid A and residue   76 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   75 and name HN  )  ( segid A and residue   77 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   76 and name HN  )  ( segid A and residue   77 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   76 and name HN  )  ( segid A and residue   79 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   77 and name HN  )  ( segid A and residue   79 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   78 and name HN  )  ( segid A and residue   79 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   79 and name HN  )  ( segid A and residue   80 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   80 and name HN  )  ( segid A and residue   82 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   80 and name HN  )  ( segid A and residue   83 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   82 and name HN  )  ( segid A and residue   83 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   89 and name HN  )  ( segid A and residue  117 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   96 and name HN  )  ( segid A and residue  100 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   96 and name HN  )  ( segid A and residue   97 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   96 and name HN  )  ( segid A and residue   98 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   96 and name HN  )  ( segid A and residue   99 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   97 and name HN  )  ( segid A and residue  100 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   97 and name HN  )  ( segid A and residue   98 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   97 and name HN  )  ( segid A and residue   99 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   98 and name HN  )  ( segid A and residue  100 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   98 and name HN  )  ( segid A and residue  101 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   98 and name HN  )  ( segid A and residue   99 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   99 and name HN  )  ( segid A and residue  100 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue   99 and name HN  )  ( segid A and residue  101 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  100 and name HN  )  ( segid A and residue  101 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  100 and name HN  )  ( segid A and residue  102 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  100 and name HN  )  ( segid A and residue  103 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  101 and name HN  )  ( segid A and residue  102 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  101 and name HN  )  ( segid A and residue  103 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  102 and name HN  )  ( segid A and residue  103 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  102 and name HN  )  ( segid A and residue  104 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  103 and name HN  )  ( segid A and residue  104 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  103 and name HN  )  ( segid A and residue  107 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  104 and name HN  )  ( segid A and residue  105 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  104 and name HN  )  ( segid A and residue  106 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  104 and name HN  )  ( segid A and residue  107 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  105 and name HN  )  ( segid A and residue  106 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  105 and name HN  )  ( segid A and residue  107 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  106 and name HN  )  ( segid A and residue  107 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  108 and name HN  )  ( segid A and residue  109 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  109 and name HN  )  ( segid A and residue  110 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  112 and name HD21)  ( segid A and residue   96 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  112 and name HD21)  ( segid A and residue   97 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  112 and name HD22)  ( segid A and residue   96 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  112 and name HD22)  ( segid A and residue   97 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  112 and name HN  )  ( segid A and residue  113 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  112 and name HN  )  ( segid A and residue  114 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  113 and name HN  )  ( segid A and residue  114 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  114 and name HN  )  ( segid A and residue  115 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  114 and name HN  )  ( segid A and residue  116 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  115 and name HN  )  ( segid A and residue  116 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  117 and name HN  )  ( segid A and residue  118 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  117 and name HN  )  ( segid A and residue  119 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  118 and name HN  )  ( segid A and residue  119 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  118 and name HN  )  ( segid A and residue  120 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  118 and name HN  )  ( segid A and residue  121 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  118 and name HN  )  ( segid A and residue  122 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  119 and name HN  )  ( segid A and residue  120 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  119 and name HN  )  ( segid A and residue  121 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  119 and name HN  )  ( segid A and residue  122 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  120 and name HE1 )  ( segid A and residue  127 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  120 and name HE1 )  ( segid A and residue  128 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  120 and name HN  )  ( segid A and residue  121 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  120 and name HN  )  ( segid A and residue  122 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  121 and name HN  )  ( segid A and residue  122 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  121 and name HN  )  ( segid A and residue  123 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  121 and name HN  )  ( segid A and residue  124 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  121 and name HN  )  ( segid A and residue  125 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  122 and name HN  )  ( segid A and residue  123 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  122 and name HN  )  ( segid A and residue  124 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  122 and name HN  )  ( segid A and residue  125 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  123 and name HN  )  ( segid A and residue  124 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  123 and name HN  )  ( segid A and residue  125 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  124 and name HN  )  ( segid A and residue  125 and name HN  )  6.00  4.00  0.00
assign ( segid A and residue  127 and name HN  )  ( segid A and residue  128 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue    6 and name HN  )  ( segid B and residue    7 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue    6 and name HN  )  ( segid B and residue    8 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue    8 and name HN  )  ( segid B and residue   10 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue    9 and name HN  )  ( segid B and residue   10 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue    9 and name HN  )  ( segid B and residue   11 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue    9 and name HN  )  ( segid B and residue   12 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   10 and name HN  )  ( segid B and residue   11 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   10 and name HN  )  ( segid B and residue   12 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   10 and name HN  )  ( segid B and residue   13 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   11 and name HN  )  ( segid B and residue   12 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   11 and name HN  )  ( segid B and residue   13 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   11 and name HN  )  ( segid B and residue   14 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   11 and name HN  )  ( segid B and residue   15 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   11 and name HN  )  ( segid B and residue    8 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   12 and name HN  )  ( segid B and residue   13 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   12 and name HN  )  ( segid B and residue   14 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   12 and name HN  )  ( segid B and residue   15 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   12 and name HN  )  ( segid B and residue   16 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   13 and name HN  )  ( segid B and residue   14 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   13 and name HN  )  ( segid B and residue   15 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   13 and name HN  )  ( segid B and residue   16 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   14 and name HN  )  ( segid B and residue   15 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   14 and name HN  )  ( segid B and residue   16 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   14 and name HN  )  ( segid B and residue   17 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   15 and name HN  )  ( segid B and residue   16 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   15 and name HN  )  ( segid B and residue   17 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   18 and name HN  )  ( segid B and residue   19 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   18 and name HN  )  ( segid B and residue   20 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   18 and name HN  )  ( segid B and residue   21 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   19 and name HN  )  ( segid B and residue   16 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   19 and name HN  )  ( segid B and residue   17 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   19 and name HN  )  ( segid B and residue   20 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   19 and name HN  )  ( segid B and residue   21 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   19 and name HN  )  ( segid B and residue   22 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   20 and name HN  )  ( segid B and residue   17 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   20 and name HN  )  ( segid B and residue   21 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   20 and name HN  )  ( segid B and residue   22 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   21 and name HN  )  ( segid B and residue   22 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   23 and name HN  )  ( segid B and residue  110 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   23 and name HN  )  ( segid B and residue  112 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   23 and name HN  )  ( segid B and residue   24 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   24 and name HN  )  ( segid B and residue  112 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   24 and name HN  )  ( segid B and residue   25 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   25 and name HN  )  ( segid B and residue  112 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   25 and name HN  )  ( segid B and residue  113 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   25 and name HN  )  ( segid B and residue  114 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   25 and name HN  )  ( segid B and residue   26 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   26 and name HN  )  ( segid B and residue  114 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   26 and name HN  )  ( segid B and residue   28 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   26 and name HN  )  ( segid B and residue   29 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   28 and name HN  )  ( segid B and residue   29 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   28 and name HN  )  ( segid B and residue   30 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   28 and name HN  )  ( segid B and residue   31 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   28 and name HN  )  ( segid B and residue   32 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   29 and name HN  )  ( segid B and residue   30 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   29 and name HN  )  ( segid B and residue   31 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   29 and name HN  )  ( segid B and residue   32 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   30 and name HN  )  ( segid B and residue   31 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   30 and name HN  )  ( segid B and residue   32 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   31 and name HN  )  ( segid B and residue   32 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   32 and name HN  )  ( segid B and residue   33 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   32 and name HN  )  ( segid B and residue   35 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   35 and name HN  )  ( segid B and residue   36 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   35 and name HN  )  ( segid B and residue   37 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   36 and name HN  )  ( segid B and residue   37 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   37 and name HN  )  ( segid B and residue   39 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   39 and name HN  )  ( segid B and residue   40 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   39 and name HN  )  ( segid B and residue   41 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   39 and name HN  )  ( segid B and residue   61 and name HD21)  6.00  4.00  0.00
assign ( segid B and residue   39 and name HN  )  ( segid B and residue   61 and name HD22)  6.00  4.00  0.00
assign ( segid B and residue   40 and name HN  )  ( segid B and residue   41 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   40 and name HN  )  ( segid B and residue   61 and name HD21)  6.00  4.00  0.00
assign ( segid B and residue   40 and name HN  )  ( segid B and residue   61 and name HD22)  6.00  4.00  0.00
assign ( segid B and residue   41 and name HN  )  ( segid B and residue   61 and name HD21)  6.00  4.00  0.00
assign ( segid B and residue   41 and name HN  )  ( segid B and residue   61 and name HD22)  6.00  4.00  0.00
assign ( segid B and residue   44 and name HN  )  ( segid B and residue   65 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   45 and name HN  )  ( segid B and residue   46 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   47 and name HN  )  ( segid B and residue   49 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   47 and name HN  )  ( segid B and residue   50 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   47 and name HN  )  ( segid B and residue   51 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   49 and name HN  )  ( segid B and residue   50 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   49 and name HN  )  ( segid B and residue   51 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   49 and name HN  )  ( segid B and residue   52 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   49 and name HN  )  ( segid B and residue   53 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   50 and name HN  )  ( segid B and residue   51 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   50 and name HN  )  ( segid B and residue   52 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   50 and name HN  )  ( segid B and residue   53 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   51 and name HN  )  ( segid B and residue   52 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   51 and name HN  )  ( segid B and residue   53 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   51 and name HN  )  ( segid B and residue   54 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   51 and name HN  )  ( segid B and residue   55 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   52 and name HN  )  ( segid B and residue   53 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   52 and name HN  )  ( segid B and residue   54 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   52 and name HN  )  ( segid B and residue   55 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   53 and name HN  )  ( segid B and residue   54 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   53 and name HN  )  ( segid B and residue   55 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   54 and name HN  )  ( segid B and residue   55 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   55 and name HN  )  ( segid B and residue   56 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   56 and name HN  )  ( segid B and residue  128 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   56 and name HN  )  ( segid B and residue   58 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   58 and name HN  )  ( segid B and residue  120 and name HE1 )  6.00  4.00  0.00
assign ( segid B and residue   58 and name HN  )  ( segid B and residue  127 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   58 and name HN  )  ( segid B and residue  128 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   58 and name HN  )  ( segid B and residue   59 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   59 and name HN  )  ( segid B and residue  120 and name HE1 )  6.00  4.00  0.00
assign ( segid B and residue   59 and name HN  )  ( segid B and residue   60 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   59 and name HN  )  ( segid B and residue   61 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   60 and name HN  )  ( segid B and residue   61 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   61 and name HN  )  ( segid B and residue   62 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   62 and name HN  )  ( segid B and residue   63 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   63 and name HN  )  ( segid B and residue   64 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   65 and name HN  )  ( segid B and residue   64 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   65 and name HN  )  ( segid B and residue   66 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   66 and name HN  )  ( segid B and residue   67 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   67 and name HN  )  ( segid B and residue   68 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   67 and name HN  )  ( segid B and residue   69 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   67 and name HN  )  ( segid B and residue   70 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   68 and name HN  )  ( segid B and residue   69 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   68 and name HN  )  ( segid B and residue   70 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   68 and name HN  )  ( segid B and residue   71 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   69 and name HN  )  ( segid B and residue   70 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   69 and name HN  )  ( segid B and residue   71 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   70 and name HN  )  ( segid B and residue   71 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   71 and name HN  )  ( segid B and residue   73 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   71 and name HN  )  ( segid B and residue   74 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   73 and name HN  )  ( segid B and residue   74 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   73 and name HN  )  ( segid B and residue   75 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   74 and name HN  )  ( segid B and residue   75 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   74 and name HN  )  ( segid B and residue   76 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   74 and name HN  )  ( segid B and residue   77 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   75 and name HN  )  ( segid B and residue   76 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   75 and name HN  )  ( segid B and residue   77 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   76 and name HN  )  ( segid B and residue   77 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   76 and name HN  )  ( segid B and residue   79 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   77 and name HN  )  ( segid B and residue   79 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   78 and name HN  )  ( segid B and residue   79 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   79 and name HN  )  ( segid B and residue   80 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   80 and name HN  )  ( segid B and residue   82 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   80 and name HN  )  ( segid B and residue   83 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   82 and name HN  )  ( segid B and residue   83 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   89 and name HN  )  ( segid B and residue  117 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   96 and name HN  )  ( segid B and residue  100 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   96 and name HN  )  ( segid B and residue   97 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   96 and name HN  )  ( segid B and residue   98 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   96 and name HN  )  ( segid B and residue   99 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   97 and name HN  )  ( segid B and residue  100 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   97 and name HN  )  ( segid B and residue   98 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   97 and name HN  )  ( segid B and residue   99 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   98 and name HN  )  ( segid B and residue  100 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   98 and name HN  )  ( segid B and residue  101 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   98 and name HN  )  ( segid B and residue   99 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   99 and name HN  )  ( segid B and residue  100 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue   99 and name HN  )  ( segid B and residue  101 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  100 and name HN  )  ( segid B and residue  101 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  100 and name HN  )  ( segid B and residue  102 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  100 and name HN  )  ( segid B and residue  103 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  101 and name HN  )  ( segid B and residue  102 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  101 and name HN  )  ( segid B and residue  103 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  102 and name HN  )  ( segid B and residue  103 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  102 and name HN  )  ( segid B and residue  104 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  103 and name HN  )  ( segid B and residue  104 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  103 and name HN  )  ( segid B and residue  107 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  104 and name HN  )  ( segid B and residue  105 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  104 and name HN  )  ( segid B and residue  106 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  104 and name HN  )  ( segid B and residue  107 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  105 and name HN  )  ( segid B and residue  106 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  105 and name HN  )  ( segid B and residue  107 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  106 and name HN  )  ( segid B and residue  107 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  108 and name HN  )  ( segid B and residue  109 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  109 and name HN  )  ( segid B and residue  110 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  112 and name HD21)  ( segid B and residue   96 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  112 and name HD21)  ( segid B and residue   97 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  112 and name HD22)  ( segid B and residue   96 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  112 and name HD22)  ( segid B and residue   97 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  112 and name HN  )  ( segid B and residue  113 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  112 and name HN  )  ( segid B and residue  114 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  113 and name HN  )  ( segid B and residue  114 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  114 and name HN  )  ( segid B and residue  115 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  114 and name HN  )  ( segid B and residue  116 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  115 and name HN  )  ( segid B and residue  116 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  117 and name HN  )  ( segid B and residue  118 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  117 and name HN  )  ( segid B and residue  119 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  118 and name HN  )  ( segid B and residue  119 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  118 and name HN  )  ( segid B and residue  120 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  118 and name HN  )  ( segid B and residue  121 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  118 and name HN  )  ( segid B and residue  122 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  119 and name HN  )  ( segid B and residue  120 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  119 and name HN  )  ( segid B and residue  121 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  119 and name HN  )  ( segid B and residue  122 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  120 and name HE1 )  ( segid B and residue  127 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  120 and name HE1 )  ( segid B and residue  128 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  120 and name HN  )  ( segid B and residue  121 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  120 and name HN  )  ( segid B and residue  122 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  121 and name HN  )  ( segid B and residue  122 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  121 and name HN  )  ( segid B and residue  123 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  121 and name HN  )  ( segid B and residue  124 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  121 and name HN  )  ( segid B and residue  125 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  122 and name HN  )  ( segid B and residue  123 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  122 and name HN  )  ( segid B and residue  124 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  122 and name HN  )  ( segid B and residue  125 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  123 and name HN  )  ( segid B and residue  124 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  123 and name HN  )  ( segid B and residue  125 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  124 and name HN  )  ( segid B and residue  125 and name HN  )  6.00  4.00  0.00
assign ( segid B and residue  127 and name HN  )  ( segid B and residue  128 and name HN  )  6.00  4.00  0.00

! inter-monomer distance restraints from asymmetric labeling NOESYs
assign (segid a and resid 7 and name hd%)
       (segid b and resid 75 and name hb%)
4.0 4.0 2.0
assign (segid a and resid 8 and name ha)
       (segid b and resid 75 and name hb%)
4.0 4.0 2.0
assign (segid a and resis 8 and name hb%)
       (segid b and resid 75 and name hb%)
4.0 4.0 2.0
assign (segid a and resid 10 and name hg2%)
       (segid b and resid 105 and name he%)
4.0 4.0 2.0
assign (segid a and resid 11 and name hn)
       (segid b and resid 105 and name he%)
4.0 4.0 2.0
assign (segid a and resid 12 and name hn)
       (segid b and resid 105 and name he%)
4.0 4.0 2.0
assign (segid a and resid 8 and name hn)
       (segid b and resid 75 and name hb%)
4.0 4.0 2.0
assign (segid a and resid 8 and name hn)
       (segid b and resid 75 and name hb%)
4.0 4.0 2.0

assign (segid b and resid 7 and name hd%)
       (segid a and resid 75 and name hb%)
4.0 4.0 2.0
assign (segid b and resid 8 and name ha)
       (segid a and resid 75 and name hb%)
4.0 4.0 2.0
assign (segid b and resis 8 and name hb%)
       (segid a and resid 75 and name hb%)
4.0 4.0 2.0
assign (segid b and resid 10 and name hg2%)
       (segid a and resid 105 and name he%)
4.0 4.0 2.0
assign (segid b and resid 11 and name hn)
       (segid a and resid 105 and name he%)
4.0 4.0 2.0
assign (segid b and resid 12 and name hn)
       (segid a and resid 105 and name he%)
4.0 4.0 2.0
assign (segid b and resid 8 and name hn)
       (segid a and resid 75 and name hb%)
4.0 4.0 2.0
assign (segid b and resid 8 and name hn)
       (segid a and resid 75 and name hb%)
4.0 4.0 2.0

! contraints defining H-bonds
assign ( segid A and residue   25 and name HN  ) ( segid A and residue  112  and name O )  1.80  0.00  0.50
assign ( segid A and residue   25 and name N  )  ( segid A and residue  112  and name O )  2.80  0.00  0.50

assign ( segid A and residue  112 and name HN  ) ( segid A and residue   23  and name O )  1.80  0.00  0.50
assign ( segid A and residue  112 and name N  )  ( segid A and residue   23  and name O )  2.80  0.00  0.50

assign ( segid A and residue   85 and name HN  ) ( segid A and residue  109  and name O )  1.80  0.00  0.50
assign ( segid A and residue   85 and name N  )  ( segid A and residue  109  and name O )  2.80  0.00  0.50

assign ( segid A and residue  111 and name HN  ) ( segid A and residue   85  and name O )  1.80  0.00  0.50
assign ( segid A and residue  111 and name N  )  ( segid A and residue   85  and name O )  2.80  0.00  0.50

assign ( segid A and residue   87 and name HN  ) ( segid A and residue  111  and name O )  1.80  0.00  0.50
assign ( segid A and residue   87 and name N  )  ( segid A and residue  111  and name O )  2.80  0.00  0.50

assign ( segid A and residue   86 and name HN  ) ( segid A and residue   41  and name O )  1.80  0.00  0.50
assign ( segid A and residue   86 and name N  )  ( segid A and residue   41  and name O )  2.80  0.00  0.50

assign ( segid A and residue   43 and name HN  ) ( segid A and residue   86  and name O )  1.80  0.00  0.50
assign ( segid A and residue   43 and name N  )  ( segid A and residue   86  and name O )  2.80  0.00  0.50

assign ( segid A and residue   88 and name HN  ) ( segid A and residue   43  and name O )  1.80  0.00  0.50
assign ( segid A and residue   88 and name N  )  ( segid A and residue   43  and name O )  2.80  0.00  0.50

assign ( segid A and residue   63 and name HN  ) ( segid A and residue   42  and name O )  1.80  0.00  0.50
assign ( segid A and residue   63 and name N  )  ( segid A and residue   42  and name O )  2.80  0.00  0.50

assign ( segid A and residue   44 and name HN  ) ( segid A and residue   63  and name O )  1.80  0.00  0.50
assign ( segid A and residue   44 and name N  )  ( segid A and residue   63  and name O )  2.80  0.00  0.50

assign ( segid A and residue   65 and name HN  ) ( segid A and residue   44  and name O )  1.80  0.00  0.50
assign ( segid A and residue   65 and name N  )  ( segid A and residue   44  and name O )  2.80  0.00  0.50

assign ( segid B and residue   25 and name HN  ) ( segid B and residue  112  and name O )  1.80  0.00  0.50
assign ( segid B and residue   25 and name N  )  ( segid B and residue  112  and name O )  2.80  0.00  0.50

assign ( segid B and residue  112 and name HN  ) ( segid B and residue   23  and name O )  1.80  0.00  0.50
assign ( segid B and residue  112 and name N  )  ( segid B and residue   23  and name O )  2.80  0.00  0.50

assign ( segid B and residue   85 and name HN  ) ( segid B and residue  109  and name O )  1.80  0.00  0.50
assign ( segid B and residue   85 and name N  )  ( segid B and residue  109  and name O )  2.80  0.00  0.50

assign ( segid B and residue  111 and name HN  ) ( segid B and residue   85  and name O )  1.80  0.00  0.50
assign ( segid B and residue  111 and name N  )  ( segid B and residue   85  and name O )  2.80  0.00  0.50

assign ( segid B and residue   87 and name HN  ) ( segid B and residue  111  and name O )  1.80  0.00  0.50
assign ( segid B and residue   87 and name N  )  ( segid B and residue  111  and name O )  2.80  0.00  0.50

assign ( segid B and residue   86 and name HN  ) ( segid B and residue   41  and name O )  1.80  0.00  0.50
assign ( segid B and residue   86 and name N  )  ( segid B and residue   41  and name O )  2.80  0.00  0.50

assign ( segid B and residue   43 and name HN  ) ( segid B and residue   86  and name O )  1.80  0.00  0.50
assign ( segid B and residue   43 and name N  )  ( segid B and residue   86  and name O )  2.80  0.00  0.50

assign ( segid B and residue   88 and name HN  ) ( segid B and residue   43  and name O )  1.80  0.00  0.50
assign ( segid B and residue   88 and name N  )  ( segid B and residue   43  and name O )  2.80  0.00  0.50

assign ( segid B and residue   63 and name HN  ) ( segid B and residue   42  and name O )  1.80  0.00  0.50
assign ( segid B and residue   63 and name N  )  ( segid B and residue   42  and name O )  2.80  0.00  0.50

assign ( segid B and residue   44 and name HN  ) ( segid B and residue   63  and name O )  1.80  0.00  0.50
assign ( segid B and residue   44 and name N  )  ( segid B and residue   63  and name O )  2.80  0.00  0.50

assign ( segid B and residue   65 and name HN  ) ( segid B and residue   44  and name O )  1.80  0.00  0.50
assign ( segid B and residue   65 and name N  )  ( segid B and residue   44  and name O )  2.80  0.00  0.50

! residual dipolar coupling restraints
! allignment tensor components: R = 0.315 Da = - 16.747
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 4 and name N) (segid A and resid 4 and name HN) -6.8050 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 5 and name N) (segid A and resid 5 and name HN) -17.2850 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 6 and name N) (segid A and resid 6 and name HN) -22.4700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 8 and name N) (segid A and resid 8 and name HN) -11.1500 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 9 and name N) (segid A and resid 9 and name HN) -9.1450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 10 and name N) (segid A and resid 10 and name HN) -20.6850 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 11 and name N) (segid A and resid 11 and name HN) -7.9450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 13 and name N) (segid A and resid 13 and name HN) -28.5699 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 14 and name N) (segid A and resid 14 and name HN) -13.9700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 15 and name N) (segid A and resid 15 and name HN) -10.4300 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 19 and name N) (segid A and resid 19 and name HN) 2.3550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 20 and name N) (segid A and resid 20 and name HN) -33.8751 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 21 and name N) (segid A and resid 21 and name HN) -12.1800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 22 and name N) (segid A and resid 22 and name HN) 6.8800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 24 and name N) (segid A and resid 24 and name HN) 20.7600 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 25 and name N) (segid A and resid 25 and name HN) -16.8850 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 26 and name N) (segid A and resid 26 and name HN) -18.0250 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 28 and name N) (segid A and resid 28 and name HN) 10.1500 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 29 and name N) (segid A and resid 29 and name HN) -7.8750 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 30 and name N) (segid A and resid 30 and name HN) 4.3450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 31 and name N) (segid A and resid 31 and name HN) 6.9550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 34 and name N) (segid A and resid 34 and name HN) 8.3550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 35 and name N) (segid A and resid 35 and name HN) 8.4000 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 36 and name N) (segid A and resid 36 and name HN) 3.3750 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 39 and name N) (segid A and resid 39 and name HN) -18.6200 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 40 and name N) (segid A and resid 40 and name HN) -22.5700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 42 and name N) (segid A and resid 42 and name HN) 20.2550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 43 and name N) (segid A and resid 43 and name HN) 14.8300 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 44 and name N) (segid A and resid 44 and name HN) 13.0250 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 45 and name N) (segid A and resid 45 and name HN) -2.4800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 47 and name N) (segid A and resid 47 and name HN) 7.8300 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 49 and name N) (segid A and resid 49 and name HN) 4.0100 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 50 and name N) (segid A and resid 50 and name HN) 12.8900 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 51 and name N) (segid A and resid 51 and name HN) -13.1150 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 52 and name N) (segid A and resid 52 and name HN) -19.8900 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 53 and name N) (segid A and resid 53 and name HN) 2.0900 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 54 and name N) (segid A and resid 54 and name HN) 0.1450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 56 and name N) (segid A and resid 56 and name HN) 6.0600 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 59 and name N) (segid A and resid 59 and name HN) -27.1350 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 60 and name N) (segid A and resid 60 and name HN) -15.8150 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 61 and name N) (segid A and resid 61 and name HN) -1.0150 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 62 and name N) (segid A and resid 62 and name HN) 19.2800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 63 and name N) (segid A and resid 63 and name HN) 15.6300 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 64 and name N) (segid A and resid 64 and name HN) 17.7700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 65 and name N) (segid A and resid 65 and name HN) 2.0900 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 66 and name N) (segid A and resid 66 and name HN) 12.8200 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 68 and name N) (segid A and resid 68 and name HN) 20.4350 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 70 and name N) (segid A and resid 70 and name HN) 6.4700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 71 and name N) (segid A and resid 71 and name HN) -4.3100 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 73 and name N) (segid A and resid 73 and name HN) 6.6550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 75 and name N) (segid A and resid 75 and name HN) -25.5501 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 76 and name N) (segid A and resid 76 and name HN) -7.2750 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 77 and name N) (segid A and resid 77 and name HN) 8.7650 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 78 and name N) (segid A and resid 78 and name HN) -13.2050 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 80 and name N) (segid A and resid 80 and name HN) -6.6450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 82 and name N) (segid A and resid 82 and name HN) 13.3500 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 86 and name N) (segid A and resid 86 and name HN) 21.1700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 87 and name N) (segid A and resid 87 and name HN) 14.8600 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 89 and name N) (segid A and resid 89 and name HN) -18.1800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 96 and name N) (segid A and resid 96 and name HN) 7.8700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 97 and name N) (segid A and resid 97 and name HN) 19.3350 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 98 and name N) (segid A and resid 98 and name HN) 15.3150 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 100 and name N) (segid A and resid 100 and name HN) 9.5450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 105 and name N) (segid A and resid 105 and name HN) 8.0500 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 109 and name N) (segid A and resid 109 and name HN) 12.6250 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 110 and name N) (segid A and resid 110 and name HN) 24.2800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 111 and name N) (segid A and resid 111 and name HN) 17.0100 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 112 and name N) (segid A and resid 112 and name HN) -0.3500 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 113 and name N) (segid A and resid 113 and name HN) -16.3700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 114 and name N) (segid A and resid 114 and name HN) -24.1700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 115 and name N) (segid A and resid 115 and name HN) 8.6900 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 118 and name N) (segid A and resid 118 and name HN) -3.6700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 119 and name N) (segid A and resid 119 and name HN) 3.2850 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 120 and name N) (segid A and resid 120 and name HN) -27.9801 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 121 and name N) (segid A and resid 121 and name HN) -28.2599 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 122 and name N) (segid A and resid 122 and name HN) -6.1550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 123 and name N) (segid A and resid 123 and name HN) -10.4000 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 125 and name N) (segid A and resid 125 and name HN) -12.1250 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 127 and name N) (segid A and resid 127 and name HN) 12.2050 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 128 and name N) (segid A and resid 128 and name HN) 9.4100 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid A and resid 130 and name N) (segid A and resid 130 and name HN) -15.6550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 4 and name N) (segid B and resid 4 and name HN) -6.8050 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 5 and name N) (segid B and resid 5 and name HN) -17.2850 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 6 and name N) (segid B and resid 6 and name HN) -22.4700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 8 and name N) (segid B and resid 8 and name HN) -11.1500 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 9 and name N) (segid B and resid 9 and name HN) -9.1450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 10 and name N) (segid B and resid 10 and name HN) -20.6850 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 11 and name N) (segid B and resid 11 and name HN) -7.9450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 13 and name N) (segid B and resid 13 and name HN) -28.5699 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 14 and name N) (segid B and resid 14 and name HN) -13.9700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 15 and name N) (segid B and resid 15 and name HN) -10.4300 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 19 and name N) (segid B and resid 19 and name HN) 2.3550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 20 and name N) (segid B and resid 20 and name HN) -33.8751 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 21 and name N) (segid B and resid 21 and name HN) -12.1800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 22 and name N) (segid B and resid 22 and name HN) 6.8800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 24 and name N) (segid B and resid 24 and name HN) 20.7600 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 25 and name N) (segid B and resid 25 and name HN) -16.8850 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 26 and name N) (segid B and resid 26 and name HN) -18.0250 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 28 and name N) (segid B and resid 28 and name HN) 10.1500 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 29 and name N) (segid B and resid 29 and name HN) -7.8750 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 30 and name N) (segid B and resid 30 and name HN) 4.3450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 31 and name N) (segid B and resid 31 and name HN) 6.9550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 34 and name N) (segid B and resid 34 and name HN) 8.3550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 35 and name N) (segid B and resid 35 and name HN) 8.4000 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 36 and name N) (segid B and resid 36 and name HN) 3.3750 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 39 and name N) (segid B and resid 39 and name HN) -18.6200 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 40 and name N) (segid B and resid 40 and name HN) -22.5700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 42 and name N) (segid B and resid 42 and name HN) 20.2550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 43 and name N) (segid B and resid 43 and name HN) 14.8300 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 44 and name N) (segid B and resid 44 and name HN) 13.0250 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 45 and name N) (segid B and resid 45 and name HN) -2.4800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 47 and name N) (segid B and resid 47 and name HN) 7.8300 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 49 and name N) (segid B and resid 49 and name HN) 4.0100 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 50 and name N) (segid B and resid 50 and name HN) 12.8900 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 51 and name N) (segid B and resid 51 and name HN) -13.1150 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 52 and name N) (segid B and resid 52 and name HN) -19.8900 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 53 and name N) (segid B and resid 53 and name HN) 2.0900 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 54 and name N) (segid B and resid 54 and name HN) 0.1450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 56 and name N) (segid B and resid 56 and name HN) 6.0600 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 59 and name N) (segid B and resid 59 and name HN) -27.1350 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 60 and name N) (segid B and resid 60 and name HN) -15.8150 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 61 and name N) (segid B and resid 61 and name HN) -1.0150 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 62 and name N) (segid B and resid 62 and name HN) 19.2800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 63 and name N) (segid B and resid 63 and name HN) 15.6300 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 64 and name N) (segid B and resid 64 and name HN) 17.7700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 65 and name N) (segid B and resid 65 and name HN) 2.0900 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 66 and name N) (segid B and resid 66 and name HN) 12.8200 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 68 and name N) (segid B and resid 68 and name HN) 20.4350 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 70 and name N) (segid B and resid 70 and name HN) 6.4700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 71 and name N) (segid B and resid 71 and name HN) -4.3100 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 73 and name N) (segid B and resid 73 and name HN) 6.6550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 75 and name N) (segid B and resid 75 and name HN) -25.5501 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 76 and name N) (segid B and resid 76 and name HN) -7.2750 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 77 and name N) (segid B and resid 77 and name HN) 8.7650 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 78 and name N) (segid B and resid 78 and name HN) -13.2050 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 80 and name N) (segid B and resid 80 and name HN) -6.6450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 82 and name N) (segid B and resid 82 and name HN) 13.3500 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 86 and name N) (segid B and resid 86 and name HN) 21.1700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 87 and name N) (segid B and resid 87 and name HN) 14.8600 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 89 and name N) (segid B and resid 89 and name HN) -18.1800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 96 and name N) (segid B and resid 96 and name HN) 7.8700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 97 and name N) (segid B and resid 97 and name HN) 19.3350 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 98 and name N) (segid B and resid 98 and name HN) 15.3150 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 100 and name N) (segid B and resid 100 and name HN) 9.5450 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 105 and name N) (segid B and resid 105 and name HN) 8.0500 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 109 and name N) (segid B and resid 109 and name HN) 12.6250 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 110 and name N) (segid B and resid 110 and name HN) 24.2800 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 111 and name N) (segid B and resid 111 and name HN) 17.0100 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 112 and name N) (segid B and resid 112 and name HN) -0.3500 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 113 and name N) (segid B and resid 113 and name HN) -16.3700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 114 and name N) (segid B and resid 114 and name HN) -24.1700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 115 and name N) (segid B and resid 115 and name HN) 8.6900 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 118 and name N) (segid B and resid 118 and name HN) -3.6700 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 119 and name N) (segid B and resid 119 and name HN) 3.2850 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 120 and name N) (segid B and resid 120 and name HN) -27.9801 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 121 and name N) (segid B and resid 121 and name HN) -28.2599 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 122 and name N) (segid B and resid 122 and name HN) -6.1550 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 123 and name N) (segid B and resid 123 and name HN) -10.4000 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 125 and name N) (segid B and resid 125 and name HN) -12.1250 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 127 and name N) (segid B and resid 127 and name HN) 12.2050 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 128 and name N) (segid B and resid 128 and name HN) 9.4100 0.0000
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid B and resid 130 and name N) (segid B and resid 130 and name HN) -15.6550 0.0000

! dihedral angle restraints obtained with TALOS from CS information
assign (segid A and resid    2 and name C ) (segid A and resid    3 and name N )
       (segid A and resid    3 and name CA) (segid A and resid    3 and name C )  1.00  -89.090   23.48   2
assign (segid A and resid    3 and name N ) (segid A and resid    3 and name CA)
       (segid A and resid    3 and name C ) (segid A and resid    4 and name N )  1.00  4.420   26.44   2
assign (segid A and resid    4 and name C ) (segid A and resid    5 and name N )
       (segid A and resid    5 and name CA) (segid A and resid    5 and name C )  1.00  -63.040   13.56   2
assign (segid A and resid    5 and name N ) (segid A and resid    5 and name CA)
       (segid A and resid    5 and name C ) (segid A and resid    6 and name N )  1.00  -46.060   12.3   2
assign (segid A and resid    5 and name C ) (segid A and resid    6 and name N )
       (segid A and resid    6 and name CA) (segid A and resid    6 and name C )  1.00  -62.260   14.66   2
assign (segid A and resid    6 and name N ) (segid A and resid    6 and name CA)
       (segid A and resid    6 and name C ) (segid A and resid    7 and name N )  1.00  -42.330   14.8   2
assign (segid A and resid    6 and name C ) (segid A and resid    7 and name N )
       (segid A and resid    7 and name CA) (segid A and resid    7 and name C )  1.00  -66.970   23.98   2
assign (segid A and resid    7 and name N ) (segid A and resid    7 and name CA)
       (segid A and resid    7 and name C ) (segid A and resid    8 and name N )  1.00  -39.720   17.02   2
assign (segid A and resid    7 and name C ) (segid A and resid    8 and name N )
       (segid A and resid    8 and name CA) (segid A and resid    8 and name C )  1.00  -62.950   8.16   2
assign (segid A and resid    8 and name N ) (segid A and resid    8 and name CA)
       (segid A and resid    8 and name C ) (segid A and resid    9 and name N )  1.00  -43.150   14.16   2
assign (segid A and resid    8 and name C ) (segid A and resid    9 and name N )
       (segid A and resid    9 and name CA) (segid A and resid    9 and name C )  1.00  -62.830   9.62   2
assign (segid A and resid    9 and name N ) (segid A and resid    9 and name CA)
       (segid A and resid    9 and name C ) (segid A and resid    10 and name N )  1.00  -42.630   14.88   2
assign (segid A and resid    9 and name C ) (segid A and resid    10 and name N )
       (segid A and resid    10 and name CA) (segid A and resid    10 and name C )  1.00  -65.250   8.7   2
assign (segid A and resid    10 and name N ) (segid A and resid    10 and name CA)
       (segid A and resid    10 and name C ) (segid A and resid    11 and name N )  1.00  -39.260   17.66   2
assign (segid A and resid    10 and name C ) (segid A and resid    11 and name N )
       (segid A and resid    11 and name CA) (segid A and resid    11 and name C )  1.00  -61.240   8.36   2
assign (segid A and resid    11 and name N ) (segid A and resid    11 and name CA)
       (segid A and resid    11 and name C ) (segid A and resid    12 and name N )  1.00  -39.160   9.52   2
assign (segid A and resid    11 and name C ) (segid A and resid    12 and name N )
       (segid A and resid    12 and name CA) (segid A and resid    12 and name C )  1.00  -64.700   4.06   2
assign (segid A and resid    12 and name N ) (segid A and resid    12 and name CA)
       (segid A and resid    12 and name C ) (segid A and resid    13 and name N )  1.00  -42.510   13.86   2
assign (segid A and resid    12 and name C ) (segid A and resid    13 and name N )
       (segid A and resid    13 and name CA) (segid A and resid    13 and name C )  1.00  -64.660   9.5   2
assign (segid A and resid    13 and name N ) (segid A and resid    13 and name CA)
       (segid A and resid    13 and name C ) (segid A and resid    14 and name N )  1.00  -39.700   9.48   2
assign (segid A and resid    13 and name C ) (segid A and resid    14 and name N )
       (segid A and resid    14 and name CA) (segid A and resid    14 and name C )  1.00  -64.000   6.8   2
assign (segid A and resid    14 and name N ) (segid A and resid    14 and name CA)
       (segid A and resid    14 and name C ) (segid A and resid    15 and name N )  1.00  -40.160   8.62   2
assign (segid A and resid    14 and name C ) (segid A and resid    15 and name N )
       (segid A and resid    15 and name CA) (segid A and resid    15 and name C )  1.00  -65.040   9.28   2
assign (segid A and resid    15 and name N ) (segid A and resid    15 and name CA)
       (segid A and resid    15 and name C ) (segid A and resid    16 and name N )  1.00  -44.630   9.7   2
assign (segid A and resid    15 and name C ) (segid A and resid    16 and name N )
       (segid A and resid    16 and name CA) (segid A and resid    16 and name C )  1.00  -58.540   12.32   2
assign (segid A and resid    16 and name N ) (segid A and resid    16 and name CA)
       (segid A and resid    16 and name C ) (segid A and resid    17 and name N )  1.00  -42.330   13.7   2
assign (segid A and resid    16 and name C ) (segid A and resid    17 and name N )
       (segid A and resid    17 and name CA) (segid A and resid    17 and name C )  1.00  -60.230   10.32   2
assign (segid A and resid    17 and name N ) (segid A and resid    17 and name CA)
       (segid A and resid    17 and name C ) (segid A and resid    18 and name N )  1.00  -42.970   16.2   2
assign (segid A and resid    17 and name C ) (segid A and resid    18 and name N )
       (segid A and resid    18 and name CA) (segid A and resid    18 and name C )  1.00  -63.000   10.54   2
assign (segid A and resid    18 and name N ) (segid A and resid    18 and name CA)
       (segid A and resid    18 and name C ) (segid A and resid    19 and name N )  1.00  -42.700   9.24   2
assign (segid A and resid    18 and name C ) (segid A and resid    19 and name N )
       (segid A and resid    19 and name CA) (segid A and resid    19 and name C )  1.00  -63.060   10.08   2
assign (segid A and resid    19 and name N ) (segid A and resid    19 and name CA)
       (segid A and resid    19 and name C ) (segid A and resid    20 and name N )  1.00  -40.620   14.62   2
assign (segid A and resid    19 and name C ) (segid A and resid    20 and name N )
       (segid A and resid    20 and name CA) (segid A and resid    20 and name C )  1.00  -69.870   36.4   2
assign (segid A and resid    20 and name N ) (segid A and resid    20 and name CA)
       (segid A and resid    20 and name C ) (segid A and resid    21 and name N )  1.00  -26.400   41.5   2
assign (segid A and resid    21 and name C ) (segid A and resid    22 and name N )
       (segid A and resid    22 and name CA) (segid A and resid    22 and name C )  1.00  -109.730   54.1   2
assign (segid A and resid    22 and name N ) (segid A and resid    22 and name CA)
       (segid A and resid    22 and name C ) (segid A and resid    23 and name N )  1.00  128.880   60.64   2
assign (segid A and resid    22 and name C ) (segid A and resid    23 and name N )
       (segid A and resid    23 and name CA) (segid A and resid    23 and name C )  1.00  -99.770   35.64   2
assign (segid A and resid    23 and name N ) (segid A and resid    23 and name CA)
       (segid A and resid    23 and name C ) (segid A and resid    24 and name N )  1.00  117.650   21.9   2
assign (segid A and resid    23 and name C ) (segid A and resid    24 and name N )
       (segid A and resid    24 and name CA) (segid A and resid    24 and name C )  1.00  -101.720   35.66   2
assign (segid A and resid    24 and name N ) (segid A and resid    24 and name CA)
       (segid A and resid    24 and name C ) (segid A and resid    25 and name N )  1.00  127.900   26.94   2
assign (segid A and resid    24 and name C ) (segid A and resid    25 and name N )
       (segid A and resid    25 and name CA) (segid A and resid    25 and name C )  1.00  -134.110   21.56   2
assign (segid A and resid    25 and name N ) (segid A and resid    25 and name CA)
       (segid A and resid    25 and name C ) (segid A and resid    26 and name N )  1.00  153.640   36.72   2
assign (segid A and resid    25 and name C ) (segid A and resid    26 and name N )
       (segid A and resid    26 and name CA) (segid A and resid    26 and name C )  1.00  -110.590   54.94   2
assign (segid A and resid    26 and name N ) (segid A and resid    26 and name CA)
       (segid A and resid    26 and name C ) (segid A and resid    27 and name N )  1.00  128.290   61.36   2
assign (segid A and resid    27 and name C ) (segid A and resid    28 and name N )
       (segid A and resid    28 and name CA) (segid A and resid    28 and name C )  1.00  -60.060   13   2
assign (segid A and resid    28 and name N ) (segid A and resid    28 and name CA)
       (segid A and resid    28 and name C ) (segid A and resid    29 and name N )  1.00  -44.120   12.68   2
assign (segid A and resid    28 and name C ) (segid A and resid    29 and name N )
       (segid A and resid    29 and name CA) (segid A and resid    29 and name C )  1.00  -63.360   14.6   2
assign (segid A and resid    29 and name N ) (segid A and resid    29 and name CA)
       (segid A and resid    29 and name C ) (segid A and resid    30 and name N )  1.00  -41.260   11.12   2
assign (segid A and resid    29 and name C ) (segid A and resid    30 and name N )
       (segid A and resid    30 and name CA) (segid A and resid    30 and name C )  1.00  -63.960   10.36   2
assign (segid A and resid    30 and name N ) (segid A and resid    30 and name CA)
       (segid A and resid    30 and name C ) (segid A and resid    31 and name N )  1.00  -38.740   14.16   2
assign (segid A and resid    30 and name C ) (segid A and resid    31 and name N )
       (segid A and resid    31 and name CA) (segid A and resid    31 and name C )  1.00  -59.010   15.02   2
assign (segid A and resid    31 and name N ) (segid A and resid    31 and name CA)
       (segid A and resid    31 and name C ) (segid A and resid    32 and name N )  1.00  -42.610   14.5   2
assign (segid A and resid    31 and name C ) (segid A and resid    32 and name N )
       (segid A and resid    32 and name CA) (segid A and resid    32 and name C )  1.00  -61.280   11.8   2
assign (segid A and resid    32 and name N ) (segid A and resid    32 and name CA)
       (segid A and resid    32 and name C ) (segid A and resid    33 and name N )  1.00  -43.230   9.8   2
assign (segid A and resid    32 and name C ) (segid A and resid    33 and name N )
       (segid A and resid    33 and name CA) (segid A and resid    33 and name C )  1.00  -64.070   9.7   2
assign (segid A and resid    33 and name N ) (segid A and resid    33 and name CA)
       (segid A and resid    33 and name C ) (segid A and resid    34 and name N )  1.00  -41.470   13.14   2
assign (segid A and resid    33 and name C ) (segid A and resid    34 and name N )
       (segid A and resid    34 and name CA) (segid A and resid    34 and name C )  1.00  -63.170   14.5   2
assign (segid A and resid    34 and name N ) (segid A and resid    34 and name CA)
       (segid A and resid    34 and name C ) (segid A and resid    35 and name N )  1.00  -40.560   14.72   2
assign (segid A and resid    34 and name C ) (segid A and resid    35 and name N )
       (segid A and resid    35 and name CA) (segid A and resid    35 and name C )  1.00  -60.440   15.12   2
assign (segid A and resid    35 and name N ) (segid A and resid    35 and name CA)
       (segid A and resid    35 and name C ) (segid A and resid    36 and name N )  1.00  -36.390   19.02   2
assign (segid A and resid    35 and name C ) (segid A and resid    36 and name N )
       (segid A and resid    36 and name CA) (segid A and resid    36 and name C )  1.00  -74.500   30.2   2
assign (segid A and resid    36 and name N ) (segid A and resid    36 and name CA)
       (segid A and resid    36 and name C ) (segid A and resid    37 and name N )  1.00  -19.450   30.98   2
assign (segid A and resid    36 and name C ) (segid A and resid    37 and name N )
       (segid A and resid    37 and name CA) (segid A and resid    37 and name C )  1.00  -116.620   53.02   2
assign (segid A and resid    37 and name N ) (segid A and resid    37 and name CA)
       (segid A and resid    37 and name C ) (segid A and resid    38 and name N )  1.00  128.220   59.64   2
assign (segid A and resid    39 and name C ) (segid A and resid    40 and name N )
       (segid A and resid    40 and name CA) (segid A and resid    40 and name C )  1.00  -88.590   46.82   2
assign (segid A and resid    40 and name N ) (segid A and resid    40 and name CA)
       (segid A and resid    40 and name C ) (segid A and resid    41 and name N )  1.00  126.660   46.26   2
assign (segid A and resid    40 and name C ) (segid A and resid    41 and name N )
       (segid A and resid    41 and name CA) (segid A and resid    41 and name C )  1.00  -104.500   17.44   2
assign (segid A and resid    41 and name N ) (segid A and resid    41 and name CA)
       (segid A and resid    41 and name C ) (segid A and resid    42 and name N )  1.00  123.950   20.62   2
assign (segid A and resid    41 and name C ) (segid A and resid    42 and name N )
       (segid A and resid    42 and name CA) (segid A and resid    42 and name C )  1.00  -102.790   27.6   2
assign (segid A and resid    42 and name N ) (segid A and resid    42 and name CA)
       (segid A and resid    42 and name C ) (segid A and resid    43 and name N )  1.00  123.890   14.52   2
assign (segid A and resid    42 and name C ) (segid A and resid    43 and name N )
       (segid A and resid    43 and name CA) (segid A and resid    43 and name C )  1.00  -111.340   30.12   2
assign (segid A and resid    43 and name N ) (segid A and resid    43 and name CA)
       (segid A and resid    43 and name C ) (segid A and resid    44 and name N )  1.00  124.420   27   2
assign (segid A and resid    43 and name C ) (segid A and resid    44 and name N )
       (segid A and resid    44 and name CA) (segid A and resid    44 and name C )  1.00  -105.640   46.7   2
assign (segid A and resid    44 and name N ) (segid A and resid    44 and name CA)
       (segid A and resid    44 and name C ) (segid A and resid    45 and name N )  1.00  137.250   36.52   2
assign (segid A and resid    44 and name C ) (segid A and resid    45 and name N )
       (segid A and resid    45 and name CA) (segid A and resid    45 and name C )  1.00  -99.520   31.52   2
assign (segid A and resid    45 and name N ) (segid A and resid    45 and name CA)
       (segid A and resid    45 and name C ) (segid A and resid    46 and name N )  1.00  136.730   35.62   2
assign (segid A and resid    45 and name C ) (segid A and resid    46 and name N )
       (segid A and resid    46 and name CA) (segid A and resid    46 and name C )  1.00  -119.030   78.66   2
assign (segid A and resid    46 and name N ) (segid A and resid    46 and name CA)
       (segid A and resid    46 and name C ) (segid A and resid    47 and name N )  1.00  143.450   55.76   2
assign (segid A and resid    47 and name C ) (segid A and resid    48 and name N )
       (segid A and resid    48 and name CA) (segid A and resid    48 and name C )  1.00  -61.690   17.76   2
assign (segid A and resid    48 and name N ) (segid A and resid    48 and name CA)
       (segid A and resid    48 and name C ) (segid A and resid    49 and name N )  1.00  -36.330   16.32   2
assign (segid A and resid    48 and name C ) (segid A and resid    49 and name N )
       (segid A and resid    49 and name CA) (segid A and resid    49 and name C )  1.00  -62.720   15.14   2
assign (segid A and resid    49 and name N ) (segid A and resid    49 and name CA)
       (segid A and resid    49 and name C ) (segid A and resid    50 and name N )  1.00  -44.090   11.4   2
assign (segid A and resid    49 and name C ) (segid A and resid    50 and name N )
       (segid A and resid    50 and name CA) (segid A and resid    50 and name C )  1.00  -65.630   7.36   2
assign (segid A and resid    50 and name N ) (segid A and resid    50 and name CA)
       (segid A and resid    50 and name C ) (segid A and resid    51 and name N )  1.00  -41.350   11.58   2
assign (segid A and resid    50 and name C ) (segid A and resid    51 and name N )
       (segid A and resid    51 and name CA) (segid A and resid    51 and name C )  1.00  -64.160   8.22   2
assign (segid A and resid    51 and name N ) (segid A and resid    51 and name CA)
       (segid A and resid    51 and name C ) (segid A and resid    52 and name N )  1.00  -40.210   5.14   2
assign (segid A and resid    51 and name C ) (segid A and resid    52 and name N )
       (segid A and resid    52 and name CA) (segid A and resid    52 and name C )  1.00  -63.300   15.32   2
assign (segid A and resid    52 and name N ) (segid A and resid    52 and name CA)
       (segid A and resid    52 and name C ) (segid A and resid    53 and name N )  1.00  -39.500   11.44   2
assign (segid A and resid    52 and name C ) (segid A and resid    53 and name N )
       (segid A and resid    53 and name CA) (segid A and resid    53 and name C )  1.00  -68.430   28.48   2
assign (segid A and resid    53 and name N ) (segid A and resid    53 and name CA)
       (segid A and resid    53 and name C ) (segid A and resid    54 and name N )  1.00  -29.850   17.8   2
assign (segid A and resid    53 and name C ) (segid A and resid    54 and name N )
       (segid A and resid    54 and name CA) (segid A and resid    54 and name C )  1.00  -94.520   27.58   2
assign (segid A and resid    54 and name N ) (segid A and resid    54 and name CA)
       (segid A and resid    54 and name C ) (segid A and resid    55 and name N )  1.00  -1.110   31.46   2
assign (segid A and resid    55 and name C ) (segid A and resid    56 and name N )
       (segid A and resid    56 and name CA) (segid A and resid    56 and name C )  1.00  -117.350   66.92   2
assign (segid A and resid    56 and name N ) (segid A and resid    56 and name CA)
       (segid A and resid    56 and name C ) (segid A and resid    57 and name N )  1.00  152.200   30.54   2
assign (segid A and resid    58 and name C ) (segid A and resid    59 and name N )
       (segid A and resid    59 and name CA) (segid A and resid    59 and name C )  1.00  -122.660   47.62   2
assign (segid A and resid    59 and name N ) (segid A and resid    59 and name CA)
       (segid A and resid    59 and name C ) (segid A and resid    60 and name N )  1.00  154.150   27.68   2
assign (segid A and resid    60 and name C ) (segid A and resid    61 and name N )
       (segid A and resid    61 and name CA) (segid A and resid    61 and name C )  1.00  -98.400   38.74   2
assign (segid A and resid    61 and name N ) (segid A and resid    61 and name CA)
       (segid A and resid    61 and name C ) (segid A and resid    62 and name N )  1.00  115.040   54.98   2
assign (segid A and resid    61 and name C ) (segid A and resid    62 and name N )
       (segid A and resid    62 and name CA) (segid A and resid    62 and name C )  1.00  -100.030   37.34   2
assign (segid A and resid    62 and name N ) (segid A and resid    62 and name CA)
       (segid A and resid    62 and name C ) (segid A and resid    63 and name N )  1.00  124.390   20.64   2
assign (segid A and resid    62 and name C ) (segid A and resid    63 and name N )
       (segid A and resid    63 and name CA) (segid A and resid    63 and name C )  1.00  -118.440   41.72   2
assign (segid A and resid    63 and name N ) (segid A and resid    63 and name CA)
       (segid A and resid    63 and name C ) (segid A and resid    64 and name N )  1.00  135.750   26.54   2
assign (segid A and resid    63 and name C ) (segid A and resid    64 and name N )
       (segid A and resid    64 and name CA) (segid A and resid    64 and name C )  1.00  -96.660   29.9   2
assign (segid A and resid    64 and name N ) (segid A and resid    64 and name CA)
       (segid A and resid    64 and name C ) (segid A and resid    65 and name N )  1.00  131.160   18.92   2
assign (segid A and resid    64 and name C ) (segid A and resid    65 and name N )
       (segid A and resid    65 and name CA) (segid A and resid    65 and name C )  1.00  -104.440   46.12   2
assign (segid A and resid    65 and name N ) (segid A and resid    65 and name CA)
       (segid A and resid    65 and name C ) (segid A and resid    66 and name N )  1.00  131.830   38.2   2
assign (segid A and resid    67 and name C ) (segid A and resid    68 and name N )
       (segid A and resid    68 and name CA) (segid A and resid    68 and name C )  1.00  -74.010   24.9   2
assign (segid A and resid    68 and name N ) (segid A and resid    68 and name CA)
       (segid A and resid    68 and name C ) (segid A and resid    69 and name N )  1.00  -16.070   27.8   2
assign (segid A and resid    70 and name C ) (segid A and resid    71 and name N )
       (segid A and resid    71 and name CA) (segid A and resid    71 and name C )  1.00  -59.150   12.56   2
assign (segid A and resid    71 and name N ) (segid A and resid    71 and name CA)
       (segid A and resid    71 and name C ) (segid A and resid    72 and name N )  1.00  -37.900   29.34   2
assign (segid A and resid    71 and name C ) (segid A and resid    72 and name N )
       (segid A and resid    72 and name CA) (segid A and resid    72 and name C )  1.00  -60.070   12.56   2
assign (segid A and resid    72 and name N ) (segid A and resid    72 and name CA)
       (segid A and resid    72 and name C ) (segid A and resid    73 and name N )  1.00  -36.330   17.68   2
assign (segid A and resid    73 and name C ) (segid A and resid    74 and name N )
       (segid A and resid    74 and name CA) (segid A and resid    74 and name C )  1.00  -62.420   13.9   2
assign (segid A and resid    74 and name N ) (segid A and resid    74 and name CA)
       (segid A and resid    74 and name C ) (segid A and resid    75 and name N )  1.00  -40.630   11.68   2
assign (segid A and resid    74 and name C ) (segid A and resid    75 and name N )
       (segid A and resid    75 and name CA) (segid A and resid    75 and name C )  1.00  -62.690   14.16   2
assign (segid A and resid    75 and name N ) (segid A and resid    75 and name CA)
       (segid A and resid    75 and name C ) (segid A and resid    76 and name N )  1.00  -28.210   20.92   2
assign (segid A and resid    79 and name C ) (segid A and resid    80 and name N )
       (segid A and resid    80 and name CA) (segid A and resid    80 and name C )  1.00  -107.610   27.58   2
assign (segid A and resid    80 and name N ) (segid A and resid    80 and name CA)
       (segid A and resid    80 and name C ) (segid A and resid    81 and name N )  1.00  137.840   49.14   2
assign (segid A and resid    84 and name C ) (segid A and resid    85 and name N )
       (segid A and resid    85 and name CA) (segid A and resid    85 and name C )  1.00  -139.880   24.06   2
assign (segid A and resid    85 and name N ) (segid A and resid    85 and name CA)
       (segid A and resid    85 and name C ) (segid A and resid    86 and name N )  1.00  153.580   22.34   2
assign (segid A and resid    92 and name C ) (segid A and resid    93 and name N )
       (segid A and resid    93 and name CA) (segid A and resid    93 and name C )  1.00  -64.830   9.44   2
assign (segid A and resid    93 and name N ) (segid A and resid    93 and name CA)
       (segid A and resid    93 and name C ) (segid A and resid    94 and name N )  1.00  -40.910   12.58   2
assign (segid A and resid    94 and name C ) (segid A and resid    95 and name N )
       (segid A and resid    95 and name CA) (segid A and resid    95 and name C )  1.00  -65.650   10.94   2
assign (segid A and resid    95 and name N ) (segid A and resid    95 and name CA)
       (segid A and resid    95 and name C ) (segid A and resid    96 and name N )  1.00  -33.430   29.76   2
assign (segid A and resid    95 and name C ) (segid A and resid    96 and name N )
       (segid A and resid    96 and name CA) (segid A and resid    96 and name C )  1.00  -63.400   11.2   2
assign (segid A and resid    96 and name N ) (segid A and resid    96 and name CA)
       (segid A and resid    96 and name C ) (segid A and resid    97 and name N )  1.00  -39.480   9.72   2
assign (segid A and resid    96 and name C ) (segid A and resid    97 and name N )
       (segid A and resid    97 and name CA) (segid A and resid    97 and name C )  1.00  -63.710   13.72   2
assign (segid A and resid    97 and name N ) (segid A and resid    97 and name CA)
       (segid A and resid    97 and name C ) (segid A and resid    98 and name N )  1.00  -42.650   19.8   2
assign (segid A and resid    97 and name C ) (segid A and resid    98 and name N )
       (segid A and resid    98 and name CA) (segid A and resid    98 and name C )  1.00  -61.340   12.88   2
assign (segid A and resid    98 and name N ) (segid A and resid    98 and name CA)
       (segid A and resid    98 and name C ) (segid A and resid    99 and name N )  1.00  -44.360   14.2   2
assign (segid A and resid    99 and name C ) (segid A and resid    100 and name N )
       (segid A and resid    100 and name CA) (segid A and resid    100 and name C )  1.00  -64.760   9.66   2
assign (segid A and resid    100 and name N ) (segid A and resid    100 and name CA)
       (segid A and resid    100 and name C ) (segid A and resid    101 and name N )  1.00  -42.200   16.76   2
assign (segid A and resid    100 and name C ) (segid A and resid    101 and name N )
       (segid A and resid    101 and name CA) (segid A and resid    101 and name C )  1.00  -63.610   7.7   2
assign (segid A and resid    101 and name N ) (segid A and resid    101 and name CA)
       (segid A and resid    101 and name C ) (segid A and resid    102 and name N )  1.00  -45.220   8.42   2
assign (segid A and resid    101 and name C ) (segid A and resid    102 and name N )
       (segid A and resid    102 and name CA) (segid A and resid    102 and name C )  1.00  -61.570   11.12   2
assign (segid A and resid    102 and name N ) (segid A and resid    102 and name CA)
       (segid A and resid    102 and name C ) (segid A and resid    103 and name N )  1.00  -40.350   13.82   2
assign (segid A and resid    102 and name C ) (segid A and resid    103 and name N )
       (segid A and resid    103 and name CA) (segid A and resid    103 and name C )  1.00  -62.670   11.34   2
assign (segid A and resid    103 and name N ) (segid A and resid    103 and name CA)
       (segid A and resid    103 and name C ) (segid A and resid    104 and name N )  1.00  -37.580   9.78   2
assign (segid A and resid    103 and name C ) (segid A and resid    104 and name N )
       (segid A and resid    104 and name CA) (segid A and resid    104 and name C )  1.00  -66.570   11.24   2
assign (segid A and resid    104 and name N ) (segid A and resid    104 and name CA)
       (segid A and resid    104 and name C ) (segid A and resid    105 and name N )  1.00  -34.520   23.56   2
assign (segid A and resid    104 and name C ) (segid A and resid    105 and name N )
       (segid A and resid    105 and name CA) (segid A and resid    105 and name C )  1.00  -80.580   31.74   2
assign (segid A and resid    105 and name N ) (segid A and resid    105 and name CA)
       (segid A and resid    105 and name C ) (segid A and resid    106 and name N )  1.00  -11.590   45.86   2
assign (segid A and resid    108 and name C ) (segid A and resid    109 and name N )
       (segid A and resid    109 and name CA) (segid A and resid    109 and name C )  1.00  -104.010   32.26   2
assign (segid A and resid    109 and name N ) (segid A and resid    109 and name CA)
       (segid A and resid    109 and name C ) (segid A and resid    110 and name N )  1.00  125.170   25.16   2
assign (segid A and resid    109 and name C ) (segid A and resid    110 and name N )
       (segid A and resid    110 and name CA) (segid A and resid    110 and name C )  1.00  -106.490   26.9   2
assign (segid A and resid    110 and name N ) (segid A and resid    110 and name CA)
       (segid A and resid    110 and name C ) (segid A and resid    111 and name N )  1.00  128.780   19.48   2
assign (segid A and resid    110 and name C ) (segid A and resid    111 and name N )
       (segid A and resid    111 and name CA) (segid A and resid    111 and name C )  1.00  -113.870   21.18   2
assign (segid A and resid    111 and name N ) (segid A and resid    111 and name CA)
       (segid A and resid    111 and name C ) (segid A and resid    112 and name N )  1.00  140.420   28.08   2
assign (segid A and resid    111 and name C ) (segid A and resid    112 and name N )
       (segid A and resid    112 and name CA) (segid A and resid    112 and name C )  1.00  -123.590   33.3   2
assign (segid A and resid    112 and name N ) (segid A and resid    112 and name CA)
       (segid A and resid    112 and name C ) (segid A and resid    113 and name N )  1.00  138.560   26.48   2
assign (segid A and resid    112 and name C ) (segid A and resid    113 and name N )
       (segid A and resid    113 and name CA) (segid A and resid    113 and name C )  1.00  -117.780   34.88   2
assign (segid A and resid    113 and name N ) (segid A and resid    113 and name CA)
       (segid A and resid    113 and name C ) (segid A and resid    114 and name N )  1.00  121.460   22.02   2
assign (segid A and resid    116 and name C ) (segid A and resid    117 and name N )
       (segid A and resid    117 and name CA) (segid A and resid    117 and name C )  1.00  -64.980   14.14   2
assign (segid A and resid    117 and name N ) (segid A and resid    117 and name CA)
       (segid A and resid    117 and name C ) (segid A and resid    118 and name N )  1.00  -39.380   15.9   2
assign (segid A and resid    117 and name C ) (segid A and resid    118 and name N )
       (segid A and resid    118 and name CA) (segid A and resid    118 and name C )  1.00  -61.820   8.5   2
assign (segid A and resid    118 and name N ) (segid A and resid    118 and name CA)
       (segid A and resid    118 and name C ) (segid A and resid    119 and name N )  1.00  -39.250   15.92   2
assign (segid A and resid    118 and name C ) (segid A and resid    119 and name N )
       (segid A and resid    119 and name CA) (segid A and resid    119 and name C )  1.00  -64.800   8.8   2
assign (segid A and resid    119 and name N ) (segid A and resid    119 and name CA)
       (segid A and resid    119 and name C ) (segid A and resid    120 and name N )  1.00  -42.860   9.32   2
assign (segid A and resid    119 and name C ) (segid A and resid    120 and name N )
       (segid A and resid    120 and name CA) (segid A and resid    120 and name C )  1.00  -63.390   14.84   2
assign (segid A and resid    120 and name N ) (segid A and resid    120 and name CA)
       (segid A and resid    120 and name C ) (segid A and resid    121 and name N )  1.00  -44.380   8.84   2
assign (segid A and resid    120 and name C ) (segid A and resid    121 and name N )
       (segid A and resid    121 and name CA) (segid A and resid    121 and name C )  1.00  -63.170   10.16   2
assign (segid A and resid    121 and name N ) (segid A and resid    121 and name CA)
       (segid A and resid    121 and name C ) (segid A and resid    122 and name N )  1.00  -41.280   7.3   2
assign (segid A and resid    121 and name C ) (segid A and resid    122 and name N )
       (segid A and resid    122 and name CA) (segid A and resid    122 and name C )  1.00  -61.260   13.48   2
assign (segid A and resid    122 and name N ) (segid A and resid    122 and name CA)
       (segid A and resid    122 and name C ) (segid A and resid    123 and name N )  1.00  -41.330   7.78   2
assign (segid A and resid    122 and name C ) (segid A and resid    123 and name N )
       (segid A and resid    123 and name CA) (segid A and resid    123 and name C )  1.00  -96.520   28.72   2
assign (segid A and resid    123 and name N ) (segid A and resid    123 and name CA)
       (segid A and resid    123 and name C ) (segid A and resid    124 and name N )  1.00  3.870   25.2   2
assign (segid A and resid    124 and name C ) (segid A and resid    125 and name N )
       (segid A and resid    125 and name CA) (segid A and resid    125 and name C )  1.00  -101.350   57.48   2
assign (segid A and resid    125 and name N ) (segid A and resid    125 and name CA)
       (segid A and resid    125 and name C ) (segid A and resid    126 and name N )  1.00  131.370   49.94   2
assign (segid A and resid    127 and name C ) (segid A and resid    128 and name N )
       (segid A and resid    128 and name CA) (segid A and resid    128 and name C )  1.00  -117.070   55.22   2
assign (segid A and resid    128 and name N ) (segid A and resid    128 and name CA)
       (segid A and resid    128 and name C ) (segid A and resid    129 and name N )  1.00  154.430   52.04   2
assign (segid B and resid    2 and name C ) (segid B and resid    3 and name N )
       (segid B and resid    3 and name CA) (segid B and resid    3 and name C )  1.00  -89.090   23.48   2
assign (segid B and resid    3 and name N ) (segid B and resid    3 and name CA)
       (segid B and resid    3 and name C ) (segid B and resid    4 and name N )  1.00  4.420   26.44   2
assign (segid B and resid    4 and name C ) (segid B and resid    5 and name N )
       (segid B and resid    5 and name CA) (segid B and resid    5 and name C )  1.00  -63.040   13.56   2
assign (segid B and resid    5 and name N ) (segid B and resid    5 and name CA)
       (segid B and resid    5 and name C ) (segid B and resid    6 and name N )  1.00  -46.060   12.3   2
assign (segid B and resid    5 and name C ) (segid B and resid    6 and name N )
       (segid B and resid    6 and name CA) (segid B and resid    6 and name C )  1.00  -62.260   14.66   2
assign (segid B and resid    6 and name N ) (segid B and resid    6 and name CA)
       (segid B and resid    6 and name C ) (segid B and resid    7 and name N )  1.00  -42.330   14.8   2
assign (segid B and resid    6 and name C ) (segid B and resid    7 and name N )
       (segid B and resid    7 and name CA) (segid B and resid    7 and name C )  1.00  -66.970   23.98   2
assign (segid B and resid    7 and name N ) (segid B and resid    7 and name CA)
       (segid B and resid    7 and name C ) (segid B and resid    8 and name N )  1.00  -39.720   17.02   2
assign (segid B and resid    7 and name C ) (segid B and resid    8 and name N )
       (segid B and resid    8 and name CA) (segid B and resid    8 and name C )  1.00  -62.950   8.16   2
assign (segid B and resid    8 and name N ) (segid B and resid    8 and name CA)
       (segid B and resid    8 and name C ) (segid B and resid    9 and name N )  1.00  -43.150   14.16   2
assign (segid B and resid    8 and name C ) (segid B and resid    9 and name N )
       (segid B and resid    9 and name CA) (segid B and resid    9 and name C )  1.00  -62.830   9.62   2
assign (segid B and resid    9 and name N ) (segid B and resid    9 and name CA)
       (segid B and resid    9 and name C ) (segid B and resid    10 and name N )  1.00  -42.630   14.88   2
assign (segid B and resid    9 and name C ) (segid B and resid    10 and name N )
       (segid B and resid    10 and name CA) (segid B and resid    10 and name C )  1.00  -65.250   8.7   2
assign (segid B and resid    10 and name N ) (segid B and resid    10 and name CA)
       (segid B and resid    10 and name C ) (segid B and resid    11 and name N )  1.00  -39.260   17.66   2
assign (segid B and resid    10 and name C ) (segid B and resid    11 and name N )
       (segid B and resid    11 and name CA) (segid B and resid    11 and name C )  1.00  -61.240   8.36   2
assign (segid B and resid    11 and name N ) (segid B and resid    11 and name CA)
       (segid B and resid    11 and name C ) (segid B and resid    12 and name N )  1.00  -39.160   9.52   2
assign (segid B and resid    11 and name C ) (segid B and resid    12 and name N )
       (segid B and resid    12 and name CA) (segid B and resid    12 and name C )  1.00  -64.700   4.06   2
assign (segid B and resid    12 and name N ) (segid B and resid    12 and name CA)
       (segid B and resid    12 and name C ) (segid B and resid    13 and name N )  1.00  -42.510   13.86   2
assign (segid B and resid    12 and name C ) (segid B and resid    13 and name N )
       (segid B and resid    13 and name CA) (segid B and resid    13 and name C )  1.00  -64.660   9.5   2
assign (segid B and resid    13 and name N ) (segid B and resid    13 and name CA)
       (segid B and resid    13 and name C ) (segid B and resid    14 and name N )  1.00  -39.700   9.48   2
assign (segid B and resid    13 and name C ) (segid B and resid    14 and name N )
       (segid B and resid    14 and name CA) (segid B and resid    14 and name C )  1.00  -64.000   6.8   2
assign (segid B and resid    14 and name N ) (segid B and resid    14 and name CA)
       (segid B and resid    14 and name C ) (segid B and resid    15 and name N )  1.00  -40.160   8.62   2
assign (segid B and resid    14 and name C ) (segid B and resid    15 and name N )
       (segid B and resid    15 and name CA) (segid B and resid    15 and name C )  1.00  -65.040   9.28   2
assign (segid B and resid    15 and name N ) (segid B and resid    15 and name CA)
       (segid B and resid    15 and name C ) (segid B and resid    16 and name N )  1.00  -44.630   9.7   2
assign (segid B and resid    15 and name C ) (segid B and resid    16 and name N )
       (segid B and resid    16 and name CA) (segid B and resid    16 and name C )  1.00  -58.540   12.32   2
assign (segid B and resid    16 and name N ) (segid B and resid    16 and name CA)
       (segid B and resid    16 and name C ) (segid B and resid    17 and name N )  1.00  -42.330   13.7   2
assign (segid B and resid    16 and name C ) (segid B and resid    17 and name N )
       (segid B and resid    17 and name CA) (segid B and resid    17 and name C )  1.00  -60.230   10.32   2
assign (segid B and resid    17 and name N ) (segid B and resid    17 and name CA)
       (segid B and resid    17 and name C ) (segid B and resid    18 and name N )  1.00  -42.970   16.2   2
assign (segid B and resid    17 and name C ) (segid B and resid    18 and name N )
       (segid B and resid    18 and name CA) (segid B and resid    18 and name C )  1.00  -63.000   10.54   2
assign (segid B and resid    18 and name N ) (segid B and resid    18 and name CA)
       (segid B and resid    18 and name C ) (segid B and resid    19 and name N )  1.00  -42.700   9.24   2
assign (segid B and resid    18 and name C ) (segid B and resid    19 and name N )
       (segid B and resid    19 and name CA) (segid B and resid    19 and name C )  1.00  -63.060   10.08   2
assign (segid B and resid    19 and name N ) (segid B and resid    19 and name CA)
       (segid B and resid    19 and name C ) (segid B and resid    20 and name N )  1.00  -40.620   14.62   2
assign (segid B and resid    19 and name C ) (segid B and resid    20 and name N )
       (segid B and resid    20 and name CA) (segid B and resid    20 and name C )  1.00  -69.870   36.4   2
assign (segid B and resid    20 and name N ) (segid B and resid    20 and name CA)
       (segid B and resid    20 and name C ) (segid B and resid    21 and name N )  1.00  -26.400   41.5   2
assign (segid B and resid    21 and name C ) (segid B and resid    22 and name N )
       (segid B and resid    22 and name CA) (segid B and resid    22 and name C )  1.00  -109.730   54.1   2
assign (segid B and resid    22 and name N ) (segid B and resid    22 and name CA)
       (segid B and resid    22 and name C ) (segid B and resid    23 and name N )  1.00  128.880   60.64   2
assign (segid B and resid    22 and name C ) (segid B and resid    23 and name N )
       (segid B and resid    23 and name CA) (segid B and resid    23 and name C )  1.00  -99.770   35.64   2
assign (segid B and resid    23 and name N ) (segid B and resid    23 and name CA)
       (segid B and resid    23 and name C ) (segid B and resid    24 and name N )  1.00  117.650   21.9   2
assign (segid B and resid    23 and name C ) (segid B and resid    24 and name N )
       (segid B and resid    24 and name CA) (segid B and resid    24 and name C )  1.00  -101.720   35.66   2
assign (segid B and resid    24 and name N ) (segid B and resid    24 and name CA)
       (segid B and resid    24 and name C ) (segid B and resid    25 and name N )  1.00  127.900   26.94   2
assign (segid B and resid    24 and name C ) (segid B and resid    25 and name N )
       (segid B and resid    25 and name CA) (segid B and resid    25 and name C )  1.00  -134.110   21.56   2
assign (segid B and resid    25 and name N ) (segid B and resid    25 and name CA)
       (segid B and resid    25 and name C ) (segid B and resid    26 and name N )  1.00  153.640   36.72   2
assign (segid B and resid    25 and name C ) (segid B and resid    26 and name N )
       (segid B and resid    26 and name CA) (segid B and resid    26 and name C )  1.00  -110.590   54.94   2
assign (segid B and resid    26 and name N ) (segid B and resid    26 and name CA)
       (segid B and resid    26 and name C ) (segid B and resid    27 and name N )  1.00  128.290   61.36   2
assign (segid B and resid    27 and name C ) (segid B and resid    28 and name N )
       (segid B and resid    28 and name CA) (segid B and resid    28 and name C )  1.00  -60.060   13   2
assign (segid B and resid    28 and name N ) (segid B and resid    28 and name CA)
       (segid B and resid    28 and name C ) (segid B and resid    29 and name N )  1.00  -44.120   12.68   2
assign (segid B and resid    28 and name C ) (segid B and resid    29 and name N )
       (segid B and resid    29 and name CA) (segid B and resid    29 and name C )  1.00  -63.360   14.6   2
assign (segid B and resid    29 and name N ) (segid B and resid    29 and name CA)
       (segid B and resid    29 and name C ) (segid B and resid    30 and name N )  1.00  -41.260   11.12   2
assign (segid B and resid    29 and name C ) (segid B and resid    30 and name N )
       (segid B and resid    30 and name CA) (segid B and resid    30 and name C )  1.00  -63.960   10.36   2
assign (segid B and resid    30 and name N ) (segid B and resid    30 and name CA)
       (segid B and resid    30 and name C ) (segid B and resid    31 and name N )  1.00  -38.740   14.16   2
assign (segid B and resid    30 and name C ) (segid B and resid    31 and name N )
       (segid B and resid    31 and name CA) (segid B and resid    31 and name C )  1.00  -59.010   15.02   2
assign (segid B and resid    31 and name N ) (segid B and resid    31 and name CA)
       (segid B and resid    31 and name C ) (segid B and resid    32 and name N )  1.00  -42.610   14.5   2
assign (segid B and resid    31 and name C ) (segid B and resid    32 and name N )
       (segid B and resid    32 and name CA) (segid B and resid    32 and name C )  1.00  -61.280   11.8   2
assign (segid B and resid    32 and name N ) (segid B and resid    32 and name CA)
       (segid B and resid    32 and name C ) (segid B and resid    33 and name N )  1.00  -43.230   9.8   2
assign (segid B and resid    32 and name C ) (segid B and resid    33 and name N )
       (segid B and resid    33 and name CA) (segid B and resid    33 and name C )  1.00  -64.070   9.7   2
assign (segid B and resid    33 and name N ) (segid B and resid    33 and name CA)
       (segid B and resid    33 and name C ) (segid B and resid    34 and name N )  1.00  -41.470   13.14   2
assign (segid B and resid    33 and name C ) (segid B and resid    34 and name N )
       (segid B and resid    34 and name CA) (segid B and resid    34 and name C )  1.00  -63.170   14.5   2
assign (segid B and resid    34 and name N ) (segid B and resid    34 and name CA)
       (segid B and resid    34 and name C ) (segid B and resid    35 and name N )  1.00  -40.560   14.72   2
assign (segid B and resid    34 and name C ) (segid B and resid    35 and name N )
       (segid B and resid    35 and name CA) (segid B and resid    35 and name C )  1.00  -60.440   15.12   2
assign (segid B and resid    35 and name N ) (segid B and resid    35 and name CA)
       (segid B and resid    35 and name C ) (segid B and resid    36 and name N )  1.00  -36.390   19.02   2
assign (segid B and resid    35 and name C ) (segid B and resid    36 and name N )
       (segid B and resid    36 and name CA) (segid B and resid    36 and name C )  1.00  -74.500   30.2   2
assign (segid B and resid    36 and name N ) (segid B and resid    36 and name CA)
       (segid B and resid    36 and name C ) (segid B and resid    37 and name N )  1.00  -19.450   30.98   2
assign (segid B and resid    36 and name C ) (segid B and resid    37 and name N )
       (segid B and resid    37 and name CA) (segid B and resid    37 and name C )  1.00  -116.620   53.02   2
assign (segid B and resid    37 and name N ) (segid B and resid    37 and name CA)
       (segid B and resid    37 and name C ) (segid B and resid    38 and name N )  1.00  128.220   59.64   2
assign (segid B and resid    39 and name C ) (segid B and resid    40 and name N )
       (segid B and resid    40 and name CA) (segid B and resid    40 and name C )  1.00  -88.590   46.82   2
assign (segid B and resid    40 and name N ) (segid B and resid    40 and name CA)
       (segid B and resid    40 and name C ) (segid B and resid    41 and name N )  1.00  126.660   46.26   2
assign (segid B and resid    40 and name C ) (segid B and resid    41 and name N )
       (segid B and resid    41 and name CA) (segid B and resid    41 and name C )  1.00  -104.500   17.44   2
assign (segid B and resid    41 and name N ) (segid B and resid    41 and name CA)
       (segid B and resid    41 and name C ) (segid B and resid    42 and name N )  1.00  123.950   20.62   2
assign (segid B and resid    41 and name C ) (segid B and resid    42 and name N )
       (segid B and resid    42 and name CA) (segid B and resid    42 and name C )  1.00  -102.790   27.6   2
assign (segid B and resid    42 and name N ) (segid B and resid    42 and name CA)
       (segid B and resid    42 and name C ) (segid B and resid    43 and name N )  1.00  123.890   14.52   2
assign (segid B and resid    42 and name C ) (segid B and resid    43 and name N )
       (segid B and resid    43 and name CA) (segid B and resid    43 and name C )  1.00  -111.340   30.12   2
assign (segid B and resid    43 and name N ) (segid B and resid    43 and name CA)
       (segid B and resid    43 and name C ) (segid B and resid    44 and name N )  1.00  124.420   27   2
assign (segid B and resid    43 and name C ) (segid B and resid    44 and name N )
       (segid B and resid    44 and name CA) (segid B and resid    44 and name C )  1.00  -105.640   46.7   2
assign (segid B and resid    44 and name N ) (segid B and resid    44 and name CA)
       (segid B and resid    44 and name C ) (segid B and resid    45 and name N )  1.00  137.250   36.52   2
assign (segid B and resid    44 and name C ) (segid B and resid    45 and name N )
       (segid B and resid    45 and name CA) (segid B and resid    45 and name C )  1.00  -99.520   31.52   2
assign (segid B and resid    45 and name N ) (segid B and resid    45 and name CA)
       (segid B and resid    45 and name C ) (segid B and resid    46 and name N )  1.00  136.730   35.62   2
assign (segid B and resid    45 and name C ) (segid B and resid    46 and name N )
       (segid B and resid    46 and name CA) (segid B and resid    46 and name C )  1.00  -119.030   78.66   2
assign (segid B and resid    46 and name N ) (segid B and resid    46 and name CA)
       (segid B and resid    46 and name C ) (segid B and resid    47 and name N )  1.00  143.450   55.76   2
assign (segid B and resid    47 and name C ) (segid B and resid    48 and name N )
       (segid B and resid    48 and name CA) (segid B and resid    48 and name C )  1.00  -61.690   17.76   2
assign (segid B and resid    48 and name N ) (segid B and resid    48 and name CA)
       (segid B and resid    48 and name C ) (segid B and resid    49 and name N )  1.00  -36.330   16.32   2
assign (segid B and resid    48 and name C ) (segid B and resid    49 and name N )
       (segid B and resid    49 and name CA) (segid B and resid    49 and name C )  1.00  -62.720   15.14   2
assign (segid B and resid    49 and name N ) (segid B and resid    49 and name CA)
       (segid B and resid    49 and name C ) (segid B and resid    50 and name N )  1.00  -44.090   11.4   2
assign (segid B and resid    49 and name C ) (segid B and resid    50 and name N )
       (segid B and resid    50 and name CA) (segid B and resid    50 and name C )  1.00  -65.630   7.36   2
assign (segid B and resid    50 and name N ) (segid B and resid    50 and name CA)
       (segid B and resid    50 and name C ) (segid B and resid    51 and name N )  1.00  -41.350   11.58   2
assign (segid B and resid    50 and name C ) (segid B and resid    51 and name N )
       (segid B and resid    51 and name CA) (segid B and resid    51 and name C )  1.00  -64.160   8.22   2
assign (segid B and resid    51 and name N ) (segid B and resid    51 and name CA)
       (segid B and resid    51 and name C ) (segid B and resid    52 and name N )  1.00  -40.210   5.14   2
assign (segid B and resid    51 and name C ) (segid B and resid    52 and name N )
       (segid B and resid    52 and name CA) (segid B and resid    52 and name C )  1.00  -63.300   15.32   2
assign (segid B and resid    52 and name N ) (segid B and resid    52 and name CA)
       (segid B and resid    52 and name C ) (segid B and resid    53 and name N )  1.00  -39.500   11.44   2
assign (segid B and resid    52 and name C ) (segid B and resid    53 and name N )
       (segid B and resid    53 and name CA) (segid B and resid    53 and name C )  1.00  -68.430   28.48   2
assign (segid B and resid    53 and name N ) (segid B and resid    53 and name CA)
       (segid B and resid    53 and name C ) (segid B and resid    54 and name N )  1.00  -29.850   17.8   2
assign (segid B and resid    53 and name C ) (segid B and resid    54 and name N )
       (segid B and resid    54 and name CA) (segid B and resid    54 and name C )  1.00  -94.520   27.58   2
assign (segid B and resid    54 and name N ) (segid B and resid    54 and name CA)
       (segid B and resid    54 and name C ) (segid B and resid    55 and name N )  1.00  -1.110   31.46   2
assign (segid B and resid    55 and name C ) (segid B and resid    56 and name N )
       (segid B and resid    56 and name CA) (segid B and resid    56 and name C )  1.00  -117.350   66.92   2
assign (segid B and resid    56 and name N ) (segid B and resid    56 and name CA)
       (segid B and resid    56 and name C ) (segid B and resid    57 and name N )  1.00  152.200   30.54   2
assign (segid B and resid    58 and name C ) (segid B and resid    59 and name N )
       (segid B and resid    59 and name CA) (segid B and resid    59 and name C )  1.00  -122.660   47.62   2
assign (segid B and resid    59 and name N ) (segid B and resid    59 and name CA)
       (segid B and resid    59 and name C ) (segid B and resid    60 and name N )  1.00  154.150   27.68   2
assign (segid B and resid    60 and name C ) (segid B and resid    61 and name N )
       (segid B and resid    61 and name CA) (segid B and resid    61 and name C )  1.00  -98.400   38.74   2
assign (segid B and resid    61 and name N ) (segid B and resid    61 and name CA)
       (segid B and resid    61 and name C ) (segid B and resid    62 and name N )  1.00  115.040   54.98   2
assign (segid B and resid    61 and name C ) (segid B and resid    62 and name N )
       (segid B and resid    62 and name CA) (segid B and resid    62 and name C )  1.00  -100.030   37.34   2
assign (segid B and resid    62 and name N ) (segid B and resid    62 and name CA)
       (segid B and resid    62 and name C ) (segid B and resid    63 and name N )  1.00  124.390   20.64   2
assign (segid B and resid    62 and name C ) (segid B and resid    63 and name N )
       (segid B and resid    63 and name CA) (segid B and resid    63 and name C )  1.00  -118.440   41.72   2
assign (segid B and resid    63 and name N ) (segid B and resid    63 and name CA)
       (segid B and resid    63 and name C ) (segid B and resid    64 and name N )  1.00  135.750   26.54   2
assign (segid B and resid    63 and name C ) (segid B and resid    64 and name N )
       (segid B and resid    64 and name CA) (segid B and resid    64 and name C )  1.00  -96.660   29.9   2
assign (segid B and resid    64 and name N ) (segid B and resid    64 and name CA)
       (segid B and resid    64 and name C ) (segid B and resid    65 and name N )  1.00  131.160   18.92   2
assign (segid B and resid    64 and name C ) (segid B and resid    65 and name N )
       (segid B and resid    65 and name CA) (segid B and resid    65 and name C )  1.00  -104.440   46.12   2
assign (segid B and resid    65 and name N ) (segid B and resid    65 and name CA)
       (segid B and resid    65 and name C ) (segid B and resid    66 and name N )  1.00  131.830   38.2   2
assign (segid B and resid    67 and name C ) (segid B and resid    68 and name N )
       (segid B and resid    68 and name CA) (segid B and resid    68 and name C )  1.00  -74.010   24.9   2
assign (segid B and resid    68 and name N ) (segid B and resid    68 and name CA)
       (segid B and resid    68 and name C ) (segid B and resid    69 and name N )  1.00  -16.070   27.8   2
assign (segid B and resid    70 and name C ) (segid B and resid    71 and name N )
       (segid B and resid    71 and name CA) (segid B and resid    71 and name C )  1.00  -59.150   12.56   2
assign (segid B and resid    71 and name N ) (segid B and resid    71 and name CA)
       (segid B and resid    71 and name C ) (segid B and resid    72 and name N )  1.00  -37.900   29.34   2
assign (segid B and resid    71 and name C ) (segid B and resid    72 and name N )
       (segid B and resid    72 and name CA) (segid B and resid    72 and name C )  1.00  -60.070   12.56   2
assign (segid B and resid    72 and name N ) (segid B and resid    72 and name CA)
       (segid B and resid    72 and name C ) (segid B and resid    73 and name N )  1.00  -36.330   17.68   2
assign (segid B and resid    73 and name C ) (segid B and resid    74 and name N )
       (segid B and resid    74 and name CA) (segid B and resid    74 and name C )  1.00  -62.420   13.9   2
assign (segid B and resid    74 and name N ) (segid B and resid    74 and name CA)
       (segid B and resid    74 and name C ) (segid B and resid    75 and name N )  1.00  -40.630   11.68   2
assign (segid B and resid    74 and name C ) (segid B and resid    75 and name N )
       (segid B and resid    75 and name CA) (segid B and resid    75 and name C )  1.00  -62.690   14.16   2
assign (segid B and resid    75 and name N ) (segid B and resid    75 and name CA)
       (segid B and resid    75 and name C ) (segid B and resid    76 and name N )  1.00  -28.210   20.92   2
assign (segid B and resid    79 and name C ) (segid B and resid    80 and name N )
       (segid B and resid    80 and name CA) (segid B and resid    80 and name C )  1.00  -107.610   27.58   2
assign (segid B and resid    80 and name N ) (segid B and resid    80 and name CA)
       (segid B and resid    80 and name C ) (segid B and resid    81 and name N )  1.00  137.840   49.14   2
assign (segid B and resid    84 and name C ) (segid B and resid    85 and name N )
       (segid B and resid    85 and name CA) (segid B and resid    85 and name C )  1.00  -139.880   24.06   2
assign (segid B and resid    85 and name N ) (segid B and resid    85 and name CA)
       (segid B and resid    85 and name C ) (segid B and resid    86 and name N )  1.00  153.580   22.34   2
assign (segid B and resid    92 and name C ) (segid B and resid    93 and name N )
       (segid B and resid    93 and name CA) (segid B and resid    93 and name C )  1.00  -64.830   9.44   2
assign (segid B and resid    93 and name N ) (segid B and resid    93 and name CA)
       (segid B and resid    93 and name C ) (segid B and resid    94 and name N )  1.00  -40.910   12.58   2
assign (segid B and resid    94 and name C ) (segid B and resid    95 and name N )
       (segid B and resid    95 and name CA) (segid B and resid    95 and name C )  1.00  -65.650   10.94   2
assign (segid B and resid    95 and name N ) (segid B and resid    95 and name CA)
       (segid B and resid    95 and name C ) (segid B and resid    96 and name N )  1.00  -33.430   29.76   2
assign (segid B and resid    95 and name C ) (segid B and resid    96 and name N )
       (segid B and resid    96 and name CA) (segid B and resid    96 and name C )  1.00  -63.400   11.2   2
assign (segid B and resid    96 and name N ) (segid B and resid    96 and name CA)
       (segid B and resid    96 and name C ) (segid B and resid    97 and name N )  1.00  -39.480   9.72   2
assign (segid B and resid    96 and name C ) (segid B and resid    97 and name N )
       (segid B and resid    97 and name CA) (segid B and resid    97 and name C )  1.00  -63.710   13.72   2
assign (segid B and resid    97 and name N ) (segid B and resid    97 and name CA)
       (segid B and resid    97 and name C ) (segid B and resid    98 and name N )  1.00  -42.650   19.8   2
assign (segid B and resid    97 and name C ) (segid B and resid    98 and name N )
       (segid B and resid    98 and name CA) (segid B and resid    98 and name C )  1.00  -61.340   12.88   2
assign (segid B and resid    98 and name N ) (segid B and resid    98 and name CA)
       (segid B and resid    98 and name C ) (segid B and resid    99 and name N )  1.00  -44.360   14.2   2
assign (segid B and resid    99 and name C ) (segid B and resid    100 and name N )
       (segid B and resid    100 and name CA) (segid B and resid    100 and name C )  1.00  -64.760   9.66   2
assign (segid B and resid    100 and name N ) (segid B and resid    100 and name CA)
       (segid B and resid    100 and name C ) (segid B and resid    101 and name N )  1.00  -42.200   16.76   2
assign (segid B and resid    100 and name C ) (segid B and resid    101 and name N )
       (segid B and resid    101 and name CA) (segid B and resid    101 and name C )  1.00  -63.610   7.7   2
assign (segid B and resid    101 and name N ) (segid B and resid    101 and name CA)
       (segid B and resid    101 and name C ) (segid B and resid    102 and name N )  1.00  -45.220   8.42   2
assign (segid B and resid    101 and name C ) (segid B and resid    102 and name N )
       (segid B and resid    102 and name CA) (segid B and resid    102 and name C )  1.00  -61.570   11.12   2
assign (segid B and resid    102 and name N ) (segid B and resid    102 and name CA)
       (segid B and resid    102 and name C ) (segid B and resid    103 and name N )  1.00  -40.350   13.82   2
assign (segid B and resid    102 and name C ) (segid B and resid    103 and name N )
       (segid B and resid    103 and name CA) (segid B and resid    103 and name C )  1.00  -62.670   11.34   2
assign (segid B and resid    103 and name N ) (segid B and resid    103 and name CA)
       (segid B and resid    103 and name C ) (segid B and resid    104 and name N )  1.00  -37.580   9.78   2
assign (segid B and resid    103 and name C ) (segid B and resid    104 and name N )
       (segid B and resid    104 and name CA) (segid B and resid    104 and name C )  1.00  -66.570   11.24   2
assign (segid B and resid    104 and name N ) (segid B and resid    104 and name CA)
       (segid B and resid    104 and name C ) (segid B and resid    105 and name N )  1.00  -34.520   23.56   2
assign (segid B and resid    104 and name C ) (segid B and resid    105 and name N )
       (segid B and resid    105 and name CA) (segid B and resid    105 and name C )  1.00  -80.580   31.74   2
assign (segid B and resid    105 and name N ) (segid B and resid    105 and name CA)
       (segid B and resid    105 and name C ) (segid B and resid    106 and name N )  1.00  -11.590   45.86   2
assign (segid B and resid    108 and name C ) (segid B and resid    109 and name N )
       (segid B and resid    109 and name CA) (segid B and resid    109 and name C )  1.00  -104.010   32.26   2
assign (segid B and resid    109 and name N ) (segid B and resid    109 and name CA)
       (segid B and resid    109 and name C ) (segid B and resid    110 and name N )  1.00  125.170   25.16   2
assign (segid B and resid    109 and name C ) (segid B and resid    110 and name N )
       (segid B and resid    110 and name CA) (segid B and resid    110 and name C )  1.00  -106.490   26.9   2
assign (segid B and resid    110 and name N ) (segid B and resid    110 and name CA)
       (segid B and resid    110 and name C ) (segid B and resid    111 and name N )  1.00  128.780   19.48   2
assign (segid B and resid    110 and name C ) (segid B and resid    111 and name N )
       (segid B and resid    111 and name CA) (segid B and resid    111 and name C )  1.00  -113.870   21.18   2
assign (segid B and resid    111 and name N ) (segid B and resid    111 and name CA)
       (segid B and resid    111 and name C ) (segid B and resid    112 and name N )  1.00  140.420   28.08   2
assign (segid B and resid    111 and name C ) (segid B and resid    112 and name N )
       (segid B and resid    112 and name CA) (segid B and resid    112 and name C )  1.00  -123.590   33.3   2
assign (segid B and resid    112 and name N ) (segid B and resid    112 and name CA)
       (segid B and resid    112 and name C ) (segid B and resid    113 and name N )  1.00  138.560   26.48   2
assign (segid B and resid    112 and name C ) (segid B and resid    113 and name N )
       (segid B and resid    113 and name CA) (segid B and resid    113 and name C )  1.00  -117.780   34.88   2
assign (segid B and resid    113 and name N ) (segid B and resid    113 and name CA)
       (segid B and resid    113 and name C ) (segid B and resid    114 and name N )  1.00  121.460   22.02   2
assign (segid B and resid    116 and name C ) (segid B and resid    117 and name N )
       (segid B and resid    117 and name CA) (segid B and resid    117 and name C )  1.00  -64.980   14.14   2
assign (segid B and resid    117 and name N ) (segid B and resid    117 and name CA)
       (segid B and resid    117 and name C ) (segid B and resid    118 and name N )  1.00  -39.380   15.9   2
assign (segid B and resid    117 and name C ) (segid B and resid    118 and name N )
       (segid B and resid    118 and name CA) (segid B and resid    118 and name C )  1.00  -61.820   8.5   2
assign (segid B and resid    118 and name N ) (segid B and resid    118 and name CA)
       (segid B and resid    118 and name C ) (segid B and resid    119 and name N )  1.00  -39.250   15.92   2
assign (segid B and resid    118 and name C ) (segid B and resid    119 and name N )
       (segid B and resid    119 and name CA) (segid B and resid    119 and name C )  1.00  -64.800   8.8   2
assign (segid B and resid    119 and name N ) (segid B and resid    119 and name CA)
       (segid B and resid    119 and name C ) (segid B and resid    120 and name N )  1.00  -42.860   9.32   2
assign (segid B and resid    119 and name C ) (segid B and resid    120 and name N )
       (segid B and resid    120 and name CA) (segid B and resid    120 and name C )  1.00  -63.390   14.84   2
assign (segid B and resid    120 and name N ) (segid B and resid    120 and name CA)
       (segid B and resid    120 and name C ) (segid B and resid    121 and name N )  1.00  -44.380   8.84   2
assign (segid B and resid    120 and name C ) (segid B and resid    121 and name N )
       (segid B and resid    121 and name CA) (segid B and resid    121 and name C )  1.00  -63.170   10.16   2
assign (segid B and resid    121 and name N ) (segid B and resid    121 and name CA)
       (segid B and resid    121 and name C ) (segid B and resid    122 and name N )  1.00  -41.280   7.3   2
assign (segid B and resid    121 and name C ) (segid B and resid    122 and name N )
       (segid B and resid    122 and name CA) (segid B and resid    122 and name C )  1.00  -61.260   13.48   2
assign (segid B and resid    122 and name N ) (segid B and resid    122 and name CA)
       (segid B and resid    122 and name C ) (segid B and resid    123 and name N )  1.00  -41.330   7.78   2
assign (segid B and resid    122 and name C ) (segid B and resid    123 and name N )
       (segid B and resid    123 and name CA) (segid B and resid    123 and name C )  1.00  -96.520   28.72   2
assign (segid B and resid    123 and name N ) (segid B and resid    123 and name CA)
       (segid B and resid    123 and name C ) (segid B and resid    124 and name N )  1.00  3.870   25.2   2
assign (segid B and resid    124 and name C ) (segid B and resid    125 and name N )
       (segid B and resid    125 and name CA) (segid B and resid    125 and name C )  1.00  -101.350   57.48   2
assign (segid B and resid    125 and name N ) (segid B and resid    125 and name CA)
       (segid B and resid    125 and name C ) (segid B and resid    126 and name N )  1.00  131.370   49.94   2
assign (segid B and resid    127 and name C ) (segid B and resid    128 and name N )
       (segid B and resid    128 and name CA) (segid B and resid    128 and name C )  1.00  -117.070   55.22   2
assign (segid B and resid    128 and name N ) (segid B and resid    128 and name CA)
       (segid B and resid    128 and name C ) (segid B and resid    129 and name N )  1.00  154.430   52.04   2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           H1       ALA   1 -25.481 -11.644  14.222
    2   2H    ALA   1           H2       ALA   1 -24.135 -12.465  13.599
    3   3H    ALA   1           H3       ALA   1 -23.931 -11.283  14.804
    4    HA   ALA   1           HA       ALA   1 -23.968 -10.975  12.006
    5   1HB   ALA   1          1HB       ALA   1 -26.462 -10.468  12.976
    6   2HB   ALA   1          2HB       ALA   1 -25.706  -8.880  13.114
    7   3HB   ALA   1          3HB       ALA   1 -25.765  -9.697  11.551
    8    H    ASP   2           H        ASP   2 -22.056 -10.971  13.826
    9    HA   ASP   2           HA       ASP   2 -20.969  -8.318  13.849
   10   1HB   ASP   2          2HB       ASP   2 -20.806  -8.253  16.369
   11   2HB   ASP   2          3HB       ASP   2 -22.432  -8.030  15.739
   12    H    MET   3           H        MET   3 -20.093 -10.689  12.731
   13    HA   MET   3           HA       MET   3 -18.297 -12.054  14.509
   14   1HB   MET   3          2HB       MET   3 -19.408 -12.493  11.929
   15   2HB   MET   3          3HB       MET   3 -17.659 -12.596  11.790
   16   1HG   MET   3          2HG       MET   3 -19.050 -14.710  12.343
   17   2HG   MET   3          3HG       MET   3 -17.518 -14.422  13.166
   18   1HE   MET   3          1HE       MET   3 -21.292 -14.698  13.344
   19   2HE   MET   3          2HE       MET   3 -20.482 -16.141  13.952
   20   3HE   MET   3          3HE       MET   3 -21.485 -15.172  15.034
   21    H    GLY   4           H        GLY   4 -17.940  -9.101  13.833
   22   1HA   GLY   4          1HA       GLY   4 -15.619  -8.698  12.330
   23   2HA   GLY   4          2HA       GLY   4 -16.193  -7.639  13.605
   24    H    GLU   5           H        GLU   5 -16.012  -9.503  15.714
   25    HA   GLU   5           HA       GLU   5 -13.232  -9.259  16.372
   26   1HB   GLU   5          2HB       GLU   5 -14.990  -9.077  18.082
   27   2HB   GLU   5          3HB       GLU   5 -15.444 -10.751  17.796
   28   1HG   GLU   5          2HG       GLU   5 -12.854 -11.098  18.360
   29   2HG   GLU   5          3HG       GLU   5 -13.159  -9.629  19.287
   30    H    LYS   6           H        LYS   6 -15.362 -11.873  15.393
   31    HA   LYS   6           HA       LYS   6 -13.680 -14.017  15.926
   32   1HB   LYS   6          2HB       LYS   6 -15.924 -13.643  13.973
   33   2HB   LYS   6          3HB       LYS   6 -15.038 -15.160  14.059
   34   1HG   LYS   6          2HG       LYS   6 -15.776 -14.346  16.695
   35   2HG   LYS   6          3HG       LYS   6 -17.195 -14.319  15.649
   36   1HD   LYS   6          2HD       LYS   6 -16.278 -16.649  14.873
   37   2HD   LYS   6          3HD       LYS   6 -15.444 -16.603  16.428
   38   1HE   LYS   6          2HE       LYS   6 -17.339 -16.939  17.588
   39   2HE   LYS   6          3HE       LYS   6 -18.269 -15.848  16.562
   40   1HZ   LYS   6          HZ1       LYS   6 -18.288 -17.664  14.872
   41   2HZ   LYS   6          HZ2       LYS   6 -17.622 -18.695  16.041
   42   3HZ   LYS   6          HZ3       LYS   6 -19.153 -18.010  16.289
   43    H    PHE   7           H        PHE   7 -14.126 -12.439  12.707
   44    HA   PHE   7           HA       PHE   7 -12.013 -14.053  11.671
   45   1HB   PHE   7          2HB       PHE   7 -12.235 -12.547   9.608
   46   2HB   PHE   7          3HB       PHE   7 -13.579 -13.587  10.038
   47    HD1  PHE   7           HD1      PHE   7 -12.439 -10.127  10.889
   48    HD2  PHE   7           HD2      PHE   7 -15.634 -12.674   9.692
   49    HE1  PHE   7           HE1      PHE   7 -13.938  -8.184  10.760
   50    HE2  PHE   7           HE2      PHE   7 -17.137 -10.732   9.566
   51    HZ   PHE   7           HZ       PHE   7 -16.288  -8.482  10.098
   52    H    ASP   8           H        ASP   8 -12.103 -11.011  13.189
   53    HA   ASP   8           HA       ASP   8  -9.934  -9.651  12.155
   54   1HB   ASP   8          2HB       ASP   8 -10.892  -8.344  13.755
   55   2HB   ASP   8          3HB       ASP   8 -11.253  -9.709  14.804
   56    H    ALA   9           H        ALA   9  -9.875 -12.143  14.681
   57    HA   ALA   9           HA       ALA   9  -7.146 -12.114  15.245
   58   1HB   ALA   9          1HB       ALA   9  -9.394 -13.888  15.735
   59   2HB   ALA   9          2HB       ALA   9  -7.874 -14.759  15.540
   60   3HB   ALA   9          3HB       ALA   9  -8.015 -13.497  16.762
   61    H    THR  10           H        THR  10  -8.938 -13.892  12.767
   62    HA   THR  10           HA       THR  10  -6.736 -15.396  11.828
   63    HB   THR  10           HB       THR  10  -8.598 -14.971   9.710
   64    HG1  THR  10           HG1      THR  10 -10.144 -14.253  11.108
   65   1HG2  THR  10          1HG2      THR  10  -7.539 -17.128  11.369
   66   2HG2  THR  10          2HG2      THR  10  -9.209 -17.396  10.868
   67   3HG2  THR  10          3HG2      THR  10  -7.958 -17.121   9.655
   68    H    PHE  11           H        PHE  11  -8.158 -12.305  10.759
   69    HA   PHE  11           HA       PHE  11  -6.578 -11.896   8.487
   70   1HB   PHE  11          2HB       PHE  11  -8.588 -10.508   9.594
   71   2HB   PHE  11          3HB       PHE  11  -7.245  -9.527  10.166
   72    HD1  PHE  11           HD1      PHE  11  -5.397  -9.297   8.071
   73    HD2  PHE  11           HD2      PHE  11  -9.635  -9.569   7.787
   74    HE1  PHE  11           HE1      PHE  11  -5.326  -8.135   5.904
   75    HE2  PHE  11           HE2      PHE  11  -9.570  -8.411   5.618
   76    HZ   PHE  11           HZ       PHE  11  -7.410  -7.688   4.674
   77    H    LYS  12           H        LYS  12  -6.003 -11.034  11.859
   78    HA   LYS  12           HA       LYS  12  -3.504  -9.765  11.453
   79   1HB   LYS  12          2HB       LYS  12  -5.044  -9.611  13.486
   80   2HB   LYS  12          3HB       LYS  12  -4.369 -11.157  13.980
   81   1HG   LYS  12          2HG       LYS  12  -3.364  -9.016  14.966
   82   2HG   LYS  12          3HG       LYS  12  -2.261 -10.255  14.365
   83   1HD   LYS  12          2HD       LYS  12  -1.439  -8.903  12.782
   84   2HD   LYS  12          3HD       LYS  12  -3.044  -8.338  12.315
   85   1HE   LYS  12          2HE       LYS  12  -2.182  -7.347  14.916
   86   2HE   LYS  12          3HE       LYS  12  -1.121  -6.852  13.599
   87   1HZ   LYS  12          HZ1       LYS  12  -4.065  -6.540  13.481
   88   2HZ   LYS  12          HZ2       LYS  12  -3.043  -5.341  14.111
   89   3HZ   LYS  12          HZ3       LYS  12  -2.894  -5.815  12.483
   90    H    ALA  13           H        ALA  13  -4.463 -13.073  11.708
   91    HA   ALA  13           HA       ALA  13  -1.878 -14.136  12.353
   92   1HB   ALA  13          1HB       ALA  13  -3.969 -15.342  12.854
   93   2HB   ALA  13          2HB       ALA  13  -4.257 -15.534  11.123
   94   3HB   ALA  13          3HB       ALA  13  -2.858 -16.303  11.878
   95    H    GLN  14           H        GLN  14  -3.749 -13.667   9.407
   96    HA   GLN  14           HA       GLN  14  -1.832 -14.895   7.680
   97   1HB   GLN  14          2HB       GLN  14  -4.170 -13.061   7.155
   98   2HB   GLN  14          3HB       GLN  14  -3.162 -13.715   5.872
   99   1HG   GLN  14          2HG       GLN  14  -3.858 -15.935   7.361
  100   2HG   GLN  14          3HG       GLN  14  -5.320 -14.950   7.349
  101   1HE2  GLN  14          1HE2      GLN  14  -6.585 -15.066   5.642
  102   2HE2  GLN  14          2HE2      GLN  14  -6.168 -15.769   4.111
  103    H    VAL  15           H        VAL  15  -2.717 -11.515   8.307
  104    HA   VAL  15           HA       VAL  15  -0.898 -10.408   6.513
  105    HB   VAL  15           HB       VAL  15  -2.547  -9.357   8.741
  106   1HG1  VAL  15          1HG1      VAL  15   0.011  -8.172   8.039
  107   2HG1  VAL  15          2HG1      VAL  15  -1.342  -7.064   7.807
  108   3HG1  VAL  15          3HG1      VAL  15  -1.075  -7.812   9.382
  109   1HG2  VAL  15          1HG2      VAL  15  -2.161  -8.702   5.829
  110   2HG2  VAL  15          2HG2      VAL  15  -3.543  -9.487   6.593
  111   3HG2  VAL  15          3HG2      VAL  15  -3.218  -7.783   6.901
  112    H    LYS  16           H        LYS  16  -0.476 -11.141   9.955
  113    HA   LYS  16           HA       LYS  16   1.982  -9.755  10.215
  114   1HB   LYS  16          2HB       LYS  16   0.402 -11.631  11.857
  115   2HB   LYS  16          3HB       LYS  16   2.130 -11.603  12.189
  116   1HG   LYS  16          2HG       LYS  16   1.828  -9.036  12.276
  117   2HG   LYS  16          3HG       LYS  16   0.115  -9.415  12.477
  118   1HD   LYS  16          2HD       LYS  16   0.548  -9.620  14.656
  119   2HD   LYS  16          3HD       LYS  16   1.382 -11.121  14.248
  120   1HE   LYS  16          2HE       LYS  16   3.314  -9.311  13.708
  121   2HE   LYS  16          3HE       LYS  16   2.463  -8.494  15.019
  122   1HZ   LYS  16          HZ1       LYS  16   2.724 -10.506  16.365
  123   2HZ   LYS  16          HZ2       LYS  16   3.606 -11.234  15.108
  124   3HZ   LYS  16          HZ3       LYS  16   4.225  -9.868  15.890
  125    H    ALA  17           H        ALA  17   1.159 -13.001   9.219
  126    HA   ALA  17           HA       ALA  17   3.681 -14.208   9.430
  127   1HB   ALA  17          1HB       ALA  17   1.225 -14.742   7.831
  128   2HB   ALA  17          2HB       ALA  17   2.713 -15.603   7.425
  129   3HB   ALA  17          3HB       ALA  17   2.027 -15.742   9.045
  130    H    ALA  18           H        ALA  18   2.410 -11.943   7.144
  131    HA   ALA  18           HA       ALA  18   4.171 -12.452   4.999
  132   1HB   ALA  18          1HB       ALA  18   1.979 -11.089   5.062
  133   2HB   ALA  18          2HB       ALA  18   3.025  -9.741   5.515
  134   3HB   ALA  18          3HB       ALA  18   3.277 -10.580   3.983
  135    H    LYS  19           H        LYS  19   4.468 -10.382   7.865
  136    HA   LYS  19           HA       LYS  19   6.973  -9.253   6.972
  137   1HB   LYS  19          2HB       LYS  19   6.844  -7.858   8.767
  138   2HB   LYS  19          3HB       LYS  19   5.144  -8.261   8.616
  139   1HG   LYS  19          2HG       LYS  19   5.274  -9.807  10.426
  140   2HG   LYS  19          3HG       LYS  19   7.033  -9.664  10.490
  141   1HD   LYS  19          2HD       LYS  19   6.672  -7.199  10.967
  142   2HD   LYS  19          3HD       LYS  19   4.968  -7.596  11.209
  143   1HE   LYS  19          2HE       LYS  19   5.447  -8.127  13.307
  144   2HE   LYS  19          3HE       LYS  19   6.403  -9.478  12.698
  145   1HZ   LYS  19          HZ1       LYS  19   7.733  -6.891  12.682
  146   2HZ   LYS  19          HZ2       LYS  19   7.393  -7.529  14.216
  147   3HZ   LYS  19          HZ3       LYS  19   8.322  -8.422  13.117
  148    H    ALA  20           H        ALA  20   5.867 -12.023   8.570
  149    HA   ALA  20           HA       ALA  20   8.293 -12.598  10.023
  150   1HB   ALA  20          1HB       ALA  20   5.670 -13.925   9.664
  151   2HB   ALA  20          2HB       ALA  20   7.039 -14.943  10.111
  152   3HB   ALA  20          3HB       ALA  20   6.579 -13.583  11.135
  153    H    ASP  21           H        ASP  21   7.157 -13.108   6.846
  154    HA   ASP  21           HA       ASP  21   8.351 -15.526   6.178
  155   1HB   ASP  21          2HB       ASP  21   6.667 -14.042   4.878
  156   2HB   ASP  21          3HB       ASP  21   8.101 -13.281   4.200
  157    H    MET  22           H        MET  22   9.739 -12.298   6.249
  158    HA   MET  22           HA       MET  22  12.272 -13.428   5.253
  159   1HB   MET  22          2HB       MET  22  12.815 -11.111   4.529
  160   2HB   MET  22          3HB       MET  22  11.411 -11.795   3.721
  161   1HG   MET  22          2HG       MET  22  10.123 -10.569   5.662
  162   2HG   MET  22          3HG       MET  22  11.579  -9.576   5.688
  163   1HE   MET  22          1HE       MET  22  12.713  -9.086   3.471
  164   2HE   MET  22          2HE       MET  22  11.885  -8.544   2.011
  165   3HE   MET  22          3HE       MET  22  11.918  -7.512   3.441
  166    H    VAL  23           H        VAL  23  14.068 -11.549   5.855
  167    HA   VAL  23           HA       VAL  23  14.411 -11.842   8.703
  168    HB   VAL  23           HB       VAL  23  16.160 -10.327   6.754
  169   1HG1  VAL  23          1HG1      VAL  23  16.285 -10.826   9.612
  170   2HG1  VAL  23          2HG1      VAL  23  17.742 -11.347   8.766
  171   3HG1  VAL  23          3HG1      VAL  23  17.186  -9.679   8.622
  172   1HG2  VAL  23          1HG2      VAL  23  15.800 -13.192   7.174
  173   2HG2  VAL  23          2HG2      VAL  23  16.577 -12.326   5.848
  174   3HG2  VAL  23          3HG2      VAL  23  17.473 -12.658   7.329
  175    H    MET  24           H        MET  24  13.439 -10.490  10.045
  176    HA   MET  24           HA       MET  24  12.680  -7.835   9.162
  177   1HB   MET  24          2HB       MET  24  11.970  -9.612  11.421
  178   2HB   MET  24          3HB       MET  24  11.893  -7.884  11.735
  179   1HG   MET  24          2HG       MET  24  10.649  -8.428   9.232
  180   2HG   MET  24          3HG       MET  24   9.992  -9.513  10.456
  181   1HE   MET  24          1HE       MET  24  10.346  -5.967   9.115
  182   2HE   MET  24          2HE       MET  24   8.787  -6.693   8.719
  183   3HE   MET  24          3HE       MET  24   8.858  -5.267   9.755
  184    H    LEU  25           H        LEU  25  13.896  -6.122   9.435
  185    HA   LEU  25           HA       LEU  25  15.922  -6.115  11.565
  186   1HB   LEU  25          2HB       LEU  25  16.058  -5.520   8.709
  187   2HB   LEU  25          3HB       LEU  25  16.688  -4.216   9.699
  188    HG   LEU  25           HG       LEU  25  17.719  -7.006   9.371
  189   1HD1  LEU  25          1HD1      LEU  25  18.497  -4.382   8.603
  190   2HD1  LEU  25          2HD1      LEU  25  19.708  -5.026   9.711
  191   3HD1  LEU  25          3HD1      LEU  25  19.288  -5.919   8.250
  192   1HD2  LEU  25          1HD2      LEU  25  17.841  -5.336  11.828
  193   2HD2  LEU  25          2HD2      LEU  25  17.787  -7.090  11.653
  194   3HD2  LEU  25          3HD2      LEU  25  19.288  -6.220  11.344
  195    H    SER  26           H        SER  26  16.643  -3.515  11.429
  196    HA   SER  26           HA       SER  26  14.181  -1.959  11.779
  197   1HB   SER  26          2HB       SER  26  16.217  -0.907  13.496
  198   2HB   SER  26          3HB       SER  26  14.636  -1.547  13.943
  199    HG   SER  26           HG       SER  26  17.144  -2.728  14.054
  200    HA   PRO  27           HA       PRO  27  15.703   0.743   8.723
  201   1HB   PRO  27          2HB       PRO  27  15.333   3.167  10.171
  202   2HB   PRO  27          3HB       PRO  27  14.242   2.434   8.995
  203   1HG   PRO  27          2HG       PRO  27  14.217   2.272  11.961
  204   2HG   PRO  27          3HG       PRO  27  12.862   2.247  10.815
  205   1HD   PRO  27          2HD       PRO  27  13.632   0.014  12.026
  206   2HD   PRO  27          3HD       PRO  27  13.181  -0.014  10.312
  207    H    LYS  28           H        LYS  28  17.004   1.234  11.996
  208    HA   LYS  28           HA       LYS  28  19.252   2.775  11.076
  209   1HB   LYS  28          2HB       LYS  28  19.099   1.299  13.696
  210   2HB   LYS  28          3HB       LYS  28  20.012   2.752  13.314
  211   1HG   LYS  28          2HG       LYS  28  17.495   3.611  12.834
  212   2HG   LYS  28          3HG       LYS  28  17.206   2.437  14.121
  213   1HD   LYS  28          2HD       LYS  28  19.403   4.448  14.401
  214   2HD   LYS  28          3HD       LYS  28  17.733   4.925  14.711
  215   1HE   LYS  28          2HE       LYS  28  19.465   2.993  16.190
  216   2HE   LYS  28          3HE       LYS  28  18.444   4.286  16.813
  217   1HZ   LYS  28          HZ1       LYS  28  16.506   2.891  16.033
  218   2HZ   LYS  28          HZ2       LYS  28  17.613   1.619  15.829
  219   3HZ   LYS  28          HZ3       LYS  28  17.370   2.293  17.366
  220    H    ASP  29           H        ASP  29  18.654  -0.562  12.032
  221    HA   ASP  29           HA       ASP  29  21.299  -1.538  11.677
  222   1HB   ASP  29          2HB       ASP  29  18.623  -2.955  11.573
  223   2HB   ASP  29          3HB       ASP  29  20.178  -3.780  11.573
  224    H    ALA  30           H        ALA  30  18.578  -1.031   9.618
  225    HA   ALA  30           HA       ALA  30  19.571  -2.500   7.364
  226   1HB   ALA  30          1HB       ALA  30  17.128  -1.750   7.945
  227   2HB   ALA  30          2HB       ALA  30  17.587  -0.300   7.054
  228   3HB   ALA  30          3HB       ALA  30  17.657  -1.877   6.267
  229    H    TYR  31           H        TYR  31  19.415   0.960   8.225
  230    HA   TYR  31           HA       TYR  31  20.716   1.885   5.897
  231   1HB   TYR  31          HB2       TYR  31  19.460   3.421   7.281
  232   2HB   TYR  31          HB3       TYR  31  20.513   3.112   8.654
  233    HD1  TYR  31           HD1      TYR  31  20.565   4.426   5.175
  234    HD2  TYR  31           HD2      TYR  31  22.348   4.506   9.034
  235    HE1  TYR  31           HE1      TYR  31  22.008   6.276   4.455
  236    HE2  TYR  31           HE2      TYR  31  23.802   6.358   8.329
  237    HH   TYR  31           HH       TYR  31  23.282   8.230   5.711
  238    H    LYS  32           H        LYS  32  21.890   0.651   8.947
  239    HA   LYS  32           HA       LYS  32  24.521   1.503   8.924
  240   1HB   LYS  32          2HB       LYS  32  23.148   0.063  10.636
  241   2HB   LYS  32          3HB       LYS  32  23.865  -1.290   9.772
  242   1HG   LYS  32          2HG       LYS  32  25.212  -0.798  11.682
  243   2HG   LYS  32          3HG       LYS  32  26.105  -0.334  10.233
  244   1HD   LYS  32          2HD       LYS  32  24.680   1.947  10.931
  245   2HD   LYS  32          3HD       LYS  32  25.232   1.287  12.472
  246   1HE   LYS  32          2HE       LYS  32  27.525   1.179  11.562
  247   2HE   LYS  32          3HE       LYS  32  26.948   1.924  10.072
  248   1HZ   LYS  32          HZ1       LYS  32  26.767   3.180  12.758
  249   2HZ   LYS  32          HZ2       LYS  32  27.982   3.506  11.625
  250   3HZ   LYS  32          HZ3       LYS  32  26.369   3.897  11.274
  251    H    LEU  33           H        LEU  33  23.225  -1.513   7.535
  252    HA   LEU  33           HA       LEU  33  25.725  -2.197   6.331
  253   1HB   LEU  33          2HB       LEU  33  24.107  -3.813   5.006
  254   2HB   LEU  33          3HB       LEU  33  24.582  -4.125   6.662
  255    HG   LEU  33           HG       LEU  33  22.287  -2.631   6.966
  256   1HD1  LEU  33          1HD1      LEU  33  22.092  -3.023   4.402
  257   2HD1  LEU  33          2HD1      LEU  33  21.609  -4.654   4.869
  258   3HD1  LEU  33          3HD1      LEU  33  20.677  -3.264   5.432
  259   1HD2  LEU  33          1HD2      LEU  33  22.992  -5.523   7.077
  260   2HD2  LEU  33          2HD2      LEU  33  22.504  -4.429   8.370
  261   3HD2  LEU  33          3HD2      LEU  33  21.299  -5.060   7.247
  262    H    LEU  34           H        LEU  34  22.989  -0.329   5.355
  263    HA   LEU  34           HA       LEU  34  23.348  -0.441   2.543
  264   1HB   LEU  34          2HB       LEU  34  22.129   1.693   4.293
  265   2HB   LEU  34          3HB       LEU  34  22.082   1.723   2.544
  266    HG   LEU  34           HG       LEU  34  20.852  -0.443   4.243
  267   1HD1  LEU  34          1HD1      LEU  34  19.797   1.792   4.531
  268   2HD1  LEU  34          2HD1      LEU  34  19.474   1.814   2.797
  269   3HD1  LEU  34          3HD1      LEU  34  18.731   0.581   3.817
  270   1HD2  LEU  34          1HD2      LEU  34  21.623  -0.770   1.744
  271   2HD2  LEU  34          2HD2      LEU  34  20.093  -1.421   2.329
  272   3HD2  LEU  34          3HD2      LEU  34  20.116   0.086   1.415
  273    H    GLN  35           H        GLN  35  24.423   1.894   4.987
  274    HA   GLN  35           HA       GLN  35  25.735   3.545   3.083
  275   1HB   GLN  35          2HB       GLN  35  26.591   4.762   5.064
  276   2HB   GLN  35          3HB       GLN  35  24.851   4.525   5.094
  277   1HG   GLN  35          2HG       GLN  35  24.923   3.268   6.946
  278   2HG   GLN  35          3HG       GLN  35  26.393   2.433   6.448
  279   1HE2  GLN  35          1HE2      GLN  35  28.274   3.021   7.317
  280   2HE2  GLN  35          2HE2      GLN  35  28.496   4.365   8.384
  281    H    GLU  36           H        GLU  36  26.782   0.857   5.055
  282    HA   GLU  36           HA       GLU  36  29.576   1.476   4.678
  283   1HB   GLU  36          2HB       GLU  36  28.956   0.509   6.780
  284   2HB   GLU  36          3HB       GLU  36  28.113  -0.815   5.987
  285   1HG   GLU  36          2HG       GLU  36  30.522  -1.264   4.990
  286   2HG   GLU  36          3HG       GLU  36  31.012  -0.411   6.453
  287    H    ASN  37           H        ASN  37  27.184  -0.756   3.427
  288    HA   ASN  37           HA       ASN  37  29.162  -1.689   1.456
  289   1HB   ASN  37          2HB       ASN  37  26.656  -3.211   2.153
  290   2HB   ASN  37          3HB       ASN  37  28.112  -3.793   1.362
  291   1HD2  ASN  37          1HD2      ASN  37  26.705  -2.828   4.401
  292   2HD2  ASN  37          2HD2      ASN  37  27.875  -3.603   5.418
  293    HA   PRO  38           HA       PRO  38  26.263   0.837  -0.962
  294   1HB   PRO  38          2HB       PRO  38  27.941   1.085  -3.108
  295   2HB   PRO  38          3HB       PRO  38  28.004   2.126  -1.682
  296   1HG   PRO  38          2HG       PRO  38  29.686  -0.245  -2.376
  297   2HG   PRO  38          3HG       PRO  38  30.170   1.303  -1.661
  298   1HD   PRO  38          2HD       PRO  38  29.863  -0.934  -0.183
  299   2HD   PRO  38          3HD       PRO  38  29.495   0.680   0.456
  300    H    ASP  39           H        ASP  39  27.157  -2.299  -1.193
  301    HA   ASP  39           HA       ASP  39  25.996  -2.798  -3.819
  302   1HB   ASP  39          2HB       ASP  39  28.033  -4.039  -3.117
  303   2HB   ASP  39          3HB       ASP  39  27.115  -4.753  -1.796
  304    H    ILE  40           H        ILE  40  25.268  -2.944  -0.439
  305    HA   ILE  40           HA       ILE  40  22.806  -4.435  -0.802
  306    HB   ILE  40           HB       ILE  40  23.680  -2.895   1.644
  307   1HG1  ILE  40          2HG1      ILE  40  24.201  -5.790   0.927
  308   2HG1  ILE  40          3HG1      ILE  40  25.413  -4.519   1.038
  309   1HG2  ILE  40          1HG2      ILE  40  21.589  -4.969   1.091
  310   2HG2  ILE  40          2HG2      ILE  40  22.222  -4.720   2.717
  311   3HG2  ILE  40          3HG2      ILE  40  21.417  -3.398   1.873
  312   1HD1  ILE  40          1HD1      ILE  40  24.911  -4.293   3.438
  313   2HD1  ILE  40          2HD1      ILE  40  23.768  -5.630   3.299
  314   3HD1  ILE  40          3HD1      ILE  40  25.487  -5.903   3.002
  315    H    THR  41           H        THR  41  21.220  -3.433  -1.809
  316    HA   THR  41           HA       THR  41  20.969  -0.529  -1.625
  317    HB   THR  41           HB       THR  41  19.055  -1.752  -3.399
  318    HG1  THR  41           HG1      THR  41  21.696  -2.745  -3.441
  319   1HG2  THR  41          1HG2      THR  41  20.117   0.566  -3.430
  320   2HG2  THR  41          2HG2      THR  41  21.522  -0.212  -4.158
  321   3HG2  THR  41          3HG2      THR  41  19.964  -0.262  -4.979
  322    H    LEU  42           H        LEU  42  19.049   0.540  -1.011
  323    HA   LEU  42           HA       LEU  42  17.072  -1.162   0.350
  324   1HB   LEU  42          2HB       LEU  42  17.656   0.394   1.966
  325   2HB   LEU  42          3HB       LEU  42  17.942   1.665   0.791
  326    HG   LEU  42           HG       LEU  42  15.339   1.546   0.464
  327   1HD1  LEU  42          1HD1      LEU  42  15.159  -0.479   1.934
  328   2HD1  LEU  42          2HD1      LEU  42  15.567   0.561   3.299
  329   3HD1  LEU  42          3HD1      LEU  42  14.100   0.862   2.369
  330   1HD2  LEU  42          1HD2      LEU  42  16.631   3.459   1.353
  331   2HD2  LEU  42          2HD2      LEU  42  15.054   3.265   2.120
  332   3HD2  LEU  42          3HD2      LEU  42  16.516   2.749   2.965
  333    H    ILE  43           H        ILE  43  15.069  -1.272  -0.402
  334    HA   ILE  43           HA       ILE  43  14.378   0.465  -2.678
  335    HB   ILE  43           HB       ILE  43  13.565  -2.386  -2.111
  336   1HG1  ILE  43          2HG1      ILE  43  14.804  -1.118  -4.558
  337   2HG1  ILE  43          3HG1      ILE  43  15.733  -1.895  -3.280
  338   1HG2  ILE  43          1HG2      ILE  43  12.072  -0.313  -3.481
  339   2HG2  ILE  43          2HG2      ILE  43  12.454  -1.660  -4.554
  340   3HG2  ILE  43          3HG2      ILE  43  11.585  -1.951  -3.047
  341   1HD1  ILE  43          1HD1      ILE  43  13.635  -3.622  -4.256
  342   2HD1  ILE  43          2HD1      ILE  43  14.713  -3.097  -5.550
  343   3HD1  ILE  43          3HD1      ILE  43  15.371  -3.910  -4.129
  344    H    ASP  44           H        ASP  44  12.945   1.939  -2.169
  345    HA   ASP  44           HA       ASP  44  11.218   1.491   0.148
  346   1HB   ASP  44          2HB       ASP  44  12.142   3.548   0.532
  347   2HB   ASP  44          3HB       ASP  44  12.370   3.879  -1.177
  348    H    VAL  45           H        VAL  45   9.072   1.481   0.020
  349    HA   VAL  45           HA       VAL  45   7.836   1.885  -2.616
  350    HB   VAL  45           HB       VAL  45   6.239   0.062  -1.117
  351   1HG1  VAL  45          1HG1      VAL  45   6.739   0.532  -3.690
  352   2HG1  VAL  45          2HG1      VAL  45   7.777  -0.875  -3.462
  353   3HG1  VAL  45          3HG1      VAL  45   6.051  -0.986  -3.114
  354   1HG2  VAL  45          1HG2      VAL  45   9.094  -0.862  -1.451
  355   2HG2  VAL  45          2HG2      VAL  45   8.248  -0.614   0.075
  356   3HG2  VAL  45          3HG2      VAL  45   7.728  -1.893  -1.023
  357    H    ARG  46           H        ARG  46   6.993   3.844  -2.222
  358    HA   ARG  46           HA       ARG  46   4.708   3.979  -0.490
  359   1HB   ARG  46          2HB       ARG  46   7.188   4.967   0.486
  360   2HB   ARG  46          3HB       ARG  46   6.195   6.360   0.084
  361   1HG   ARG  46          2HG       ARG  46   5.643   4.178   2.065
  362   2HG   ARG  46          3HG       ARG  46   5.742   5.918   2.334
  363   1HD   ARG  46          2HD       ARG  46   3.704   5.561   0.446
  364   2HD   ARG  46          3HD       ARG  46   3.465   4.289   1.642
  365    HE   ARG  46           HE       ARG  46   3.820   6.471   3.189
  366   1HH1  ARG  46          1HH1      ARG  46   1.721   5.866   0.426
  367   2HH1  ARG  46          2HH1      ARG  46   0.505   6.970   0.983
  368   1HH2  ARG  46          1HH2      ARG  46   2.205   7.885   3.908
  369   2HH2  ARG  46          2HH2      ARG  46   0.754   8.118   2.958
  370    H    ASP  47           H        ASP  47   3.554   6.022  -0.797
  371    HA   ASP  47           HA       ASP  47   3.461   6.594  -3.588
  372   1HB   ASP  47          2HB       ASP  47   1.808   7.735  -1.325
  373   2HB   ASP  47          3HB       ASP  47   1.408   7.790  -3.040
  374    HA   PRO  48           HA       PRO  48   5.732  10.200  -3.933
  375   1HB   PRO  48          2HB       PRO  48   4.287  11.718  -5.682
  376   2HB   PRO  48          3HB       PRO  48   5.188  10.268  -6.140
  377   1HG   PRO  48          2HG       PRO  48   2.269  10.580  -5.552
  378   2HG   PRO  48          3HG       PRO  48   3.057   9.675  -6.859
  379   1HD   PRO  48          2HD       PRO  48   2.119   8.447  -4.667
  380   2HD   PRO  48          3HD       PRO  48   3.605   7.904  -5.474
  381    H    ASP  49           H        ASP  49   2.431  10.827  -2.834
  382    HA   ASP  49           HA       ASP  49   2.986  13.623  -2.432
  383   1HB   ASP  49          2HB       ASP  49   0.651  12.391  -2.720
  384   2HB   ASP  49          3HB       ASP  49   0.728  12.383  -0.957
  385    H    GLU  50           H        GLU  50   3.000  10.767  -0.336
  386    HA   GLU  50           HA       GLU  50   3.486  12.289   2.041
  387   1HB   GLU  50          2HB       GLU  50   2.636  10.120   2.437
  388   2HB   GLU  50          3HB       GLU  50   3.804   9.371   1.357
  389   1HG   GLU  50          2HG       GLU  50   5.367   9.210   2.955
  390   2HG   GLU  50          3HG       GLU  50   5.006  10.806   3.608
  391    H    LEU  51           H        LEU  51   5.436  10.686  -0.393
  392    HA   LEU  51           HA       LEU  51   7.981  11.002   0.760
  393   1HB   LEU  51          2HB       LEU  51   6.862  10.229  -1.779
  394   2HB   LEU  51          3HB       LEU  51   8.227  11.298  -2.037
  395    HG   LEU  51           HG       LEU  51   9.565   9.765  -0.528
  396   1HD1  LEU  51          1HD1      LEU  51   7.077   8.112  -0.850
  397   2HD1  LEU  51          2HD1      LEU  51   8.650   7.404  -0.479
  398   3HD1  LEU  51          3HD1      LEU  51   7.918   8.556   0.636
  399   1HD2  LEU  51          1HD2      LEU  51   8.633   9.282  -3.265
  400   2HD2  LEU  51          2HD2      LEU  51  10.273   9.371  -2.618
  401   3HD2  LEU  51          3HD2      LEU  51   9.344   7.878  -2.466
  402    H    LYS  52           H        LYS  52   5.921  13.133  -1.076
  403    HA   LYS  52           HA       LYS  52   7.886  15.191  -1.429
  404   1HB   LYS  52          2HB       LYS  52   5.828  14.650  -2.890
  405   2HB   LYS  52          3HB       LYS  52   4.903  15.515  -1.674
  406   1HG   LYS  52          2HG       LYS  52   6.057  17.545  -2.126
  407   2HG   LYS  52          3HG       LYS  52   7.223  16.719  -3.163
  408   1HD   LYS  52          2HD       LYS  52   5.575  17.890  -4.514
  409   2HD   LYS  52          3HD       LYS  52   5.407  16.146  -4.723
  410   1HE   LYS  52          2HE       LYS  52   3.745  16.917  -2.559
  411   2HE   LYS  52          3HE       LYS  52   3.455  18.047  -3.881
  412   1HZ   LYS  52          HZ1       LYS  52   3.588  15.290  -4.716
  413   2HZ   LYS  52          HZ2       LYS  52   2.313  15.608  -3.638
  414   3HZ   LYS  52          HZ3       LYS  52   2.441  16.481  -5.089
  415    H    ALA  53           H        ALA  53   5.047  14.707   0.644
  416    HA   ALA  53           HA       ALA  53   5.300  17.277   1.863
  417   1HB   ALA  53          1HB       ALA  53   3.281  15.391   1.602
  418   2HB   ALA  53          2HB       ALA  53   3.612  15.456   3.333
  419   3HB   ALA  53          3HB       ALA  53   3.191  16.929   2.460
  420    H    MET  54           H        MET  54   5.815  13.962   3.059
  421    HA   MET  54           HA       MET  54   6.806  15.085   5.567
  422   1HB   MET  54          2HB       MET  54   5.951  12.338   4.715
  423   2HB   MET  54          3HB       MET  54   6.841  12.588   6.212
  424   1HG   MET  54          2HG       MET  54   4.514  14.338   5.805
  425   2HG   MET  54          3HG       MET  54   4.163  12.626   6.022
  426   1HE   MET  54          1HE       MET  54   4.845  11.228   7.818
  427   2HE   MET  54          2HE       MET  54   5.037  11.745   9.493
  428   3HE   MET  54          3HE       MET  54   3.492  11.969   8.673
  429    H    GLY  55           H        GLY  55   7.943  13.126   2.875
  430   1HA   GLY  55          1HA       GLY  55  10.297  13.609   2.281
  431   2HA   GLY  55          2HA       GLY  55  10.668  13.361   3.981
  432    H    LYS  56           H        LYS  56  12.126  11.960   2.311
  433    HA   LYS  56           HA       LYS  56  11.229   9.212   2.750
  434   1HB   LYS  56          2HB       LYS  56  12.146   8.639   0.431
  435   2HB   LYS  56          3HB       LYS  56  10.580   9.436   0.487
  436   1HG   LYS  56          2HG       LYS  56  11.372  10.926  -0.946
  437   2HG   LYS  56          3HG       LYS  56  12.449  11.502   0.329
  438   1HD   LYS  56          2HD       LYS  56  14.103   9.781  -0.375
  439   2HD   LYS  56          3HD       LYS  56  13.043   9.377  -1.727
  440   1HE   LYS  56          2HE       LYS  56  13.498  12.217  -1.593
  441   2HE   LYS  56          3HE       LYS  56  15.027  11.342  -1.651
  442   1HZ   LYS  56          HZ1       LYS  56  13.283  10.185  -3.511
  443   2HZ   LYS  56          HZ2       LYS  56  13.245  11.863  -3.742
  444   3HZ   LYS  56          HZ3       LYS  56  14.722  11.033  -3.802
  445    HA   PRO  57           HA       PRO  57  15.347   8.494   4.095
  446   1HB   PRO  57          2HB       PRO  57  16.145   6.268   2.637
  447   2HB   PRO  57          3HB       PRO  57  15.232   6.239   4.150
  448   1HG   PRO  57          2HG       PRO  57  14.266   5.966   1.344
  449   2HG   PRO  57          3HG       PRO  57  13.678   5.177   2.816
  450   1HD   PRO  57          2HD       PRO  57  12.355   7.221   1.661
  451   2HD   PRO  57          3HD       PRO  57  12.378   6.989   3.421
  452    H    ASP  58           H        ASP  58  17.230   9.403   3.677
  453    HA   ASP  58           HA       ASP  58  18.012   9.887   0.890
  454   1HB   ASP  58          2HB       ASP  58  18.008  11.866   2.351
  455   2HB   ASP  58          3HB       ASP  58  19.102  11.058   3.467
  456    H    VAL  59           H        VAL  59  18.851   7.957   0.280
  457    HA   VAL  59           HA       VAL  59  21.236   7.060   1.736
  458    HB   VAL  59           HB       VAL  59  20.514   4.706   0.787
  459   1HG1  VAL  59          1HG1      VAL  59  20.481   5.892   3.261
  460   2HG1  VAL  59          2HG1      VAL  59  18.839   5.268   3.099
  461   3HG1  VAL  59          3HG1      VAL  59  20.217   4.179   2.936
  462   1HG2  VAL  59          1HG2      VAL  59  18.273   6.222   0.103
  463   2HG2  VAL  59          2HG2      VAL  59  18.441   4.463   0.056
  464   3HG2  VAL  59          3HG2      VAL  59  17.784   5.250   1.493
  465    H    LYS  60           H        LYS  60  22.912   6.300   0.504
  466    HA   LYS  60           HA       LYS  60  23.252   7.495  -2.004
  467   1HB   LYS  60          2HB       LYS  60  25.220   5.653  -2.024
  468   2HB   LYS  60          3HB       LYS  60  25.309   7.158  -1.122
  469   1HG   LYS  60          2HG       LYS  60  25.124   6.124   0.888
  470   2HG   LYS  60          3HG       LYS  60  24.092   4.839   0.258
  471   1HD   LYS  60          2HD       LYS  60  25.887   3.520   0.305
  472   2HD   LYS  60          3HD       LYS  60  26.515   4.470  -1.043
  473   1HE   LYS  60          2HE       LYS  60  26.920   5.541   1.695
  474   2HE   LYS  60          3HE       LYS  60  27.867   4.129   1.228
  475   1HZ   LYS  60          HZ1       LYS  60  28.272   5.615  -0.899
  476   2HZ   LYS  60          HZ2       LYS  60  27.972   6.866   0.203
  477   3HZ   LYS  60          HZ3       LYS  60  29.230   5.769   0.491
  478    H    ASN  61           H        ASN  61  22.459   4.196  -1.106
  479    HA   ASN  61           HA       ASN  61  22.125   3.519  -3.945
  480   1HB   ASN  61          2HB       ASN  61  22.109   1.103  -2.859
  481   2HB   ASN  61          3HB       ASN  61  23.618   1.924  -3.219
  482   1HD2  ASN  61          1HD2      ASN  61  24.400   0.372  -1.679
  483   2HD2  ASN  61          2HD2      ASN  61  24.321   0.727   0.004
  484    H    TYR  62           H        TYR  62  20.091   4.633  -3.839
  485    HA   TYR  62           HA       TYR  62  17.993   3.185  -2.375
  486   1HB   TYR  62          HB2       TYR  62  18.291   5.376  -1.496
  487   2HB   TYR  62          HB3       TYR  62  18.400   6.085  -3.094
  488    HD1  TYR  62           HD1      TYR  62  15.801   3.696  -1.934
  489    HD2  TYR  62           HD2      TYR  62  16.748   7.712  -2.945
  490    HE1  TYR  62           HE1      TYR  62  13.421   4.269  -1.859
  491    HE2  TYR  62           HE2      TYR  62  14.371   8.302  -2.866
  492    HH   TYR  62           HH       TYR  62  11.914   6.057  -1.760
  493    H    LYS  63           H        LYS  63  16.419   2.209  -3.587
  494    HA   LYS  63           HA       LYS  63  15.901   3.322  -6.256
  495   1HB   LYS  63          2HB       LYS  63  15.448   0.420  -5.597
  496   2HB   LYS  63          3HB       LYS  63  15.547   1.186  -7.172
  497   1HG   LYS  63          2HG       LYS  63  17.981   1.657  -6.553
  498   2HG   LYS  63          3HG       LYS  63  17.752   0.412  -5.324
  499   1HD   LYS  63          2HD       LYS  63  16.679  -0.496  -7.816
  500   2HD   LYS  63          3HD       LYS  63  18.325   0.079  -8.072
  501   1HE   LYS  63          2HE       LYS  63  18.498  -1.385  -5.734
  502   2HE   LYS  63          3HE       LYS  63  17.373  -2.312  -6.724
  503   1HZ   LYS  63          HZ1       LYS  63  19.709  -1.362  -8.139
  504   2HZ   LYS  63          HZ2       LYS  63  20.053  -2.471  -6.905
  505   3HZ   LYS  63          HZ3       LYS  63  18.988  -2.893  -8.148
  506    H    HIS  64           H        HIS  64  13.949   4.305  -6.156
  507    HA   HIS  64           HA       HIS  64  11.919   3.277  -4.316
  508   1HB   HIS  64          2HB       HIS  64  12.280   5.701  -4.313
  509   2HB   HIS  64          3HB       HIS  64  11.986   5.766  -6.045
  510    HD1  HIS  64           HD1      HIS  64   9.912   7.131  -6.164
  511    HD2  HIS  64           HD2      HIS  64   9.607   4.067  -3.368
  512    HE1  HIS  64           HE1      HIS  64   7.501   7.119  -5.428
  513    HE2  HIS  64           HE2      HIS  64   7.389   5.391  -3.608
  514    H    MET  65           H        MET  65  10.663   1.700  -5.089
  515    HA   MET  65           HA       MET  65  10.137   1.654  -7.988
  516   1HB   MET  65          2HB       MET  65  10.950  -0.362  -6.059
  517   2HB   MET  65          3HB       MET  65   9.534  -0.859  -6.975
  518   1HG   MET  65          2HG       MET  65  11.317  -1.665  -8.214
  519   2HG   MET  65          3HG       MET  65  10.861  -0.181  -9.048
  520   1HE   MET  65          1HE       MET  65  12.077   1.273  -9.783
  521   2HE   MET  65          2HE       MET  65  13.133   2.257  -8.769
  522   3HE   MET  65          3HE       MET  65  13.827   1.103  -9.907
  523    H    SER  66           H        SER  66   8.191   2.604  -8.282
  524    HA   SER  66           HA       SER  66   6.108   2.208  -6.322
  525   1HB   SER  66          2HB       SER  66   5.201   3.782  -8.514
  526   2HB   SER  66          3HB       SER  66   5.631   4.312  -6.887
  527    HG   SER  66           HG       SER  66   7.024   5.397  -8.149
  528    H    ARG  67           H        ARG  67   4.970   2.770  -9.492
  529    HA   ARG  67           HA       ARG  67   3.425   1.718 -10.760
  530   1HB   ARG  67          2HB       ARG  67   5.517  -0.086 -10.614
  531   2HB   ARG  67          3HB       ARG  67   4.126  -1.050 -10.133
  532   1HG   ARG  67          2HG       ARG  67   4.454  -1.243 -12.505
  533   2HG   ARG  67          3HG       ARG  67   2.966  -0.345 -12.195
  534   1HD   ARG  67          2HD       ARG  67   5.178   1.470 -12.350
  535   2HD   ARG  67          3HD       ARG  67   5.170   0.429 -13.773
  536    HE   ARG  67           HE       ARG  67   2.725   1.855 -12.956
  537   1HH1  ARG  67          1HH1      ARG  67   5.243   1.250 -15.320
  538   2HH1  ARG  67          2HH1      ARG  67   4.455   2.140 -16.587
  539   1HH2  ARG  67          1HH2      ARG  67   1.702   3.058 -14.604
  540   2HH2  ARG  67          2HH2      ARG  67   2.432   3.171 -16.179
  541    H    GLY  68           H        GLY  68   2.666  -1.263  -9.628
  542   1HA   GLY  68          1HA       GLY  68   0.684  -0.134  -7.785
  543   2HA   GLY  68          2HA       GLY  68   0.616  -1.726  -8.537
  544    H    LYS  69           H        LYS  69   3.131  -2.676  -8.044
  545    HA   LYS  69           HA       LYS  69   3.826  -2.242  -5.296
  546   1HB   LYS  69          2HB       LYS  69   2.319  -4.646  -6.068
  547   2HB   LYS  69          3HB       LYS  69   3.780  -4.962  -5.142
  548   1HG   LYS  69          2HG       LYS  69   1.635  -3.032  -4.282
  549   2HG   LYS  69          3HG       LYS  69   1.704  -4.721  -3.778
  550   1HD   LYS  69          2HD       LYS  69   2.770  -3.698  -2.016
  551   2HD   LYS  69          3HD       LYS  69   4.144  -4.088  -3.052
  552   1HE   LYS  69          2HE       LYS  69   4.567  -1.887  -2.485
  553   2HE   LYS  69          3HE       LYS  69   3.752  -1.722  -4.038
  554   1HZ   LYS  69          HZ1       LYS  69   1.690  -1.247  -2.862
  555   2HZ   LYS  69          HZ2       LYS  69   2.485  -1.396  -1.371
  556   3HZ   LYS  69          HZ3       LYS  69   2.903  -0.148  -2.432
  557    H    LEU  70           H        LEU  70   5.145  -1.691  -7.580
  558    HA   LEU  70           HA       LEU  70   7.250  -1.682  -8.372
  559   1HB   LEU  70          2HB       LEU  70   8.702  -1.922  -6.724
  560   2HB   LEU  70          3HB       LEU  70   7.427  -2.639  -5.770
  561    HG   LEU  70           HG       LEU  70   8.482  -4.725  -7.351
  562   1HD1  LEU  70          1HD1      LEU  70  10.587  -2.915  -6.197
  563   2HD1  LEU  70          2HD1      LEU  70  10.865  -4.631  -6.497
  564   3HD1  LEU  70          3HD1      LEU  70  10.472  -3.554  -7.836
  565   1HD2  LEU  70          1HD2      LEU  70   7.838  -4.171  -4.686
  566   2HD2  LEU  70          2HD2      LEU  70   8.280  -5.729  -5.387
  567   3HD2  LEU  70          3HD2      LEU  70   9.522  -4.696  -4.678
  568    H    GLU  71           H        GLU  71   5.322  -4.304  -8.669
  569    HA   GLU  71           HA       GLU  71   6.770  -6.433  -9.501
  570   1HB   GLU  71          2HB       GLU  71   4.542  -5.960 -11.331
  571   2HB   GLU  71          3HB       GLU  71   4.821  -7.285 -10.210
  572   1HG   GLU  71          2HG       GLU  71   2.996  -6.426  -9.211
  573   2HG   GLU  71          3HG       GLU  71   4.183  -5.365  -8.457
  574    HA   PRO  72           HA       PRO  72   7.376  -5.079 -14.032
  575   1HB   PRO  72          2HB       PRO  72   6.397  -2.360 -14.390
  576   2HB   PRO  72          3HB       PRO  72   5.954  -3.826 -15.265
  577   1HG   PRO  72          2HG       PRO  72   4.254  -2.568 -13.584
  578   2HG   PRO  72          3HG       PRO  72   4.237  -4.328 -13.817
  579   1HD   PRO  72          2HD       PRO  72   5.472  -2.720 -11.608
  580   2HD   PRO  72          3HD       PRO  72   4.511  -4.212 -11.508
  581    H    LEU  73           H        LEU  73   7.898  -2.834 -11.473
  582    HA   LEU  73           HA       LEU  73   9.952  -1.374 -12.908
  583   1HB   LEU  73          2HB       LEU  73   8.289  -0.946 -10.587
  584   2HB   LEU  73          3HB       LEU  73   9.969  -0.642 -10.194
  585    HG   LEU  73           HG       LEU  73   8.737   1.388 -10.889
  586   1HD1  LEU  73          1HD1      LEU  73  10.985   0.524 -12.697
  587   2HD1  LEU  73          2HD1      LEU  73  10.415   2.183 -12.510
  588   3HD1  LEU  73          3HD1      LEU  73  11.131   1.337 -11.138
  589   1HD2  LEU  73          1HD2      LEU  73   8.146  -0.309 -13.216
  590   2HD2  LEU  73          2HD2      LEU  73   7.229   1.025 -12.517
  591   3HD2  LEU  73          3HD2      LEU  73   8.592   1.356 -13.584
  592    H    LEU  74           H        LEU  74   9.745  -4.113 -10.917
  593    HA   LEU  74           HA       LEU  74  12.086  -4.023  -9.425
  594   1HB   LEU  74          2HB       LEU  74  10.293  -5.705  -9.207
  595   2HB   LEU  74          3HB       LEU  74  10.786  -6.415 -10.731
  596    HG   LEU  74           HG       LEU  74  13.002  -6.947  -9.681
  597   1HD1  LEU  74          1HD1      LEU  74  12.779  -5.234  -7.863
  598   2HD1  LEU  74          2HD1      LEU  74  11.602  -6.301  -7.097
  599   3HD1  LEU  74          3HD1      LEU  74  13.266  -6.840  -7.321
  600   1HD2  LEU  74          1HD2      LEU  74  10.400  -8.129  -9.126
  601   2HD2  LEU  74          2HD2      LEU  74  11.904  -8.888  -9.648
  602   3HD2  LEU  74          3HD2      LEU  74  11.631  -8.556  -7.939
  603    H    ALA  75           H        ALA  75  11.594  -5.478 -12.626
  604    HA   ALA  75           HA       ALA  75  14.325  -6.101 -13.054
  605   1HB   ALA  75          1HB       ALA  75  11.826  -6.309 -14.516
  606   2HB   ALA  75          2HB       ALA  75  13.195  -5.930 -15.562
  607   3HB   ALA  75          3HB       ALA  75  13.240  -7.363 -14.535
  608    H    LYS  76           H        LYS  76  12.486  -3.234 -13.449
  609    HA   LYS  76           HA       LYS  76  14.030  -2.016 -15.486
  610   1HB   LYS  76          2HB       LYS  76  12.132  -0.811 -13.470
  611   2HB   LYS  76          3HB       LYS  76  12.827   0.065 -14.825
  612   1HG   LYS  76          2HG       LYS  76  11.774  -1.789 -16.273
  613   2HG   LYS  76          3HG       LYS  76  10.803  -2.130 -14.836
  614   1HD   LYS  76          2HD       LYS  76   9.497  -0.361 -15.202
  615   2HD   LYS  76          3HD       LYS  76  10.890   0.703 -15.401
  616   1HE   LYS  76          2HE       LYS  76  10.224  -1.158 -17.619
  617   2HE   LYS  76          3HE       LYS  76   9.181   0.241 -17.374
  618   1HZ   LYS  76          HZ1       LYS  76  11.792   1.160 -17.226
  619   2HZ   LYS  76          HZ2       LYS  76  11.736   0.121 -18.569
  620   3HZ   LYS  76          HZ3       LYS  76  10.668   1.439 -18.464
  621    H    SER  77           H        SER  77  14.287  -2.077 -11.993
  622    HA   SER  77           HA       SER  77  16.091   0.152 -11.877
  623   1HB   SER  77          2HB       SER  77  16.435  -1.276  -9.533
  624   2HB   SER  77          3HB       SER  77  15.271   0.026  -9.783
  625    HG   SER  77           HG       SER  77  13.758  -1.399  -9.564
  626    H    GLY  78           H        GLY  78  16.353  -3.356 -11.955
  627   1HA   GLY  78          1HA       GLY  78  18.281  -4.419 -12.930
  628   2HA   GLY  78          2HA       GLY  78  19.252  -3.057 -12.382
  629    H    LEU  79           H        LEU  79  17.580  -5.967 -11.408
  630    HA   LEU  79           HA       LEU  79  19.191  -5.975  -8.944
  631   1HB   LEU  79          2HB       LEU  79  16.272  -6.501  -9.310
  632   2HB   LEU  79          3HB       LEU  79  17.146  -7.306  -8.019
  633    HG   LEU  79           HG       LEU  79  17.626  -4.423  -8.117
  634   1HD1  LEU  79          1HD1      LEU  79  14.844  -5.487  -7.699
  635   2HD1  LEU  79          2HD1      LEU  79  15.387  -3.925  -7.085
  636   3HD1  LEU  79          3HD1      LEU  79  15.372  -4.233  -8.821
  637   1HD2  LEU  79          1HD2      LEU  79  17.915  -6.435  -6.305
  638   2HD2  LEU  79          2HD2      LEU  79  17.915  -4.715  -5.916
  639   3HD2  LEU  79          3HD2      LEU  79  16.435  -5.657  -5.745
  640    H    ASP  80           H        ASP  80  19.990  -7.942  -8.253
  641    HA   ASP  80           HA       ASP  80  19.525 -10.262  -9.995
  642   1HB   ASP  80          2HB       ASP  80  21.839  -8.863 -10.103
  643   2HB   ASP  80          3HB       ASP  80  22.212  -9.934  -8.758
  644    HA   PRO  81           HA       PRO  81  18.577 -12.263  -6.198
  645   1HB   PRO  81          2HB       PRO  81  19.199 -14.851  -6.784
  646   2HB   PRO  81          3HB       PRO  81  17.770 -14.018  -7.418
  647   1HG   PRO  81          2HG       PRO  81  20.427 -14.488  -8.721
  648   2HG   PRO  81          3HG       PRO  81  18.800 -14.669  -9.404
  649   1HD   PRO  81          2HD       PRO  81  20.304 -12.500  -9.900
  650   2HD   PRO  81          3HD       PRO  81  18.541 -12.393  -9.718
  651    H    GLU  82           H        GLU  82  21.691 -11.641  -6.933
  652    HA   GLU  82           HA       GLU  82  22.651 -13.072  -4.555
  653   1HB   GLU  82          2HB       GLU  82  24.922 -12.932  -5.500
  654   2HB   GLU  82          3HB       GLU  82  23.841 -13.859  -6.531
  655   1HG   GLU  82          2HG       GLU  82  24.123 -12.477  -8.246
  656   2HG   GLU  82          3HG       GLU  82  23.902 -11.046  -7.240
  657    H    LYS  83           H        LYS  83  21.303 -10.404  -5.120
  658    HA   LYS  83           HA       LYS  83  23.346  -8.643  -3.950
  659   1HB   LYS  83          2HB       LYS  83  20.886  -8.010  -5.583
  660   2HB   LYS  83          3HB       LYS  83  21.830  -6.787  -4.745
  661   1HG   LYS  83          2HG       LYS  83  22.937  -8.637  -6.846
  662   2HG   LYS  83          3HG       LYS  83  22.360  -6.997  -7.155
  663   1HD   LYS  83          2HD       LYS  83  24.368  -6.219  -6.609
  664   2HD   LYS  83          3HD       LYS  83  24.136  -6.839  -4.973
  665   1HE   LYS  83          2HE       LYS  83  24.831  -9.008  -6.682
  666   2HE   LYS  83          3HE       LYS  83  25.983  -7.701  -6.940
  667   1HZ   LYS  83          HZ1       LYS  83  25.916  -7.687  -4.309
  668   2HZ   LYS  83          HZ2       LYS  83  25.513  -9.320  -4.558
  669   3HZ   LYS  83          HZ3       LYS  83  26.962  -8.699  -5.181
  670    HA   PRO  84           HA       PRO  84  20.725  -8.780  -0.319
  671   1HB   PRO  84          2HB       PRO  84  22.455  -6.814   0.892
  672   2HB   PRO  84          3HB       PRO  84  22.327  -8.534   1.260
  673   1HG   PRO  84          2HG       PRO  84  24.524  -7.375   0.107
  674   2HG   PRO  84          3HG       PRO  84  24.084  -9.078  -0.095
  675   1HD   PRO  84          2HD       PRO  84  23.643  -6.768  -1.945
  676   2HD   PRO  84          3HD       PRO  84  24.119  -8.442  -2.315
  677    H    VAL  85           H        VAL  85  18.918  -7.638   0.003
  678    HA   VAL  85           HA       VAL  85  18.970  -4.734  -0.418
  679    HB   VAL  85           HB       VAL  85  16.548  -5.222  -1.425
  680   1HG1  VAL  85          1HG1      VAL  85  18.923  -4.269  -2.391
  681   2HG1  VAL  85          2HG1      VAL  85  18.566  -5.591  -3.504
  682   3HG1  VAL  85          3HG1      VAL  85  17.395  -4.292  -3.272
  683   1HG2  VAL  85          1HG2      VAL  85  18.168  -7.656  -2.137
  684   2HG2  VAL  85          2HG2      VAL  85  16.589  -7.595  -1.352
  685   3HG2  VAL  85          3HG2      VAL  85  16.750  -7.127  -3.045
  686    H    VAL  86           H        VAL  86  17.336  -3.576   0.657
  687    HA   VAL  86           HA       VAL  86  15.763  -5.116   2.608
  688    HB   VAL  86           HB       VAL  86  17.552  -4.161   3.892
  689   1HG1  VAL  86          1HG1      VAL  86  18.082  -2.429   2.095
  690   2HG1  VAL  86          2HG1      VAL  86  16.899  -1.406   2.910
  691   3HG1  VAL  86          3HG1      VAL  86  18.329  -1.964   3.777
  692   1HG2  VAL  86          1HG2      VAL  86  14.840  -3.317   4.259
  693   2HG2  VAL  86          2HG2      VAL  86  16.063  -3.703   5.472
  694   3HG2  VAL  86          3HG2      VAL  86  15.936  -2.060   4.836
  695    H    VAL  87           H        VAL  87  13.687  -4.305   3.007
  696    HA   VAL  87           HA       VAL  87  12.818  -2.224   1.109
  697    HB   VAL  87           HB       VAL  87  10.525  -3.268   1.377
  698   1HG1  VAL  87          1HG1      VAL  87  12.767  -4.836   0.119
  699   2HG1  VAL  87          2HG1      VAL  87  11.058  -5.184  -0.147
  700   3HG1  VAL  87          3HG1      VAL  87  11.730  -3.630  -0.644
  701   1HG2  VAL  87          1HG2      VAL  87  12.164  -5.419   2.704
  702   2HG2  VAL  87          2HG2      VAL  87  10.799  -4.531   3.382
  703   3HG2  VAL  87          3HG2      VAL  87  10.538  -5.675   2.065
  704    H    PHE  88           H        PHE  88  11.517  -0.559   1.805
  705    HA   PHE  88           HA       PHE  88  11.305  -0.273   4.729
  706   1HB   PHE  88          2HB       PHE  88  12.642   1.369   3.121
  707   2HB   PHE  88          3HB       PHE  88  11.043   2.075   2.895
  708    HD1  PHE  88           HD1      PHE  88  12.564   0.582   5.937
  709    HD2  PHE  88           HD2      PHE  88  11.137   4.112   4.030
  710    HE1  PHE  88           HE1      PHE  88  12.759   1.804   8.054
  711    HE2  PHE  88           HE2      PHE  88  11.329   5.330   6.144
  712    HZ   PHE  88           HZ       PHE  88  12.140   4.180   8.161
  713    H    CYS  89           H        CYS  89   9.391   0.878   5.574
  714    HA   CYS  89           HA       CYS  89   7.185   1.227   5.818
  715   1HB   CYS  89          2HB       CYS  89   7.633   1.756   2.973
  716   2HB   CYS  89          3HB       CYS  89   5.976   1.298   3.359
  717    H    LYS  90           H        LYS  90   7.597  -1.117   6.508
  718    HA   LYS  90           HA       LYS  90   6.821  -3.279   4.952
  719   1HB   LYS  90          2HB       LYS  90   6.571  -4.477   7.162
  720   2HB   LYS  90          3HB       LYS  90   8.121  -3.705   6.875
  721   1HG   LYS  90          2HG       LYS  90   7.920  -2.695   8.833
  722   2HG   LYS  90          3HG       LYS  90   6.548  -1.792   8.184
  723   1HD   LYS  90          2HD       LYS  90   4.994  -3.221   9.120
  724   2HD   LYS  90          3HD       LYS  90   6.132  -4.568   9.205
  725   1HE   LYS  90          2HE       LYS  90   6.066  -3.998  11.410
  726   2HE   LYS  90          3HE       LYS  90   7.376  -2.946  10.879
  727   1HZ   LYS  90          HZ1       LYS  90   4.534  -2.102  11.099
  728   2HZ   LYS  90          HZ2       LYS  90   5.712  -1.816  12.281
  729   3HZ   LYS  90          HZ3       LYS  90   5.860  -1.108  10.746
  730    H    THR  91           H        THR  91   4.872  -1.552   7.383
  731    HA   THR  91           HA       THR  91   2.751  -3.378   7.171
  732    HB   THR  91           HB       THR  91   1.893  -0.899   8.340
  733    HG1  THR  91           HG1      THR  91   3.649  -0.264   9.342
  734   1HG2  THR  91          1HG2      THR  91   2.337  -3.727   9.118
  735   2HG2  THR  91          2HG2      THR  91   2.291  -2.537  10.421
  736   3HG2  THR  91          3HG2      THR  91   0.914  -2.705   9.331
  737    H    ALA  92           H        ALA  92   2.049   0.066   6.894
  738    HA   ALA  92           HA       ALA  92  -0.283  -0.289   5.496
  739   1HB   ALA  92          1HB       ALA  92   1.527   2.097   5.699
  740   2HB   ALA  92          2HB       ALA  92  -0.025   2.159   4.863
  741   3HB   ALA  92          3HB       ALA  92   0.036   1.765   6.582
  742    H    ALA  93           H        ALA  93   2.770   0.863   4.071
  743    HA   ALA  93           HA       ALA  93   1.862   0.844   1.407
  744   1HB   ALA  93          1HB       ALA  93   4.069   1.768   2.702
  745   2HB   ALA  93          2HB       ALA  93   4.729   0.424   1.769
  746   3HB   ALA  93          3HB       ALA  93   3.863   1.725   0.950
  747    H    ARG  94           H        ARG  94   3.129  -1.616   3.458
  748    HA   ARG  94           HA       ARG  94   3.188  -3.866   3.279
  749   1HB   ARG  94          2HB       ARG  94   1.373  -3.145   1.214
  750   2HB   ARG  94          3HB       ARG  94   2.441  -4.382   0.571
  751   1HG   ARG  94          2HG       ARG  94   0.305  -4.579   2.556
  752   2HG   ARG  94          3HG       ARG  94   0.965  -5.799   1.468
  753   1HD   ARG  94          2HD       ARG  94   1.844  -6.731   3.298
  754   2HD   ARG  94          3HD       ARG  94   3.007  -5.405   3.271
  755    HE   ARG  94           HE       ARG  94   1.307  -4.213   4.735
  756   1HH1  ARG  94          1HH1      ARG  94   1.721  -7.693   4.742
  757   2HH1  ARG  94          2HH1      ARG  94   1.168  -7.890   6.373
  758   1HH2  ARG  94          1HH2      ARG  94   0.564  -4.465   6.875
  759   2HH2  ARG  94          2HH2      ARG  94   0.498  -6.043   7.588
  760    H    ALA  95           H        ALA  95   5.528  -2.857   3.158
  761    HA   ALA  95           HA       ALA  95   7.068  -3.388   0.816
  762   1HB   ALA  95          1HB       ALA  95   7.810  -3.134   3.722
  763   2HB   ALA  95          2HB       ALA  95   8.993  -3.484   2.461
  764   3HB   ALA  95          3HB       ALA  95   8.080  -1.978   2.419
  765    H    ALA  96           H        ALA  96   5.635  -5.296   3.243
  766    HA   ALA  96           HA       ALA  96   7.244  -7.588   3.231
  767   1HB   ALA  96          1HB       ALA  96   4.740  -6.820   4.302
  768   2HB   ALA  96          2HB       ALA  96   4.509  -8.350   3.454
  769   3HB   ALA  96          3HB       ALA  96   5.727  -8.221   4.723
  770    H    LEU  97           H        LEU  97   4.796  -6.439   0.979
  771    HA   LEU  97           HA       LEU  97   4.703  -8.878  -0.541
  772   1HB   LEU  97          2HB       LEU  97   3.511  -6.191  -0.749
  773   2HB   LEU  97          3HB       LEU  97   3.860  -6.963  -2.291
  774    HG   LEU  97           HG       LEU  97   1.530  -7.310  -1.448
  775   1HD1  LEU  97          1HD1      LEU  97   3.310  -9.141  -2.630
  776   2HD1  LEU  97          2HD1      LEU  97   2.330 -10.053  -1.482
  777   3HD1  LEU  97          3HD1      LEU  97   1.550  -9.104  -2.748
  778   1HD2  LEU  97          1HD2      LEU  97   3.029  -8.409   0.836
  779   2HD2  LEU  97          2HD2      LEU  97   1.425  -7.676   0.771
  780   3HD2  LEU  97          3HD2      LEU  97   1.646  -9.361   0.296
  781    H    ALA  98           H        ALA  98   6.589  -5.957  -0.534
  782    HA   ALA  98           HA       ALA  98   7.682  -6.275  -3.137
  783   1HB   ALA  98          1HB       ALA  98   8.237  -4.503  -0.801
  784   2HB   ALA  98          2HB       ALA  98   9.377  -4.566  -2.145
  785   3HB   ALA  98          3HB       ALA  98   7.705  -4.082  -2.429
  786    H    GLY  99           H        GLY  99   8.797  -7.038   0.122
  787   1HA   GLY  99          1HA       GLY  99  11.373  -7.900  -0.903
  788   2HA   GLY  99          2HA       GLY  99  10.911  -7.774   0.784
  789    H    LYS 100           H        LYS 100   8.697  -9.407   0.885
  790    HA   LYS 100           HA       LYS 100   9.961 -11.868   1.232
  791   1HB   LYS 100          2HB       LYS 100   8.098 -12.484   2.336
  792   2HB   LYS 100          3HB       LYS 100   7.665 -10.792   2.158
  793   1HG   LYS 100          2HG       LYS 100   6.190 -11.250   0.380
  794   2HG   LYS 100          3HG       LYS 100   6.839 -12.876   0.157
  795   1HD   LYS 100          2HD       LYS 100   6.020 -12.874   2.790
  796   2HD   LYS 100          3HD       LYS 100   4.778 -11.919   1.978
  797   1HE   LYS 100          2HE       LYS 100   4.404 -14.437   2.118
  798   2HE   LYS 100          3HE       LYS 100   4.205 -13.677   0.541
  799   1HZ   LYS 100          HZ1       LYS 100   6.805 -14.848   1.303
  800   2HZ   LYS 100          HZ2       LYS 100   5.553 -15.843   0.732
  801   3HZ   LYS 100          HZ3       LYS 100   6.149 -14.592  -0.246
  802    H    THR 101           H        THR 101   8.374 -10.571  -1.529
  803    HA   THR 101           HA       THR 101   7.826 -12.948  -2.948
  804    HB   THR 101           HB       THR 101   8.326 -11.129  -4.848
  805    HG1  THR 101           HG1      THR 101   7.352  -9.228  -3.277
  806   1HG2  THR 101          1HG2      THR 101   5.926 -11.369  -3.063
  807   2HG2  THR 101          2HG2      THR 101   5.945 -10.306  -4.472
  808   3HG2  THR 101          3HG2      THR 101   6.159 -12.045  -4.674
  809    H    LEU 102           H        LEU 102  10.491 -10.621  -2.961
  810    HA   LEU 102           HA       LEU 102  11.997 -11.756  -4.968
  811   1HB   LEU 102          2HB       LEU 102  12.745 -10.042  -2.620
  812   2HB   LEU 102          3HB       LEU 102  13.948 -10.570  -3.780
  813    HG   LEU 102           HG       LEU 102  11.508  -8.903  -4.400
  814   1HD1  LEU 102          1HD1      LEU 102  14.405  -8.266  -4.016
  815   2HD1  LEU 102          2HD1      LEU 102  13.394  -7.275  -5.068
  816   3HD1  LEU 102          3HD1      LEU 102  12.984  -7.451  -3.362
  817   1HD2  LEU 102          1HD2      LEU 102  13.140 -10.546  -6.079
  818   2HD2  LEU 102          2HD2      LEU 102  11.750  -9.548  -6.504
  819   3HD2  LEU 102          3HD2      LEU 102  13.371  -8.849  -6.504
  820    H    ARG 103           H        ARG 103  12.104 -12.419  -1.479
  821    HA   ARG 103           HA       ARG 103  14.274 -14.281  -1.696
  822   1HB   ARG 103          2HB       ARG 103  13.368 -15.027   0.624
  823   2HB   ARG 103          3HB       ARG 103  14.121 -13.448   0.456
  824   1HG   ARG 103          2HG       ARG 103  12.186 -12.335   0.817
  825   2HG   ARG 103          3HG       ARG 103  11.188 -13.597   0.098
  826   1HD   ARG 103          2HD       ARG 103  12.616 -14.276   2.588
  827   2HD   ARG 103          3HD       ARG 103  11.291 -13.123   2.720
  828    HE   ARG 103           HE       ARG 103   9.782 -14.785   2.002
  829   1HH1  ARG 103          1HH1      ARG 103  13.056 -15.987   2.431
  830   2HH1  ARG 103          2HH1      ARG 103  12.568 -17.657   2.394
  831   1HH2  ARG 103          1HH2      ARG 103   9.150 -16.952   1.997
  832   2HH2  ARG 103          2HH2      ARG 103  10.343 -18.207   2.132
  833    H    GLU 104           H        GLU 104  10.839 -14.438  -2.073
  834    HA   GLU 104           HA       GLU 104  10.635 -17.304  -1.954
  835   1HB   GLU 104          2HB       GLU 104   8.837 -15.040  -2.464
  836   2HB   GLU 104          3HB       GLU 104   8.473 -16.464  -3.428
  837   1HG   GLU 104          2HG       GLU 104   8.826 -17.558  -0.966
  838   2HG   GLU 104          3HG       GLU 104   8.133 -15.988  -0.562
  839    H    TYR 105           H        TYR 105  11.970 -15.166  -4.148
  840    HA   TYR 105           HA       TYR 105  11.518 -16.960  -6.430
  841   1HB   TYR 105          HB2       TYR 105  12.766 -14.201  -6.392
  842   2HB   TYR 105          HB3       TYR 105  12.471 -15.178  -7.828
  843    HD1  TYR 105           HD1      TYR 105   9.698 -16.200  -6.829
  844    HD2  TYR 105           HD2      TYR 105  11.441 -12.326  -7.126
  845    HE1  TYR 105           HE1      TYR 105   7.452 -15.209  -7.025
  846    HE2  TYR 105           HE2      TYR 105   9.202 -11.329  -7.322
  847    HH   TYR 105           HH       TYR 105   6.592 -12.502  -6.394
  848    H    GLY 106           H        GLY 106  14.036 -15.468  -4.447
  849   1HA   GLY 106          1HA       GLY 106  15.684 -17.415  -3.962
  850   2HA   GLY 106          2HA       GLY 106  16.025 -17.255  -5.675
  851    H    PHE 107           H        PHE 107  15.445 -14.677  -3.304
  852    HA   PHE 107           HA       PHE 107  17.978 -13.474  -4.077
  853   1HB   PHE 107          2HB       PHE 107  15.503 -12.526  -2.762
  854   2HB   PHE 107          3HB       PHE 107  16.997 -11.778  -2.204
  855    HD1  PHE 107           HD1      PHE 107  15.487 -12.792  -5.462
  856    HD2  PHE 107           HD2      PHE 107  17.543  -9.807  -3.237
  857    HE1  PHE 107           HE1      PHE 107  15.460 -11.322  -7.427
  858    HE2  PHE 107           HE2      PHE 107  17.526  -8.326  -5.205
  859    HZ   PHE 107           HZ       PHE 107  16.481  -9.083  -7.305
  860    H    LYS 108           H        LYS 108  19.715 -13.265  -2.785
  861    HA   LYS 108           HA       LYS 108  20.182 -15.247  -0.904
  862   1HB   LYS 108          2HB       LYS 108  21.644 -12.830  -1.825
  863   2HB   LYS 108          3HB       LYS 108  22.191 -13.577  -0.330
  864   1HG   LYS 108          2HG       LYS 108  22.398 -15.731  -1.541
  865   2HG   LYS 108          3HG       LYS 108  21.980 -14.886  -3.033
  866   1HD   LYS 108          2HD       LYS 108  24.181 -14.548  -3.266
  867   2HD   LYS 108          3HD       LYS 108  23.999 -13.334  -2.000
  868   1HE   LYS 108          2HE       LYS 108  24.214 -15.703  -0.598
  869   2HE   LYS 108          3HE       LYS 108  25.344 -15.913  -1.937
  870   1HZ   LYS 108          HZ1       LYS 108  26.278 -13.698  -1.328
  871   2HZ   LYS 108          HZ2       LYS 108  25.314 -13.723   0.069
  872   3HZ   LYS 108          HZ3       LYS 108  26.513 -14.899  -0.152
  873    H    THR 109           H        THR 109  20.429 -11.790  -0.079
  874    HA   THR 109           HA       THR 109  19.219 -12.440   2.522
  875    HB   THR 109           HB       THR 109  21.234 -10.250   2.351
  876    HG1  THR 109           HG1      THR 109  22.475 -12.539   3.028
  877   1HG2  THR 109          1HG2      THR 109  20.053 -12.050   4.378
  878   2HG2  THR 109          2HG2      THR 109  21.754 -11.636   4.599
  879   3HG2  THR 109          3HG2      THR 109  20.540 -10.358   4.507
  880    H    ILE 110           H        ILE 110  17.286 -11.537   2.515
  881    HA   ILE 110           HA       ILE 110  17.061  -8.754   1.592
  882    HB   ILE 110           HB       ILE 110  15.798 -10.520   0.261
  883   1HG1  ILE 110          2HG1      ILE 110  13.676  -8.727   1.156
  884   2HG1  ILE 110          3HG1      ILE 110  15.205  -7.896   0.878
  885   1HG2  ILE 110          1HG2      ILE 110  14.208 -10.615   2.807
  886   2HG2  ILE 110          2HG2      ILE 110  13.532 -11.081   1.244
  887   3HG2  ILE 110          3HG2      ILE 110  14.918 -11.952   1.902
  888   1HD1  ILE 110          1HD1      ILE 110  14.665  -9.726  -1.264
  889   2HD1  ILE 110          2HD1      ILE 110  13.301  -8.633  -1.015
  890   3HD1  ILE 110          3HD1      ILE 110  14.911  -7.978  -1.308
  891    H    TYR 111           H        TYR 111  16.315  -7.266   2.996
  892    HA   TYR 111           HA       TYR 111  15.458  -8.255   5.637
  893   1HB   TYR 111          HB2       TYR 111  16.622  -5.520   5.161
  894   2HB   TYR 111          HB3       TYR 111  16.526  -6.425   6.664
  895    HD1  TYR 111           HD1      TYR 111  18.326  -6.139   3.443
  896    HD2  TYR 111           HD2      TYR 111  18.264  -7.911   7.319
  897    HE1  TYR 111           HE1      TYR 111  20.650  -6.884   3.135
  898    HE2  TYR 111           HE2      TYR 111  20.587  -8.663   7.014
  899    HH   TYR 111           HH       TYR 111  22.596  -7.952   5.641
  900    H    ASN 112           H        ASN 112  13.756  -7.248   6.676
  901    HA   ASN 112           HA       ASN 112  12.224  -5.299   5.076
  902   1HB   ASN 112          2HB       ASN 112  11.186  -7.663   5.700
  903   2HB   ASN 112          3HB       ASN 112  10.899  -6.876   7.248
  904   1HD2  ASN 112          1HD2      ASN 112   9.244  -7.761   4.786
  905   2HD2  ASN 112          2HD2      ASN 112   8.189  -6.406   4.539
  906    H    SER 113           H        SER 113  11.603  -3.433   6.128
  907    HA   SER 113           HA       SER 113  13.124  -2.936   8.555
  908   1HB   SER 113          2HB       SER 113  11.659  -0.971   6.795
  909   2HB   SER 113          3HB       SER 113  12.853  -0.591   8.038
  910    HG   SER 113           HG       SER 113  13.243  -1.894   5.554
  911    H    GLU 114           H        GLU 114  12.154  -3.236  10.424
  912    HA   GLU 114           HA       GLU 114   9.372  -3.270  10.865
  913   1HB   GLU 114          2HB       GLU 114  11.052  -4.378  12.328
  914   2HB   GLU 114          3HB       GLU 114  11.585  -2.796  12.876
  915   1HG   GLU 114          2HG       GLU 114  10.174  -3.257  14.568
  916   2HG   GLU 114          3HG       GLU 114   8.995  -2.575  13.452
  917    H    GLY 115           H        GLY 115   8.043  -1.757  11.915
  918   1HA   GLY 115          1HA       GLY 115   7.447   0.381  12.691
  919   2HA   GLY 115          2HA       GLY 115   9.034   0.971  12.208
  920    H    GLY 116           H        GLY 116   9.192   2.058  10.369
  921   1HA   GLY 116          1HA       GLY 116   8.090   1.632   7.941
  922   2HA   GLY 116          2HA       GLY 116   6.819   2.505   8.789
  923    H    MET 117           H        MET 117   7.163   4.143   7.111
  924    HA   MET 117           HA       MET 117   9.569   5.553   6.783
  925   1HB   MET 117          2HB       MET 117   7.446   5.634   5.343
  926   2HB   MET 117          3HB       MET 117   6.840   6.803   6.509
  927   1HG   MET 117          2HG       MET 117   7.785   7.923   4.589
  928   2HG   MET 117          3HG       MET 117   8.736   8.266   6.034
  929   1HE   MET 117          1HE       MET 117   8.468   5.688   3.076
  930   2HE   MET 117          2HE       MET 117   8.858   7.263   2.385
  931   3HE   MET 117          3HE       MET 117  10.035   5.952   2.307
  932    H    ASP 118           H        ASP 118   7.010   5.828   9.127
  933    HA   ASP 118           HA       ASP 118   7.639   8.330  10.206
  934   1HB   ASP 118          2HB       ASP 118   6.142   7.823  11.918
  935   2HB   ASP 118          3HB       ASP 118   5.567   6.820  10.593
  936    H    LYS 119           H        LYS 119   9.002   5.125  10.797
  937    HA   LYS 119           HA       LYS 119  10.448   5.894  13.121
  938   1HB   LYS 119          2HB       LYS 119  10.096   3.505  11.498
  939   2HB   LYS 119          3HB       LYS 119  11.760   3.706  12.028
  940   1HG   LYS 119          2HG       LYS 119  10.878   2.478  13.748
  941   2HG   LYS 119          3HG       LYS 119  10.668   4.122  14.359
  942   1HD   LYS 119          2HD       LYS 119   8.356   3.887  13.071
  943   2HD   LYS 119          3HD       LYS 119   8.645   2.176  13.390
  944   1HE   LYS 119          2HE       LYS 119   7.643   2.608  15.349
  945   2HE   LYS 119          3HE       LYS 119   9.218   3.258  15.806
  946   1HZ   LYS 119          HZ1       LYS 119   7.225   4.992  14.491
  947   2HZ   LYS 119          HZ2       LYS 119   7.125   4.685  16.156
  948   3HZ   LYS 119          HZ3       LYS 119   8.514   5.414  15.517
  949    H    TRP 120           H        TRP 120  11.127   5.888   9.670
  950    HA   TRP 120           HA       TRP 120  13.925   6.194   9.871
  951   1HB   TRP 120          HB2       TRP 120  12.506   5.677   7.772
  952   2HB   TRP 120          HB3       TRP 120  12.305   7.421   7.649
  953    HD1  TRP 120           HD1      TRP 120  14.354   8.836   6.875
  954    HE1  TRP 120           HE1      TRP 120  16.646   8.252   5.863
  955    HE3  TRP 120           HE3      TRP 120  14.369   3.805   7.743
  956    HZ2  TRP 120           HZ2      TRP 120  18.227   5.966   5.444
  957    HZ3  TRP 120           HZ3      TRP 120  16.306   2.487   6.989
  958    HH2  TRP 120           HH2      TRP 120  18.194   3.548   5.862
  959    H    LEU 121           H        LEU 121  11.351   8.661   9.402
  960    HA   LEU 121           HA       LEU 121  13.036  10.880   9.587
  961   1HB   LEU 121          2HB       LEU 121  10.111  10.379   9.914
  962   2HB   LEU 121          3HB       LEU 121  10.749  11.927  10.427
  963    HG   LEU 121           HG       LEU 121  11.046  10.824   7.624
  964   1HD1  LEU 121          1HD1      LEU 121   9.003  12.645   8.852
  965   2HD1  LEU 121          2HD1      LEU 121   9.357  12.650   7.124
  966   3HD1  LEU 121          3HD1      LEU 121   8.749  11.187   7.894
  967   1HD2  LEU 121          1HD2      LEU 121  11.913  13.300   9.020
  968   2HD2  LEU 121          2HD2      LEU 121  12.712  12.377   7.747
  969   3HD2  LEU 121          3HD2      LEU 121  11.361  13.438   7.350
  970    H    GLU 122           H        GLU 122  11.162   9.162  12.078
  971    HA   GLU 122           HA       GLU 122  11.736  11.080  14.080
  972   1HB   GLU 122          2HB       GLU 122  10.172  10.017  15.272
  973   2HB   GLU 122          3HB       GLU 122   9.889   9.097  13.803
  974   1HG   GLU 122          2HG       GLU 122  11.601   7.448  14.695
  975   2HG   GLU 122          3HG       GLU 122  11.455   8.298  16.232
  976    H    GLU 123           H        GLU 123  13.323   8.054  13.212
  977    HA   GLU 123           HA       GLU 123  14.812   7.916  15.649
  978   1HB   GLU 123          2HB       GLU 123  14.974   6.442  13.037
  979   2HB   GLU 123          3HB       GLU 123  16.182   6.203  14.292
  980   1HG   GLU 123          2HG       GLU 123  13.463   6.018  15.304
  981   2HG   GLU 123          3HG       GLU 123  13.806   4.842  14.035
  982    H    GLY 124           H        GLY 124  15.044  10.126  13.315
  983   1HA   GLY 124          1HA       GLY 124  16.638  11.773  13.037
  984   2HA   GLY 124          2HA       GLY 124  17.689  10.887  14.131
  985    H    LEU 125           H        LEU 125  16.397   9.122  11.515
  986    HA   LEU 125           HA       LEU 125  19.008   8.671  10.447
  987   1HB   LEU 125          2HB       LEU 125  16.263   7.761   9.606
  988   2HB   LEU 125          3HB       LEU 125  17.725   7.298   8.755
  989    HG   LEU 125           HG       LEU 125  17.210   6.698  11.668
  990   1HD1  LEU 125          1HD1      LEU 125  16.316   5.395   9.221
  991   2HD1  LEU 125          2HD1      LEU 125  17.190   4.322  10.321
  992   3HD1  LEU 125          3HD1      LEU 125  15.762   5.192  10.886
  993   1HD2  LEU 125          1HD2      LEU 125  19.583   6.821  10.989
  994   2HD2  LEU 125          2HD2      LEU 125  19.092   5.191  11.453
  995   3HD2  LEU 125          3HD2      LEU 125  19.266   5.607   9.749
  996    HA   PRO 126           HA       PRO 126  19.322  11.678   7.238
  997   1HB   PRO 126          2HB       PRO 126  20.151  10.111   5.136
  998   2HB   PRO 126          3HB       PRO 126  21.216  10.674   6.432
  999   1HG   PRO 126          2HG       PRO 126  19.788   8.043   6.162
 1000   2HG   PRO 126          3HG       PRO 126  21.484   8.353   6.607
 1001   1HD   PRO 126          2HD       PRO 126  19.706   7.815   8.492
 1002   2HD   PRO 126          3HD       PRO 126  20.903   9.105   8.750
 1003    H    SER 127           H        SER 127  17.394  12.475   6.542
 1004    HA   SER 127           HA       SER 127  15.904  10.833   4.618
 1005   1HB   SER 127          2HB       SER 127  14.128  12.717   5.702
 1006   2HB   SER 127          3HB       SER 127  14.149  10.982   6.017
 1007    HG   SER 127           HG       SER 127  15.724  11.479   7.707
 1008    H    LEU 128           H        LEU 128  15.050  11.925   2.833
 1009    HA   LEU 128           HA       LEU 128  16.221  14.564   2.322
 1010   1HB   LEU 128          2HB       LEU 128  15.752  12.251   0.712
 1011   2HB   LEU 128          3HB       LEU 128  14.769  13.563   0.088
 1012    HG   LEU 128           HG       LEU 128  17.604  14.198   0.662
 1013   1HD1  LEU 128          1HD1      LEU 128  17.666  11.936  -0.376
 1014   2HD1  LEU 128          2HD1      LEU 128  16.823  12.605  -1.773
 1015   3HD1  LEU 128          3HD1      LEU 128  18.430  13.196  -1.342
 1016   1HD2  LEU 128          1HD2      LEU 128  15.715  15.671  -0.357
 1017   2HD2  LEU 128          2HD2      LEU 128  17.343  15.739  -1.031
 1018   3HD2  LEU 128          3HD2      LEU 128  16.092  14.797  -1.842
 1019    H    ASP 129           H        ASP 129  14.910  16.001   3.254
 1020    HA   ASP 129           HA       ASP 129  12.061  15.914   2.540
 1021   1HB   ASP 129          2HB       ASP 129  11.410  15.860   4.697
 1022   2HB   ASP 129          3HB       ASP 129  13.062  15.387   5.069
 1023    H    ARG 130           H        ARG 130  11.087  17.892   2.120
 1024    HA   ARG 130           HA       ARG 130  12.927  20.046   1.548
 1025   1HB   ARG 130          2HB       ARG 130  10.868  19.176   0.147
 1026   2HB   ARG 130          3HB       ARG 130   9.960  20.258   1.194
 1027   1HG   ARG 130          2HG       ARG 130  12.080  21.808   0.348
 1028   2HG   ARG 130          3HG       ARG 130  11.660  20.854  -1.077
 1029   1HD   ARG 130          2HD       ARG 130   9.799  22.028  -1.412
 1030   2HD   ARG 130          3HD       ARG 130   9.300  21.840   0.269
 1031    HE   ARG 130           HE       ARG 130  11.263  23.735   0.361
 1032   1HH1  ARG 130          1HH1      ARG 130   8.232  23.424  -1.386
 1033   2HH1  ARG 130          2HH1      ARG 130   7.987  25.144  -1.481
 1034   1HH2  ARG 130          1HH2      ARG 130  10.926  25.972   0.224
 1035   2HH2  ARG 130          2HH2      ARG 130   9.504  26.584  -0.572
 1036    H    SER 131           H        SER 131  13.370  20.203   3.908
 1037    HA   SER 131           HA       SER 131  11.537  21.000   5.819
 1038   1HB   SER 131          2HB       SER 131  14.162  22.233   6.161
 1039   2HB   SER 131          3HB       SER 131  13.357  21.010   7.146
 1040    HG   SER 131           HG       SER 131  14.068  19.419   5.699
 1041    H    HIS 132           H        HIS 132  10.143  22.615   5.486
 1042    HA   HIS 132           HA       HIS 132  11.240  25.222   4.666
 1043   1HB   HIS 132          2HB       HIS 132   9.133  25.694   3.525
 1044   2HB   HIS 132          3HB       HIS 132   9.860  24.226   2.889
 1045    HD1  HIS 132           HD1      HIS 132   8.670  21.946   3.547
 1046    HD2  HIS 132           HD2      HIS 132   6.614  25.405   4.612
 1047    HE1  HIS 132           HE1      HIS 132   6.311  21.214   4.045
 1048    HE2  HIS 132           HE2      HIS 132   5.063  23.336   4.606
 1049    H    HIS 133           H        HIS 133  10.728  26.969   5.843
 1050    HA   HIS 133           HA       HIS 133   8.966  26.535   8.175
 1051   1HB   HIS 133          2HB       HIS 133  11.551  26.944   8.428
 1052   2HB   HIS 133          3HB       HIS 133  11.114  28.625   8.144
 1053    HD1  HIS 133           HD1      HIS 133  10.405  29.921  10.137
 1054    HD2  HIS 133           HD2      HIS 133  10.138  25.814  10.758
 1055    HE1  HIS 133           HE1      HIS 133   9.794  29.637  12.560
 1056    HE2  HIS 133           HE2      HIS 133   9.882  27.152  12.957
 1057    H    HIS 134           H        HIS 134   9.151  28.060   5.278
 1058    HA   HIS 134           HA       HIS 134   8.049  30.619   6.005
 1059   1HB   HIS 134          2HB       HIS 134   9.505  30.045   3.948
 1060   2HB   HIS 134          3HB       HIS 134   8.016  29.432   3.237
 1061    HD1  HIS 134           HD1      HIS 134   9.512  32.647   4.563
 1062    HD2  HIS 134           HD2      HIS 134   6.408  31.346   2.121
 1063    HE1  HIS 134           HE1      HIS 134   8.546  34.726   3.529
 1064    HE2  HIS 134           HE2      HIS 134   6.610  33.926   2.122
 1065    H    HIS 135           H        HIS 135   6.340  29.327   7.283
 1066    HA   HIS 135           HA       HIS 135   3.865  29.574   5.878
 1067   1HB   HIS 135          2HB       HIS 135   3.799  27.461   5.068
 1068   2HB   HIS 135          3HB       HIS 135   5.106  26.923   6.108
 1069    HD1  HIS 135           HD1      HIS 135   1.328  27.419   6.184
 1070    HD2  HIS 135           HD2      HIS 135   4.331  25.349   8.202
 1071    HE1  HIS 135           HE1      HIS 135   0.145  25.859   7.761
 1072    HE2  HIS 135           HE2      HIS 135   1.976  24.777   9.108
 1073    H    HIS 136           H        HIS 136   2.349  30.179   7.257
 1074    HA   HIS 136           HA       HIS 136   2.729  29.605  10.128
 1075   1HB   HIS 136          2HB       HIS 136   0.840  31.771   9.431
 1076   2HB   HIS 136          3HB       HIS 136   2.013  31.681  10.736
 1077    HD1  HIS 136           HD1      HIS 136   1.377  33.273   7.535
 1078    HD2  HIS 136           HD2      HIS 136   4.720  32.381   9.844
 1079    HE1  HIS 136           HE1      HIS 136   3.225  34.724   6.643
 1080    HE2  HIS 136           HE2      HIS 136   5.279  34.007   7.912
 1081    H    HIS 137           H        HIS 137   0.326  30.253   7.627
 1082    HA   HIS 137           HA       HIS 137  -1.331  28.111   8.758
 1083   1HB   HIS 137          2HB       HIS 137  -2.083  30.836   7.920
 1084   2HB   HIS 137          3HB       HIS 137  -3.093  29.562   7.245
 1085    HD1  HIS 137           HD1      HIS 137  -2.686  27.817  10.018
 1086    HD2  HIS 137           HD2      HIS 137  -4.244  31.647   9.535
 1087    HE1  HIS 137           HE1      HIS 137  -4.132  28.227  12.037
 1088    HE2  HIS 137           HE2      HIS 137  -5.188  30.485  11.640
 1089   1H    ALA   1           H1       ALA   1  23.994 -12.576 -13.282
 1090   2H    ALA   1           H2       ALA   1  25.402 -11.966 -12.562
 1091   3H    ALA   1           H3       ALA   1  23.879 -11.468 -12.006
 1092    HA   ALA   1           HA       ALA   1  25.302  -9.989 -13.606
 1093   1HB   ALA   1          1HB       ALA   1  25.483 -11.686 -15.344
 1094   2HB   ALA   1          2HB       ALA   1  23.725 -11.763 -15.469
 1095   3HB   ALA   1          3HB       ALA   1  24.578 -10.289 -15.927
 1096    H    ASP   2           H        ASP   2  22.162 -11.001 -14.858
 1097    HA   ASP   2           HA       ASP   2  20.752  -9.141 -13.166
 1098   1HB   ASP   2          2HB       ASP   2  19.817  -7.761 -14.873
 1099   2HB   ASP   2          3HB       ASP   2  21.556  -7.767 -15.141
 1100    H    MET   3           H        MET   3  18.873  -9.983 -12.634
 1101    HA   MET   3           HA       MET   3  17.883 -12.251 -14.233
 1102   1HB   MET   3          2HB       MET   3  18.626 -12.188 -11.586
 1103   2HB   MET   3          3HB       MET   3  16.884 -11.980 -11.485
 1104   1HG   MET   3          2HG       MET   3  17.626 -14.327 -11.308
 1105   2HG   MET   3          3HG       MET   3  16.501 -14.035 -12.633
 1106   1HE   MET   3          1HE       MET   3  20.049 -13.626 -11.733
 1107   2HE   MET   3          2HE       MET   3  20.719 -15.142 -12.335
 1108   3HE   MET   3          3HE       MET   3  20.873 -13.669 -13.292
 1109    H    GLY   4           H        GLY   4  17.301  -9.336 -14.521
 1110   1HA   GLY   4          1HA       GLY   4  14.817  -8.638 -13.498
 1111   2HA   GLY   4          2HA       GLY   4  15.529  -7.984 -14.961
 1112    H    GLU   5           H        GLU   5  15.567 -10.098 -16.637
 1113    HA   GLU   5           HA       GLU   5  12.941 -10.202 -17.614
 1114   1HB   GLU   5          2HB       GLU   5  15.505 -11.125 -18.414
 1115   2HB   GLU   5          3HB       GLU   5  14.396 -12.484 -18.532
 1116   1HG   GLU   5          2HG       GLU   5  14.019 -11.636 -20.573
 1117   2HG   GLU   5          3HG       GLU   5  12.909 -10.582 -19.699
 1118    H    LYS   6           H        LYS   6  14.671 -12.277 -15.436
 1119    HA   LYS   6           HA       LYS   6  12.906 -14.482 -15.669
 1120   1HB   LYS   6          2HB       LYS   6  14.772 -13.981 -13.364
 1121   2HB   LYS   6          3HB       LYS   6  14.204 -15.524 -13.988
 1122   1HG   LYS   6          2HG       LYS   6  15.854 -13.676 -15.672
 1123   2HG   LYS   6          3HG       LYS   6  16.596 -14.801 -14.534
 1124   1HD   LYS   6          2HD       LYS   6  15.425 -16.661 -15.656
 1125   2HD   LYS   6          3HD       LYS   6  14.767 -15.513 -16.824
 1126   1HE   LYS   6          2HE       LYS   6  16.588 -16.199 -18.002
 1127   2HE   LYS   6          3HE       LYS   6  17.334 -14.892 -17.085
 1128   1HZ   LYS   6          HZ1       LYS   6  17.445 -17.241 -15.550
 1129   2HZ   LYS   6          HZ2       LYS   6  18.026 -17.594 -17.104
 1130   3HZ   LYS   6          HZ3       LYS   6  18.731 -16.345 -16.205
 1131    H    PHE   7           H        PHE   7  13.402 -12.230 -12.883
 1132    HA   PHE   7           HA       PHE   7  11.106 -13.388 -11.634
 1133   1HB   PHE   7          2HB       PHE   7  11.455 -11.546  -9.898
 1134   2HB   PHE   7          3HB       PHE   7  12.695 -12.774 -10.065
 1135    HD1  PHE   7           HD1      PHE   7  12.033  -9.578 -11.900
 1136    HD2  PHE   7           HD2      PHE   7  14.713 -11.882  -9.532
 1137    HE1  PHE   7           HE1      PHE   7  13.719  -7.797 -12.078
 1138    HE2  PHE   7           HE2      PHE   7  16.403 -10.108  -9.712
 1139    HZ   PHE   7           HZ       PHE   7  15.907  -8.058 -10.982
 1140    H    ASP   8           H        ASP   8  11.555 -10.659 -13.677
 1141    HA   ASP   8           HA       ASP   8   9.487  -8.981 -12.922
 1142   1HB   ASP   8          2HB       ASP   8  11.040  -8.362 -14.689
 1143   2HB   ASP   8          3HB       ASP   8  10.408  -9.629 -15.733
 1144    H    ALA   9           H        ALA   9   9.316 -11.873 -14.969
 1145    HA   ALA   9           HA       ALA   9   6.518 -11.644 -15.458
 1146   1HB   ALA   9          1HB       ALA   9   8.567 -13.781 -15.892
 1147   2HB   ALA   9          2HB       ALA   9   6.852 -14.130 -16.108
 1148   3HB   ALA   9          3HB       ALA   9   7.625 -12.876 -17.078
 1149    H    THR  10           H        THR  10   8.491 -13.282 -13.018
 1150    HA   THR  10           HA       THR  10   6.413 -14.883 -11.958
 1151    HB   THR  10           HB       THR  10   8.560 -14.011 -10.120
 1152    HG1  THR  10           HG1      THR  10   9.064 -15.396 -12.573
 1153   1HG2  THR  10          1HG2      THR  10   7.327 -16.617 -10.992
 1154   2HG2  THR  10          2HG2      THR  10   8.755 -16.549  -9.959
 1155   3HG2  THR  10          3HG2      THR  10   7.237 -15.837  -9.413
 1156    H    PHE  11           H        PHE  11   7.766 -11.742 -10.947
 1157    HA   PHE  11           HA       PHE  11   6.177 -11.333  -8.689
 1158   1HB   PHE  11          2HB       PHE  11   8.130  -9.907  -9.970
 1159   2HB   PHE  11          3HB       PHE  11   6.710  -8.919 -10.294
 1160    HD1  PHE  11           HD1      PHE  11   5.149  -8.704  -8.064
 1161    HD2  PHE  11           HD2      PHE  11   9.362  -9.280  -8.165
 1162    HE1  PHE  11           HE1      PHE  11   5.336  -7.719  -5.816
 1163    HE2  PHE  11           HE2      PHE  11   9.557  -8.298  -5.922
 1164    HZ   PHE  11           HZ       PHE  11   7.546  -7.519  -4.743
 1165    H    LYS  12           H        LYS  12   5.555 -10.714 -12.075
 1166    HA   LYS  12           HA       LYS  12   3.103  -9.345 -11.774
 1167   1HB   LYS  12          2HB       LYS  12   4.844 -10.036 -13.832
 1168   2HB   LYS  12          3HB       LYS  12   3.357 -10.876 -14.212
 1169   1HG   LYS  12          2HG       LYS  12   2.853  -8.934 -15.235
 1170   2HG   LYS  12          3HG       LYS  12   2.360  -8.458 -13.609
 1171   1HD   LYS  12          2HD       LYS  12   3.726  -6.703 -14.320
 1172   2HD   LYS  12          3HD       LYS  12   4.789  -7.687 -13.313
 1173   1HE   LYS  12          2HE       LYS  12   5.824  -8.666 -15.219
 1174   2HE   LYS  12          3HE       LYS  12   4.621  -7.975 -16.306
 1175   1HZ   LYS  12          HZ1       LYS  12   5.571  -5.772 -15.209
 1176   2HZ   LYS  12          HZ2       LYS  12   6.958  -6.744 -15.083
 1177   3HZ   LYS  12          HZ3       LYS  12   6.246  -6.462 -16.598
 1178    H    ALA  13           H        ALA  13   4.011 -12.684 -11.765
 1179    HA   ALA  13           HA       ALA  13   1.386 -13.722 -12.297
 1180   1HB   ALA  13          1HB       ALA  13   3.712 -14.859 -12.597
 1181   2HB   ALA  13          2HB       ALA  13   3.495 -15.309 -10.905
 1182   3HB   ALA  13          3HB       ALA  13   2.314 -15.820 -12.114
 1183    H    GLN  14           H        GLN  14   3.372 -13.217  -9.411
 1184    HA   GLN  14           HA       GLN  14   1.460 -14.308  -7.600
 1185   1HB   GLN  14          2HB       GLN  14   3.892 -12.570  -7.242
 1186   2HB   GLN  14          3HB       GLN  14   2.859 -12.982  -5.881
 1187   1HG   GLN  14          2HG       GLN  14   3.258 -15.434  -6.843
 1188   2HG   GLN  14          3HG       GLN  14   4.734 -14.669  -7.426
 1189   1HE2  GLN  14          1HE2      GLN  14   5.189 -16.606  -5.765
 1190   2HE2  GLN  14          2HE2      GLN  14   5.573 -16.065  -4.165
 1191    H    VAL  15           H        VAL  15   2.380 -10.982  -8.413
 1192    HA   VAL  15           HA       VAL  15   0.500  -9.736  -6.766
 1193    HB   VAL  15           HB       VAL  15   2.442  -8.912  -8.678
 1194   1HG1  VAL  15          1HG1      VAL  15   0.400  -8.462 -10.104
 1195   2HG1  VAL  15          2HG1      VAL  15  -0.050  -7.245  -8.909
 1196   3HG1  VAL  15          3HG1      VAL  15   1.462  -7.085  -9.802
 1197   1HG2  VAL  15          1HG2      VAL  15   0.878  -7.434  -6.566
 1198   2HG2  VAL  15          2HG2      VAL  15   2.436  -8.236  -6.369
 1199   3HG2  VAL  15          3HG2      VAL  15   2.304  -6.800  -7.384
 1200    H    LYS  16           H        LYS  16   0.173 -11.038 -10.013
 1201    HA   LYS  16           HA       LYS  16  -2.350  -9.826 -10.565
 1202   1HB   LYS  16          2HB       LYS  16  -0.571 -11.738 -11.872
 1203   2HB   LYS  16          3HB       LYS  16  -2.274 -12.102 -12.117
 1204   1HG   LYS  16          2HG       LYS  16  -1.492  -9.285 -12.502
 1205   2HG   LYS  16          3HG       LYS  16  -0.865 -10.439 -13.680
 1206   1HD   LYS  16          2HD       LYS  16  -3.746  -9.904 -12.976
 1207   2HD   LYS  16          3HD       LYS  16  -2.940  -9.607 -14.518
 1208   1HE   LYS  16          2HE       LYS  16  -3.238 -12.341 -13.299
 1209   2HE   LYS  16          3HE       LYS  16  -4.405 -11.653 -14.428
 1210   1HZ   LYS  16          HZ1       LYS  16  -1.840 -11.377 -15.526
 1211   2HZ   LYS  16          HZ2       LYS  16  -2.013 -12.982 -15.005
 1212   3HZ   LYS  16          HZ3       LYS  16  -3.134 -12.317 -16.093
 1213    H    ALA  17           H        ALA  17  -1.343 -12.824  -9.044
 1214    HA   ALA  17           HA       ALA  17  -3.772 -14.214  -9.098
 1215   1HB   ALA  17          1HB       ALA  17  -1.619 -15.215  -8.431
 1216   2HB   ALA  17          2HB       ALA  17  -1.675 -14.292  -6.929
 1217   3HB   ALA  17          3HB       ALA  17  -2.896 -15.522  -7.253
 1218    H    ALA  18           H        ALA  18  -2.715 -11.544  -7.192
 1219    HA   ALA  18           HA       ALA  18  -4.597 -11.783  -5.086
 1220   1HB   ALA  18          1HB       ALA  18  -2.512 -10.510  -4.883
 1221   2HB   ALA  18          2HB       ALA  18  -3.131  -9.330  -6.040
 1222   3HB   ALA  18          3HB       ALA  18  -3.926  -9.537  -4.479
 1223    H    LYS  19           H        LYS  19  -4.736 -10.256  -8.289
 1224    HA   LYS  19           HA       LYS  19  -7.283  -9.000  -7.726
 1225   1HB   LYS  19          2HB       LYS  19  -7.156  -8.033  -9.828
 1226   2HB   LYS  19          3HB       LYS  19  -5.464  -8.153  -9.377
 1227   1HG   LYS  19          2HG       LYS  19  -5.103  -9.170 -11.311
 1228   2HG   LYS  19          3HG       LYS  19  -6.025 -10.543 -10.699
 1229   1HD   LYS  19          2HD       LYS  19  -7.212 -10.114 -12.604
 1230   2HD   LYS  19          3HD       LYS  19  -8.071  -9.050 -11.488
 1231   1HE   LYS  19          2HE       LYS  19  -6.704  -7.167 -12.228
 1232   2HE   LYS  19          3HE       LYS  19  -5.830  -8.227 -13.332
 1233   1HZ   LYS  19          HZ1       LYS  19  -8.579  -8.500 -13.836
 1234   2HZ   LYS  19          HZ2       LYS  19  -8.219  -6.838 -13.792
 1235   3HZ   LYS  19          HZ3       LYS  19  -7.378  -7.860 -14.849
 1236    H    ALA  20           H        ALA  20  -6.050 -11.990  -8.837
 1237    HA   ALA  20           HA       ALA  20  -8.382 -12.806 -10.302
 1238   1HB   ALA  20          1HB       ALA  20  -5.756 -13.961  -9.654
 1239   2HB   ALA  20          2HB       ALA  20  -7.066 -15.125  -9.855
 1240   3HB   ALA  20          3HB       ALA  20  -6.677 -14.001 -11.158
 1241    H    ASP  21           H        ASP  21  -7.299 -12.996  -7.031
 1242    HA   ASP  21           HA       ASP  21  -9.218 -15.036  -6.280
 1243   1HB   ASP  21          2HB       ASP  21  -6.811 -14.406  -5.260
 1244   2HB   ASP  21          3HB       ASP  21  -7.822 -13.419  -4.209
 1245    H    MET  22           H        MET  22  -9.975 -12.316  -7.370
 1246    HA   MET  22           HA       MET  22 -11.996 -11.711  -5.342
 1247   1HB   MET  22          2HB       MET  22 -10.138  -9.688  -6.605
 1248   2HB   MET  22          3HB       MET  22 -11.604  -9.261  -5.734
 1249   1HG   MET  22          2HG       MET  22 -10.389 -10.796  -3.890
 1250   2HG   MET  22          3HG       MET  22  -8.985 -10.140  -4.730
 1251   1HE   MET  22          1HE       MET  22 -12.421  -9.299  -3.783
 1252   2HE   MET  22          2HE       MET  22 -12.189  -8.398  -2.282
 1253   3HE   MET  22          3HE       MET  22 -12.399  -7.536  -3.809
 1254    H    VAL  23           H        VAL  23 -13.837 -10.548  -6.212
 1255    HA   VAL  23           HA       VAL  23 -14.326 -11.118  -9.022
 1256    HB   VAL  23           HB       VAL  23 -16.124  -9.745  -7.005
 1257   1HG1  VAL  23          1HG1      VAL  23 -16.739 -10.884  -9.732
 1258   2HG1  VAL  23          2HG1      VAL  23 -17.924 -10.231  -8.600
 1259   3HG1  VAL  23          3HG1      VAL  23 -16.698  -9.175  -9.299
 1260   1HG2  VAL  23          1HG2      VAL  23 -15.411 -12.226  -6.656
 1261   2HG2  VAL  23          2HG2      VAL  23 -17.109 -11.773  -6.505
 1262   3HG2  VAL  23          3HG2      VAL  23 -16.530 -12.540  -7.984
 1263    H    MET  24           H        MET  24 -13.170  -9.750 -10.270
 1264    HA   MET  24           HA       MET  24 -12.652  -7.056  -9.518
 1265   1HB   MET  24          2HB       MET  24 -12.093  -8.679 -11.978
 1266   2HB   MET  24          3HB       MET  24 -11.795  -6.945 -11.969
 1267   1HG   MET  24          2HG       MET  24 -10.674  -8.116  -9.616
 1268   2HG   MET  24          3HG       MET  24 -10.123  -9.003 -11.035
 1269   1HE   MET  24          1HE       MET  24  -9.704  -6.337  -8.719
 1270   2HE   MET  24          2HE       MET  24  -8.609  -5.152  -9.429
 1271   3HE   MET  24          3HE       MET  24 -10.343  -5.044  -9.733
 1272    H    LEU  25           H        LEU  25 -14.074  -5.505  -9.562
 1273    HA   LEU  25           HA       LEU  25 -15.975  -5.344 -11.801
 1274   1HB   LEU  25          2HB       LEU  25 -16.400  -5.312  -8.914
 1275   2HB   LEU  25          3HB       LEU  25 -17.095  -3.914  -9.709
 1276    HG   LEU  25           HG       LEU  25 -17.819  -6.804  -9.998
 1277   1HD1  LEU  25          1HD1      LEU  25 -19.010  -4.355  -8.991
 1278   2HD1  LEU  25          2HD1      LEU  25 -20.064  -5.209 -10.120
 1279   3HD1  LEU  25          3HD1      LEU  25 -19.446  -6.037  -8.689
 1280   1HD2  LEU  25          1HD2      LEU  25 -17.396  -5.999 -12.279
 1281   2HD2  LEU  25          2HD2      LEU  25 -19.109  -6.299 -11.992
 1282   3HD2  LEU  25          3HD2      LEU  25 -18.493  -4.647 -11.995
 1283    H    SER  26           H        SER  26 -16.337  -3.315 -12.656
 1284    HA   SER  26           HA       SER  26 -14.241  -1.383 -12.214
 1285   1HB   SER  26          2HB       SER  26 -16.323  -0.422 -13.956
 1286   2HB   SER  26          3HB       SER  26 -14.669  -0.883 -14.361
 1287    HG   SER  26           HG       SER  26 -15.325  -2.825 -14.961
 1288    HA   PRO  27           HA       PRO  27 -15.956   1.132  -9.085
 1289   1HB   PRO  27          2HB       PRO  27 -15.553   3.616 -10.408
 1290   2HB   PRO  27          3HB       PRO  27 -14.500   2.840  -9.225
 1291   1HG   PRO  27          2HG       PRO  27 -14.369   2.793 -12.199
 1292   2HG   PRO  27          3HG       PRO  27 -13.051   2.760 -11.011
 1293   1HD   PRO  27          2HD       PRO  27 -13.713   0.549 -12.300
 1294   2HD   PRO  27          3HD       PRO  27 -13.362   0.481 -10.565
 1295    H    LYS  28           H        LYS  28 -17.223   1.572 -12.356
 1296    HA   LYS  28           HA       LYS  28 -19.406   3.244 -11.524
 1297   1HB   LYS  28          2HB       LYS  28 -19.193   1.585 -14.041
 1298   2HB   LYS  28          3HB       LYS  28 -20.253   2.959 -13.766
 1299   1HG   LYS  28          2HG       LYS  28 -18.029   4.255 -13.391
 1300   2HG   LYS  28          3HG       LYS  28 -17.316   2.906 -14.277
 1301   1HD   LYS  28          2HD       LYS  28 -19.724   4.309 -15.365
 1302   2HD   LYS  28          3HD       LYS  28 -18.122   5.020 -15.565
 1303   1HE   LYS  28          2HE       LYS  28 -18.680   2.172 -16.318
 1304   2HE   LYS  28          3HE       LYS  28 -19.019   3.497 -17.427
 1305   1HZ   LYS  28          HZ1       LYS  28 -16.404   3.733 -16.330
 1306   2HZ   LYS  28          HZ2       LYS  28 -16.609   2.218 -17.064
 1307   3HZ   LYS  28          HZ3       LYS  28 -16.884   3.636 -17.954
 1308    H    ASP  29           H        ASP  29 -18.948  -0.183 -12.250
 1309    HA   ASP  29           HA       ASP  29 -21.659  -0.921 -11.635
 1310   1HB   ASP  29          2HB       ASP  29 -19.601  -2.199 -12.927
 1311   2HB   ASP  29          3HB       ASP  29 -19.606  -3.017 -11.364
 1312    H    ALA  30           H        ALA  30 -18.639  -0.629  -9.951
 1313    HA   ALA  30           HA       ALA  30 -19.367  -2.003  -7.588
 1314   1HB   ALA  30          1HB       ALA  30 -17.029  -1.371  -8.308
 1315   2HB   ALA  30          2HB       ALA  30 -17.391   0.257  -7.734
 1316   3HB   ALA  30          3HB       ALA  30 -17.421  -1.101  -6.607
 1317    H    TYR  31           H        TYR  31 -19.324   1.495  -8.373
 1318    HA   TYR  31           HA       TYR  31 -20.428   2.293  -5.908
 1319   1HB   TYR  31          HB2       TYR  31 -19.291   3.916  -7.278
 1320   2HB   TYR  31          HB3       TYR  31 -20.438   3.679  -8.590
 1321    HD1  TYR  31           HD1      TYR  31 -20.435   4.606  -4.973
 1322    HD2  TYR  31           HD2      TYR  31 -22.129   5.246  -8.823
 1323    HE1  TYR  31           HE1      TYR  31 -21.850   6.386  -4.047
 1324    HE2  TYR  31           HE2      TYR  31 -23.550   7.028  -7.904
 1325    HH   TYR  31           HH       TYR  31 -24.055   8.249  -6.124
 1326    H    LYS  32           H        LYS  32 -21.876   1.127  -8.844
 1327    HA   LYS  32           HA       LYS  32 -24.496   2.012  -8.548
 1328   1HB   LYS  32          2HB       LYS  32 -23.581   0.843 -10.546
 1329   2HB   LYS  32          3HB       LYS  32 -23.600  -0.662  -9.636
 1330   1HG   LYS  32          2HG       LYS  32 -25.697  -1.005 -10.233
 1331   2HG   LYS  32          3HG       LYS  32 -26.177   0.508  -9.460
 1332   1HD   LYS  32          2HD       LYS  32 -25.132   1.507 -11.694
 1333   2HD   LYS  32          3HD       LYS  32 -25.607  -0.078 -12.308
 1334   1HE   LYS  32          2HE       LYS  32 -27.459   1.299 -12.705
 1335   2HE   LYS  32          3HE       LYS  32 -27.882   0.379 -11.261
 1336   1HZ   LYS  32          HZ1       LYS  32 -26.602   3.013 -10.970
 1337   2HZ   LYS  32          HZ2       LYS  32 -28.254   2.933 -11.335
 1338   3HZ   LYS  32          HZ3       LYS  32 -27.668   2.210  -9.917
 1339    H    LEU  33           H        LEU  33 -23.060  -1.054  -7.401
 1340    HA   LEU  33           HA       LEU  33 -25.419  -1.852  -6.037
 1341   1HB   LEU  33          2HB       LEU  33 -23.637  -3.362  -4.785
 1342   2HB   LEU  33          3HB       LEU  33 -24.188  -3.712  -6.410
 1343    HG   LEU  33           HG       LEU  33 -22.017  -2.094  -6.870
 1344   1HD1  LEU  33          1HD1      LEU  33 -21.626  -2.410  -4.318
 1345   2HD1  LEU  33          2HD1      LEU  33 -21.059  -4.015  -4.791
 1346   3HD1  LEU  33          3HD1      LEU  33 -20.272  -2.574  -5.443
 1347   1HD2  LEU  33          1HD2      LEU  33 -22.846  -4.740  -7.347
 1348   2HD2  LEU  33          2HD2      LEU  33 -21.574  -3.835  -8.168
 1349   3HD2  LEU  33          3HD2      LEU  33 -21.183  -4.827  -6.763
 1350    H    LEU  34           H        LEU  34 -22.754   0.170  -5.174
 1351    HA   LEU  34           HA       LEU  34 -23.078   0.039  -2.344
 1352   1HB   LEU  34          2HB       LEU  34 -21.904   2.278  -3.991
 1353   2HB   LEU  34          3HB       LEU  34 -21.681   2.026  -2.272
 1354    HG   LEU  34           HG       LEU  34 -20.723   0.105  -4.384
 1355   1HD1  LEU  34          1HD1      LEU  34 -19.241   2.291  -2.933
 1356   2HD1  LEU  34          2HD1      LEU  34 -18.482   1.021  -3.892
 1357   3HD1  LEU  34          3HD1      LEU  34 -19.552   2.189  -4.666
 1358   1HD2  LEU  34          1HD2      LEU  34 -20.986  -0.054  -1.551
 1359   2HD2  LEU  34          2HD2      LEU  34 -20.348  -1.253  -2.677
 1360   3HD2  LEU  34          3HD2      LEU  34 -19.273  -0.045  -1.970
 1361    H    GLN  35           H        GLN  35 -24.094   2.390  -4.807
 1362    HA   GLN  35           HA       GLN  35 -25.384   4.049  -2.901
 1363   1HB   GLN  35          2HB       GLN  35 -25.992   5.448  -4.729
 1364   2HB   GLN  35          3HB       GLN  35 -24.354   4.874  -4.992
 1365   1HG   GLN  35          2HG       GLN  35 -24.899   3.949  -6.928
 1366   2HG   GLN  35          3HG       GLN  35 -26.304   3.140  -6.231
 1367   1HE2  GLN  35          1HE2      GLN  35 -27.793   3.552  -7.755
 1368   2HE2  GLN  35          2HE2      GLN  35 -28.303   5.148  -8.196
 1369    H    GLU  36           H        GLU  36 -26.487   1.353  -4.801
 1370    HA   GLU  36           HA       GLU  36 -29.267   2.104  -4.439
 1371   1HB   GLU  36          2HB       GLU  36 -27.770   0.276  -6.135
 1372   2HB   GLU  36          3HB       GLU  36 -29.201  -0.482  -5.446
 1373   1HG   GLU  36          2HG       GLU  36 -30.564   0.645  -6.789
 1374   2HG   GLU  36          3HG       GLU  36 -29.755   2.176  -6.458
 1375    H    ASN  37           H        ASN  37 -26.933  -0.183  -3.150
 1376    HA   ASN  37           HA       ASN  37 -28.968  -1.051  -1.203
 1377   1HB   ASN  37          2HB       ASN  37 -26.738  -2.900  -1.935
 1378   2HB   ASN  37          3HB       ASN  37 -28.368  -3.269  -1.386
 1379   1HD2  ASN  37          1HD2      ASN  37 -26.337  -2.637  -4.090
 1380   2HD2  ASN  37          2HD2      ASN  37 -27.498  -3.004  -5.321
 1381    HA   PRO  38           HA       PRO  38 -25.746   0.888   1.295
 1382   1HB   PRO  38          2HB       PRO  38 -27.783   0.701   3.405
 1383   2HB   PRO  38          3HB       PRO  38 -26.968   2.125   2.753
 1384   1HG   PRO  38          2HG       PRO  38 -29.549   1.630   2.235
 1385   2HG   PRO  38          3HG       PRO  38 -28.480   2.362   1.023
 1386   1HD   PRO  38          2HD       PRO  38 -29.404  -0.483   1.262
 1387   2HD   PRO  38          3HD       PRO  38 -29.274   0.539  -0.186
 1388    H    ASP  39           H        ASP  39 -26.711  -2.222   1.311
 1389    HA   ASP  39           HA       ASP  39 -25.460  -2.896   3.875
 1390   1HB   ASP  39          2HB       ASP  39 -27.581  -4.080   2.822
 1391   2HB   ASP  39          3HB       ASP  39 -26.359  -4.991   1.938
 1392    H    ILE  40           H        ILE  40 -24.942  -2.807   0.469
 1393    HA   ILE  40           HA       ILE  40 -22.474  -4.321   0.563
 1394    HB   ILE  40           HB       ILE  40 -23.314  -2.591  -1.742
 1395   1HG1  ILE  40          2HG1      ILE  40 -24.423  -5.295  -0.973
 1396   2HG1  ILE  40          3HG1      ILE  40 -25.320  -3.813  -1.278
 1397   1HG2  ILE  40          1HG2      ILE  40 -21.325  -4.627  -1.225
 1398   2HG2  ILE  40          2HG2      ILE  40 -22.309  -5.015  -2.635
 1399   3HG2  ILE  40          3HG2      ILE  40 -21.447  -3.479  -2.559
 1400   1HD1  ILE  40          1HD1      ILE  40 -23.727  -4.672  -3.556
 1401   2HD1  ILE  40          2HD1      ILE  40 -24.933  -5.856  -3.054
 1402   3HD1  ILE  40          3HD1      ILE  40 -25.427  -4.214  -3.465
 1403    H    THR  41           H        THR  41 -21.016  -3.298   1.799
 1404    HA   THR  41           HA       THR  41 -20.685  -0.421   1.638
 1405    HB   THR  41           HB       THR  41 -18.856  -2.112   3.272
 1406    HG1  THR  41           HG1      THR  41 -21.572  -2.338   3.346
 1407   1HG2  THR  41          1HG2      THR  41 -19.882   0.604   3.249
 1408   2HG2  THR  41          2HG2      THR  41 -20.056  -0.154   4.832
 1409   3HG2  THR  41          3HG2      THR  41 -18.468  -0.060   4.070
 1410    H    LEU  42           H        LEU  42 -18.791   0.662   0.964
 1411    HA   LEU  42           HA       LEU  42 -16.862  -1.007  -0.499
 1412   1HB   LEU  42          2HB       LEU  42 -17.611   0.587  -2.050
 1413   2HB   LEU  42          3HB       LEU  42 -17.689   1.861  -0.845
 1414    HG   LEU  42           HG       LEU  42 -15.048   1.434  -0.814
 1415   1HD1  LEU  42          1HD1      LEU  42 -15.939  -0.106  -3.025
 1416   2HD1  LEU  42          2HD1      LEU  42 -15.021   1.268  -3.641
 1417   3HD1  LEU  42          3HD1      LEU  42 -14.290   0.173  -2.467
 1418   1HD2  LEU  42          1HD2      LEU  42 -16.400   3.526  -1.360
 1419   2HD2  LEU  42          2HD2      LEU  42 -14.805   3.377  -2.097
 1420   3HD2  LEU  42          3HD2      LEU  42 -16.253   3.038  -3.049
 1421    H    ILE  43           H        ILE  43 -14.878  -1.161   0.259
 1422    HA   ILE  43           HA       ILE  43 -14.158   0.558   2.533
 1423    HB   ILE  43           HB       ILE  43 -13.270  -2.244   1.853
 1424   1HG1  ILE  43          2HG1      ILE  43 -14.536  -1.115   4.345
 1425   2HG1  ILE  43          3HG1      ILE  43 -15.465  -1.817   3.022
 1426   1HG2  ILE  43          1HG2      ILE  43 -11.839  -0.178   3.283
 1427   2HG2  ILE  43          2HG2      ILE  43 -12.212  -1.539   4.342
 1428   3HG2  ILE  43          3HG2      ILE  43 -11.315  -1.807   2.846
 1429   1HD1  ILE  43          1HD1      ILE  43 -13.318  -3.536   4.022
 1430   2HD1  ILE  43          2HD1      ILE  43 -14.593  -3.188   5.191
 1431   3HD1  ILE  43          3HD1      ILE  43 -14.997  -3.918   3.635
 1432    H    ASP  44           H        ASP  44 -12.737   2.062   2.098
 1433    HA   ASP  44           HA       ASP  44 -10.960   1.679  -0.192
 1434   1HB   ASP  44          2HB       ASP  44 -11.779   3.786  -0.529
 1435   2HB   ASP  44          3HB       ASP  44 -12.103   4.048   1.176
 1436    H    VAL  45           H        VAL  45  -9.009   1.072   0.137
 1437    HA   VAL  45           HA       VAL  45  -7.807   1.467   2.798
 1438    HB   VAL  45           HB       VAL  45  -6.740  -0.705   1.073
 1439   1HG1  VAL  45          1HG1      VAL  45  -6.151   0.108   3.537
 1440   2HG1  VAL  45          2HG1      VAL  45  -7.425  -1.044   3.937
 1441   3HG1  VAL  45          3HG1      VAL  45  -6.002  -1.578   3.042
 1442   1HG2  VAL  45          1HG2      VAL  45  -9.505  -0.609   1.568
 1443   2HG2  VAL  45          2HG2      VAL  45  -8.565  -1.969   0.953
 1444   3HG2  VAL  45          3HG2      VAL  45  -8.840  -1.799   2.688
 1445    H    ARG  46           H        ARG  46  -6.677   3.263   2.419
 1446    HA   ARG  46           HA       ARG  46  -4.402   3.158   0.648
 1447   1HB   ARG  46          2HB       ARG  46  -6.723   4.026  -0.484
 1448   2HB   ARG  46          3HB       ARG  46  -6.079   5.534   0.147
 1449   1HG   ARG  46          2HG       ARG  46  -3.901   4.378  -1.071
 1450   2HG   ARG  46          3HG       ARG  46  -5.243   3.968  -2.142
 1451   1HD   ARG  46          2HD       ARG  46  -4.863   6.005  -3.013
 1452   2HD   ARG  46          3HD       ARG  46  -5.780   6.571  -1.617
 1453    HE   ARG  46           HE       ARG  46  -3.857   7.457  -0.743
 1454   1HH1  ARG  46          1HH1      ARG  46  -3.015   5.289  -3.370
 1455   2HH1  ARG  46          2HH1      ARG  46  -1.330   5.729  -3.357
 1456   1HH2  ARG  46          1HH2      ARG  46  -1.643   8.055  -0.756
 1457   2HH2  ARG  46          2HH2      ARG  46  -0.581   7.324  -1.929
 1458    H    ASP  47           H        ASP  47  -3.239   5.311   0.734
 1459    HA   ASP  47           HA       ASP  47  -2.952   6.092   3.474
 1460   1HB   ASP  47          2HB       ASP  47  -0.883   6.418   2.689
 1461   2HB   ASP  47          3HB       ASP  47  -1.446   6.305   1.024
 1462    HA   PRO  48           HA       PRO  48  -5.814   9.394   3.399
 1463   1HB   PRO  48          2HB       PRO  48  -5.071  10.717   5.628
 1464   2HB   PRO  48          3HB       PRO  48  -5.835   9.125   5.676
 1465   1HG   PRO  48          2HG       PRO  48  -2.947   9.850   5.935
 1466   2HG   PRO  48          3HG       PRO  48  -3.891   8.664   6.854
 1467   1HD   PRO  48          2HD       PRO  48  -2.232   7.997   4.790
 1468   2HD   PRO  48          3HD       PRO  48  -3.665   7.050   5.240
 1469    H    ASP  49           H        ASP  49  -2.396  10.159   3.215
 1470    HA   ASP  49           HA       ASP  49  -2.768  12.978   3.147
 1471   1HB   ASP  49          2HB       ASP  49  -0.590  11.289   3.419
 1472   2HB   ASP  49          3HB       ASP  49  -0.320  12.076   1.870
 1473    H    GLU  50           H        GLU  50  -2.129  10.561   0.598
 1474    HA   GLU  50           HA       GLU  50  -2.416  12.457  -1.535
 1475   1HB   GLU  50          2HB       GLU  50  -1.668   9.762  -1.331
 1476   2HB   GLU  50          3HB       GLU  50  -3.137   9.757  -2.296
 1477   1HG   GLU  50          2HG       GLU  50  -2.162  10.815  -4.043
 1478   2HG   GLU  50          3HG       GLU  50  -1.083  11.757  -3.015
 1479    H    LEU  51           H        LEU  51  -4.561  10.529   0.391
 1480    HA   LEU  51           HA       LEU  51  -6.925  10.714  -1.157
 1481   1HB   LEU  51          2HB       LEU  51  -6.178   9.664   1.333
 1482   2HB   LEU  51          3HB       LEU  51  -7.398  10.867   1.699
 1483    HG   LEU  51           HG       LEU  51  -8.805   9.671  -0.119
 1484   1HD1  LEU  51          1HD1      LEU  51  -6.444   8.068  -0.113
 1485   2HD1  LEU  51          2HD1      LEU  51  -7.812   7.097   0.443
 1486   3HD1  LEU  51          3HD1      LEU  51  -7.887   7.918  -1.118
 1487   1HD2  LEU  51          1HD2      LEU  51  -8.295   9.006   2.694
 1488   2HD2  LEU  51          2HD2      LEU  51  -9.809   9.372   1.868
 1489   3HD2  LEU  51          3HD2      LEU  51  -9.120   7.750   1.772
 1490    H    LYS  52           H        LYS  52  -5.505  12.740   1.353
 1491    HA   LYS  52           HA       LYS  52  -7.495  14.707   1.549
 1492   1HB   LYS  52          2HB       LYS  52  -4.565  14.598   2.124
 1493   2HB   LYS  52          3HB       LYS  52  -5.354  16.166   2.113
 1494   1HG   LYS  52          2HG       LYS  52  -6.510  15.758   4.020
 1495   2HG   LYS  52          3HG       LYS  52  -6.619  14.024   3.716
 1496   1HD   LYS  52          2HD       LYS  52  -5.164  14.490   5.624
 1497   2HD   LYS  52          3HD       LYS  52  -4.254  13.768   4.296
 1498   1HE   LYS  52          2HE       LYS  52  -3.819  16.289   3.665
 1499   2HE   LYS  52          3HE       LYS  52  -4.174  16.548   5.373
 1500   1HZ   LYS  52          HZ1       LYS  52  -2.450  14.534   5.546
 1501   2HZ   LYS  52          HZ2       LYS  52  -1.874  15.263   4.125
 1502   3HZ   LYS  52          HZ3       LYS  52  -1.974  16.159   5.565
 1503    H    ALA  53           H        ALA  53  -4.750  14.361  -0.620
 1504    HA   ALA  53           HA       ALA  53  -5.043  16.993  -1.699
 1505   1HB   ALA  53          1HB       ALA  53  -2.914  15.529  -1.417
 1506   2HB   ALA  53          2HB       ALA  53  -3.370  14.896  -2.999
 1507   3HB   ALA  53          3HB       ALA  53  -3.057  16.620  -2.796
 1508    H    MET  54           H        MET  54  -5.545  13.736  -3.043
 1509    HA   MET  54           HA       MET  54  -6.438  14.937  -5.536
 1510   1HB   MET  54          2HB       MET  54  -6.316  11.979  -5.052
 1511   2HB   MET  54          3HB       MET  54  -6.076  12.865  -6.550
 1512   1HG   MET  54          2HG       MET  54  -4.145  13.466  -4.423
 1513   2HG   MET  54          3HG       MET  54  -4.093  11.820  -5.048
 1514   1HE   MET  54          1HE       MET  54  -1.945  13.751  -4.883
 1515   2HE   MET  54          2HE       MET  54  -1.207  12.807  -6.179
 1516   3HE   MET  54          3HE       MET  54  -1.392  14.554  -6.354
 1517    H    GLY  55           H        GLY  55  -7.832  13.032  -2.931
 1518   1HA   GLY  55          1HA       GLY  55 -10.234  13.675  -2.606
 1519   2HA   GLY  55          2HA       GLY  55 -10.420  13.219  -4.289
 1520    H    LYS  56           H        LYS  56 -11.965  12.090  -2.311
 1521    HA   LYS  56           HA       LYS  56 -11.135   9.282  -2.493
 1522   1HB   LYS  56          2HB       LYS  56 -12.455   9.374  -0.062
 1523   2HB   LYS  56          3HB       LYS  56 -10.717   9.226  -0.277
 1524   1HG   LYS  56          2HG       LYS  56 -10.401  11.162   0.740
 1525   2HG   LYS  56          3HG       LYS  56 -11.433  11.983  -0.431
 1526   1HD   LYS  56          2HD       LYS  56 -13.400  11.170   0.939
 1527   2HD   LYS  56          3HD       LYS  56 -12.230  10.695   2.172
 1528   1HE   LYS  56          2HE       LYS  56 -11.676  13.367   1.323
 1529   2HE   LYS  56          3HE       LYS  56 -13.382  13.238   1.742
 1530   1HZ   LYS  56          HZ1       LYS  56 -11.135  12.387   3.492
 1531   2HZ   LYS  56          HZ2       LYS  56 -11.979  13.852   3.641
 1532   3HZ   LYS  56          HZ3       LYS  56 -12.786  12.379   3.895
 1533    HA   PRO  57           HA       PRO  57 -15.235   8.628  -3.949
 1534   1HB   PRO  57          2HB       PRO  57 -15.936   6.323  -2.560
 1535   2HB   PRO  57          3HB       PRO  57 -15.055   6.378  -4.089
 1536   1HG   PRO  57          2HG       PRO  57 -14.027   6.037  -1.309
 1537   2HG   PRO  57          3HG       PRO  57 -13.444   5.314  -2.819
 1538   1HD   PRO  57          2HD       PRO  57 -12.161   7.356  -1.614
 1539   2HD   PRO  57          3HD       PRO  57 -12.212   7.188  -3.381
 1540    H    ASP  58           H        ASP  58 -16.954   9.780  -3.398
 1541    HA   ASP  58           HA       ASP  58 -17.745   9.950  -0.578
 1542   1HB   ASP  58          2HB       ASP  58 -17.419  12.100  -1.683
 1543   2HB   ASP  58          3HB       ASP  58 -18.547  11.645  -2.955
 1544    H    VAL  59           H        VAL  59 -18.636   7.802  -0.630
 1545    HA   VAL  59           HA       VAL  59 -21.229   7.691  -2.015
 1546    HB   VAL  59           HB       VAL  59 -21.066   5.407  -2.325
 1547   1HG1  VAL  59          1HG1      VAL  59 -18.927   6.908  -3.160
 1548   2HG1  VAL  59          2HG1      VAL  59 -18.160   5.508  -2.413
 1549   3HG1  VAL  59          3HG1      VAL  59 -19.328   5.282  -3.713
 1550   1HG2  VAL  59          1HG2      VAL  59 -20.639   4.789  -0.006
 1551   2HG2  VAL  59          2HG2      VAL  59 -19.586   3.895  -1.103
 1552   3HG2  VAL  59          3HG2      VAL  59 -18.948   5.257  -0.184
 1553    H    LYS  60           H        LYS  60 -22.921   6.462  -0.812
 1554    HA   LYS  60           HA       LYS  60 -23.400   7.696   1.616
 1555   1HB   LYS  60          2HB       LYS  60 -24.636   5.202   0.442
 1556   2HB   LYS  60          3HB       LYS  60 -25.264   6.029   1.862
 1557   1HG   LYS  60          2HG       LYS  60 -26.411   7.411   0.576
 1558   2HG   LYS  60          3HG       LYS  60 -24.928   7.941  -0.220
 1559   1HD   LYS  60          2HD       LYS  60 -25.450   6.823  -2.074
 1560   2HD   LYS  60          3HD       LYS  60 -25.722   5.335  -1.165
 1561   1HE   LYS  60          2HE       LYS  60 -27.851   5.577  -1.824
 1562   2HE   LYS  60          3HE       LYS  60 -27.941   6.764  -0.525
 1563   1HZ   LYS  60          HZ1       LYS  60 -26.913   8.037  -2.799
 1564   2HZ   LYS  60          HZ2       LYS  60 -28.291   7.168  -3.276
 1565   3HZ   LYS  60          HZ3       LYS  60 -28.399   8.305  -2.024
 1566    H    ASN  61           H        ASN  61 -22.177   4.448   0.983
 1567    HA   ASN  61           HA       ASN  61 -21.592   4.202   3.855
 1568   1HB   ASN  61          2HB       ASN  61 -21.760   1.706   3.462
 1569   2HB   ASN  61          3HB       ASN  61 -23.271   2.601   3.377
 1570   1HD2  ASN  61          1HD2      ASN  61 -23.613   0.377   2.314
 1571   2HD2  ASN  61          2HD2      ASN  61 -23.455   0.341   0.591
 1572    H    TYR  62           H        TYR  62 -19.632   5.376   3.052
 1573    HA   TYR  62           HA       TYR  62 -17.646   3.478   2.004
 1574   1HB   TYR  62          HB2       TYR  62 -17.404   5.300   0.610
 1575   2HB   TYR  62          HB3       TYR  62 -17.923   6.447   1.838
 1576    HD1  TYR  62           HD1      TYR  62 -15.144   3.952   1.783
 1577    HD2  TYR  62           HD2      TYR  62 -16.261   8.041   2.090
 1578    HE1  TYR  62           HE1      TYR  62 -12.810   4.534   2.223
 1579    HE2  TYR  62           HE2      TYR  62 -13.916   8.654   2.519
 1580    HH   TYR  62           HH       TYR  62 -11.310   6.457   2.062
 1581    H    LYS  63           H        LYS  63 -16.206   2.657   3.391
 1582    HA   LYS  63           HA       LYS  63 -15.683   4.157   5.863
 1583   1HB   LYS  63          2HB       LYS  63 -15.679   1.143   5.660
 1584   2HB   LYS  63          3HB       LYS  63 -15.507   2.123   7.106
 1585   1HG   LYS  63          2HG       LYS  63 -17.853   3.009   6.365
 1586   2HG   LYS  63          3HG       LYS  63 -17.938   1.432   5.587
 1587   1HD   LYS  63          2HD       LYS  63 -16.902   1.288   8.298
 1588   2HD   LYS  63          3HD       LYS  63 -18.510   2.008   8.236
 1589   1HE   LYS  63          2HE       LYS  63 -18.639  -0.173   6.511
 1590   2HE   LYS  63          3HE       LYS  63 -17.698  -0.746   7.887
 1591   1HZ   LYS  63          HZ1       LYS  63 -20.319   0.626   8.149
 1592   2HZ   LYS  63          HZ2       LYS  63 -20.144  -1.059   8.083
 1593   3HZ   LYS  63          HZ3       LYS  63 -19.453  -0.186   9.364
 1594    H    HIS  64           H        HIS  64 -13.655   4.793   6.011
 1595    HA   HIS  64           HA       HIS  64 -11.603   3.607   4.320
 1596   1HB   HIS  64          2HB       HIS  64 -11.828   6.093   4.605
 1597   2HB   HIS  64          3HB       HIS  64 -11.386   5.896   6.295
 1598    HD1  HIS  64           HD1      HIS  64  -9.230   7.224   6.173
 1599    HD2  HIS  64           HD2      HIS  64  -9.380   4.113   3.417
 1600    HE1  HIS  64           HE1      HIS  64  -6.923   7.084   5.185
 1601    HE2  HIS  64           HE2      HIS  64  -7.081   5.303   3.416
 1602    H    MET  65           H        MET  65 -10.571   1.853   5.058
 1603    HA   MET  65           HA       MET  65 -10.303   1.525   7.975
 1604   1HB   MET  65          2HB       MET  65 -10.857  -0.285   5.762
 1605   2HB   MET  65          3HB       MET  65  -9.539  -0.862   6.773
 1606   1HG   MET  65          2HG       MET  65 -11.657  -1.760   7.521
 1607   2HG   MET  65          3HG       MET  65 -10.964  -0.695   8.742
 1608   1HE   MET  65          1HE       MET  65 -13.817  -1.882   7.129
 1609   2HE   MET  65          2HE       MET  65 -15.053  -0.624   7.105
 1610   3HE   MET  65          3HE       MET  65 -13.861  -0.717   5.809
 1611    H    SER  66           H        SER  66  -8.444   2.780   8.315
 1612    HA   SER  66           HA       SER  66  -6.113   2.103   6.697
 1613   1HB   SER  66          2HB       SER  66  -5.691   4.378   8.386
 1614   2HB   SER  66          3HB       SER  66  -5.795   4.312   6.626
 1615    HG   SER  66           HG       SER  66  -7.883   4.696   8.506
 1616    H    ARG  67           H        ARG  67  -4.896   0.612   7.542
 1617    HA   ARG  67           HA       ARG  67  -3.625   1.175  10.072
 1618   1HB   ARG  67          2HB       ARG  67  -5.584  -0.590  10.349
 1619   2HB   ARG  67          3HB       ARG  67  -4.393  -1.691   9.674
 1620   1HG   ARG  67          2HG       ARG  67  -4.543  -1.553  12.201
 1621   2HG   ARG  67          3HG       ARG  67  -2.938  -1.419  11.481
 1622   1HD   ARG  67          2HD       ARG  67  -3.344   1.125  11.586
 1623   2HD   ARG  67          3HD       ARG  67  -4.643   0.724  12.712
 1624    HE   ARG  67           HE       ARG  67  -1.770   0.228  13.128
 1625   1HH1  ARG  67          1HH1      ARG  67  -5.022   0.575  14.394
 1626   2HH1  ARG  67          2HH1      ARG  67  -4.542   0.335  16.052
 1627   1HH2  ARG  67          1HH2      ARG  67  -1.134  -0.086  15.304
 1628   2HH2  ARG  67          2HH2      ARG  67  -2.331  -0.037  16.567
 1629    H    GLY  68           H        GLY  68  -2.672  -1.917   9.449
 1630   1HA   GLY  68          1HA       GLY  68  -0.596  -1.039   7.589
 1631   2HA   GLY  68          2HA       GLY  68  -0.679  -2.594   8.419
 1632    H    LYS  69           H        LYS  69  -3.257  -3.328   7.913
 1633    HA   LYS  69           HA       LYS  69  -3.853  -3.039   5.116
 1634   1HB   LYS  69          2HB       LYS  69  -2.223  -5.168   5.729
 1635   2HB   LYS  69          3HB       LYS  69  -3.824  -5.893   5.779
 1636   1HG   LYS  69          2HG       LYS  69  -3.058  -6.180   3.576
 1637   2HG   LYS  69          3HG       LYS  69  -4.223  -4.857   3.506
 1638   1HD   LYS  69          2HD       LYS  69  -1.489  -3.967   4.010
 1639   2HD   LYS  69          3HD       LYS  69  -1.675  -4.814   2.474
 1640   1HE   LYS  69          2HE       LYS  69  -3.568  -3.307   1.930
 1641   2HE   LYS  69          3HE       LYS  69  -3.246  -2.418   3.418
 1642   1HZ   LYS  69          HZ1       LYS  69  -0.949  -2.754   1.704
 1643   2HZ   LYS  69          HZ2       LYS  69  -2.185  -1.823   1.023
 1644   3HZ   LYS  69          HZ3       LYS  69  -1.502  -1.374   2.510
 1645    H    LEU  70           H        LEU  70  -5.180  -2.170   7.304
 1646    HA   LEU  70           HA       LEU  70  -7.275  -1.917   8.069
 1647   1HB   LEU  70          2HB       LEU  70  -8.736  -2.127   6.428
 1648   2HB   LEU  70          3HB       LEU  70  -7.502  -2.975   5.524
 1649    HG   LEU  70           HG       LEU  70  -8.747  -4.912   7.173
 1650   1HD1  LEU  70          1HD1      LEU  70 -10.519  -2.831   6.865
 1651   2HD1  LEU  70          2HD1      LEU  70 -10.948  -3.922   5.548
 1652   3HD1  LEU  70          3HD1      LEU  70 -10.940  -4.507   7.212
 1653   1HD2  LEU  70          1HD2      LEU  70  -8.704  -4.277   4.251
 1654   2HD2  LEU  70          2HD2      LEU  70  -7.892  -5.576   5.122
 1655   3HD2  LEU  70          3HD2      LEU  70  -9.637  -5.635   4.877
 1656    H    GLU  71           H        GLU  71  -5.689  -4.779   8.489
 1657    HA   GLU  71           HA       GLU  71  -7.379  -6.657   9.387
 1658   1HB   GLU  71          2HB       GLU  71  -5.150  -6.427  11.250
 1659   2HB   GLU  71          3HB       GLU  71  -5.552  -7.714  10.124
 1660   1HG   GLU  71          2HG       GLU  71  -3.624  -7.080   9.151
 1661   2HG   GLU  71          3HG       GLU  71  -4.652  -5.865   8.393
 1662    HA   PRO  72           HA       PRO  72  -7.780  -5.127  13.902
 1663   1HB   PRO  72          2HB       PRO  72  -6.715  -2.410  14.072
 1664   2HB   PRO  72          3HB       PRO  72  -6.316  -3.830  15.042
 1665   1HG   PRO  72          2HG       PRO  72  -4.589  -2.773  13.269
 1666   2HG   PRO  72          3HG       PRO  72  -4.660  -4.513  13.600
 1667   1HD   PRO  72          2HD       PRO  72  -5.832  -2.973  11.309
 1668   2HD   PRO  72          3HD       PRO  72  -4.959  -4.521  11.294
 1669    H    LEU  73           H        LEU  73  -8.325  -2.937  11.285
 1670    HA   LEU  73           HA       LEU  73 -10.378  -1.480  12.739
 1671   1HB   LEU  73          2HB       LEU  73  -8.657  -0.866  10.614
 1672   2HB   LEU  73          3HB       LEU  73 -10.256  -0.920   9.901
 1673    HG   LEU  73           HG       LEU  73  -9.360   1.335  10.784
 1674   1HD1  LEU  73          1HD1      LEU  73 -11.732   0.708  10.091
 1675   2HD1  LEU  73          2HD1      LEU  73 -12.068   0.556  11.815
 1676   3HD1  LEU  73          3HD1      LEU  73 -11.542   2.102  11.150
 1677   1HD2  LEU  73          1HD2      LEU  73 -10.054  -0.084  13.339
 1678   2HD2  LEU  73          2HD2      LEU  73  -8.578   0.794  12.930
 1679   3HD2  LEU  73          3HD2      LEU  73 -10.082   1.674  13.199
 1680    H    LEU  74           H        LEU  74 -10.069  -4.127  10.590
 1681    HA   LEU  74           HA       LEU  74 -12.576  -4.118   9.329
 1682   1HB   LEU  74          2HB       LEU  74 -10.662  -5.515   8.653
 1683   2HB   LEU  74          3HB       LEU  74 -10.823  -6.451  10.124
 1684    HG   LEU  74           HG       LEU  74 -13.236  -6.930   9.209
 1685   1HD1  LEU  74          1HD1      LEU  74 -12.959  -5.344   7.307
 1686   2HD1  LEU  74          2HD1      LEU  74 -11.739  -6.432   6.645
 1687   3HD1  LEU  74          3HD1      LEU  74 -13.405  -6.981   6.828
 1688   1HD2  LEU  74          1HD2      LEU  74 -10.976  -8.360   9.399
 1689   2HD2  LEU  74          2HD2      LEU  74 -12.474  -8.993   8.711
 1690   3HD2  LEU  74          3HD2      LEU  74 -11.200  -8.386   7.649
 1691    H    ALA  75           H        ALA  75 -11.562  -5.068  12.501
 1692    HA   ALA  75           HA       ALA  75 -13.900  -6.593  13.153
 1693   1HB   ALA  75          1HB       ALA  75 -11.536  -5.594  14.679
 1694   2HB   ALA  75          2HB       ALA  75 -12.933  -6.251  15.532
 1695   3HB   ALA  75          3HB       ALA  75 -12.056  -7.250  14.373
 1696    H    LYS  76           H        LYS  76 -12.920  -3.263  13.448
 1697    HA   LYS  76           HA       LYS  76 -15.073  -2.683  15.304
 1698   1HB   LYS  76          2HB       LYS  76 -13.345  -0.498  14.326
 1699   2HB   LYS  76          3HB       LYS  76 -13.889  -0.866  15.957
 1700   1HG   LYS  76          2HG       LYS  76 -12.189  -2.965  15.201
 1701   2HG   LYS  76          3HG       LYS  76 -11.403  -1.473  14.696
 1702   1HD   LYS  76          2HD       LYS  76 -12.532  -1.900  17.452
 1703   2HD   LYS  76          3HD       LYS  76 -10.858  -2.255  17.026
 1704   1HE   LYS  76          2HE       LYS  76 -10.275  -0.088  17.019
 1705   2HE   LYS  76          3HE       LYS  76 -11.767   0.408  16.218
 1706   1HZ   LYS  76          HZ1       LYS  76 -12.380  -0.434  18.825
 1707   2HZ   LYS  76          HZ2       LYS  76 -11.089   0.666  18.911
 1708   3HZ   LYS  76          HZ3       LYS  76 -12.532   1.116  18.151
 1709    H    SER  77           H        SER  77 -14.757  -2.677  11.977
 1710    HA   SER  77           HA       SER  77 -16.129  -0.242  11.410
 1711   1HB   SER  77          2HB       SER  77 -16.421  -1.977   9.214
 1712   2HB   SER  77          3HB       SER  77 -15.221  -0.701   9.420
 1713    HG   SER  77           HG       SER  77 -13.799  -2.178  10.265
 1714    H    GLY  78           H        GLY  78 -17.133  -3.504  12.104
 1715   1HA   GLY  78          1HA       GLY  78 -19.346  -4.101  12.705
 1716   2HA   GLY  78          2HA       GLY  78 -19.929  -2.660  11.879
 1717    H    LEU  79           H        LEU  79 -17.836  -5.348  10.899
 1718    HA   LEU  79           HA       LEU  79 -19.530  -5.672   8.527
 1719   1HB   LEU  79          2HB       LEU  79 -16.632  -6.403   8.970
 1720   2HB   LEU  79          3HB       LEU  79 -17.537  -6.751   7.508
 1721    HG   LEU  79           HG       LEU  79 -17.147  -3.944   8.527
 1722   1HD1  LEU  79          1HD1      LEU  79 -15.022  -5.394   7.931
 1723   2HD1  LEU  79          2HD1      LEU  79 -15.520  -5.007   6.283
 1724   3HD1  LEU  79          3HD1      LEU  79 -15.168  -3.710   7.424
 1725   1HD2  LEU  79          1HD2      LEU  79 -18.941  -4.687   6.789
 1726   2HD2  LEU  79          2HD2      LEU  79 -17.971  -3.243   6.497
 1727   3HD2  LEU  79          3HD2      LEU  79 -17.566  -4.756   5.688
 1728    H    ASP  80           H        ASP  80 -20.259  -7.662   7.952
 1729    HA   ASP  80           HA       ASP  80 -19.636  -9.944   9.684
 1730   1HB   ASP  80          2HB       ASP  80 -21.848  -8.717  10.288
 1731   2HB   ASP  80          3HB       ASP  80 -22.465  -9.405   8.791
 1732    HA   PRO  81           HA       PRO  81 -18.928 -11.922   5.823
 1733   1HB   PRO  81          2HB       PRO  81 -19.883 -14.385   7.186
 1734   2HB   PRO  81          3HB       PRO  81 -18.348 -14.071   6.363
 1735   1HG   PRO  81          2HG       PRO  81 -18.470 -14.160   9.015
 1736   2HG   PRO  81          3HG       PRO  81 -17.448 -12.966   8.194
 1737   1HD   PRO  81          2HD       PRO  81 -20.107 -12.604   9.506
 1738   2HD   PRO  81          3HD       PRO  81 -18.694 -11.525   9.495
 1739    H    GLU  82           H        GLU  82 -21.915 -11.160   6.650
 1740    HA   GLU  82           HA       GLU  82 -23.203 -12.891   4.650
 1741   1HB   GLU  82          2HB       GLU  82 -25.343 -12.052   5.637
 1742   2HB   GLU  82          3HB       GLU  82 -24.369 -12.986   6.765
 1743   1HG   GLU  82          2HG       GLU  82 -24.169 -11.277   8.168
 1744   2HG   GLU  82          3HG       GLU  82 -23.756 -10.157   6.873
 1745    H    LYS  83           H        LYS  83 -21.791  -9.922   5.114
 1746    HA   LYS  83           HA       LYS  83 -23.613  -8.509   3.317
 1747   1HB   LYS  83          2HB       LYS  83 -21.298  -7.366   4.880
 1748   2HB   LYS  83          3HB       LYS  83 -22.593  -6.475   4.093
 1749   1HG   LYS  83          2HG       LYS  83 -24.103  -7.872   5.728
 1750   2HG   LYS  83          3HG       LYS  83 -22.603  -7.986   6.652
 1751   1HD   LYS  83          2HD       LYS  83 -22.436  -5.617   6.823
 1752   2HD   LYS  83          3HD       LYS  83 -23.740  -5.380   5.657
 1753   1HE   LYS  83          2HE       LYS  83 -24.053  -6.698   8.350
 1754   2HE   LYS  83          3HE       LYS  83 -24.438  -5.013   8.007
 1755   1HZ   LYS  83          HZ1       LYS  83 -25.956  -5.956   6.211
 1756   2HZ   LYS  83          HZ2       LYS  83 -25.784  -7.451   7.008
 1757   3HZ   LYS  83          HZ3       LYS  83 -26.454  -6.121   7.827
 1758    HA   PRO  84           HA       PRO  84 -20.501  -8.637   0.118
 1759   1HB   PRO  84          2HB       PRO  84 -21.817  -6.739  -1.474
 1760   2HB   PRO  84          3HB       PRO  84 -22.040  -8.487  -1.536
 1761   1HG   PRO  84          2HG       PRO  84 -23.937  -6.569  -0.713
 1762   2HG   PRO  84          3HG       PRO  84 -24.067  -8.328  -0.557
 1763   1HD   PRO  84          2HD       PRO  84 -23.301  -6.294   1.468
 1764   2HD   PRO  84          3HD       PRO  84 -24.103  -7.868   1.679
 1765    H    VAL  85           H        VAL  85 -18.708  -7.467  -0.356
 1766    HA   VAL  85           HA       VAL  85 -18.672  -4.606   0.282
 1767    HB   VAL  85           HB       VAL  85 -16.259  -5.176   1.223
 1768   1HG1  VAL  85          1HG1      VAL  85 -18.660  -4.394   2.313
 1769   2HG1  VAL  85          2HG1      VAL  85 -18.192  -5.774   3.306
 1770   3HG1  VAL  85          3HG1      VAL  85 -17.100  -4.400   3.134
 1771   1HG2  VAL  85          1HG2      VAL  85 -17.844  -7.661   1.862
 1772   2HG2  VAL  85          2HG2      VAL  85 -16.387  -7.569   0.869
 1773   3HG2  VAL  85          3HG2      VAL  85 -16.301  -7.213   2.596
 1774    H    VAL  86           H        VAL  86 -17.146  -3.412  -0.867
 1775    HA   VAL  86           HA       VAL  86 -15.589  -4.917  -2.851
 1776    HB   VAL  86           HB       VAL  86 -17.339  -3.962  -4.140
 1777   1HG1  VAL  86          1HG1      VAL  86 -17.003  -1.618  -2.351
 1778   2HG1  VAL  86          2HG1      VAL  86 -17.589  -1.349  -3.993
 1779   3HG1  VAL  86          3HG1      VAL  86 -18.472  -2.422  -2.908
 1780   1HG2  VAL  86          1HG2      VAL  86 -15.116  -3.649  -5.111
 1781   2HG2  VAL  86          2HG2      VAL  86 -16.216  -2.351  -5.578
 1782   3HG2  VAL  86          3HG2      VAL  86 -14.999  -2.070  -4.332
 1783    H    VAL  87           H        VAL  87 -13.513  -4.214  -3.151
 1784    HA   VAL  87           HA       VAL  87 -12.602  -2.190  -1.226
 1785    HB   VAL  87           HB       VAL  87 -10.320  -3.273  -1.600
 1786   1HG1  VAL  87          1HG1      VAL  87 -12.638  -4.374  -0.130
 1787   2HG1  VAL  87          2HG1      VAL  87 -11.199  -5.392  -0.230
 1788   3HG1  VAL  87          3HG1      VAL  87 -11.090  -3.775   0.469
 1789   1HG2  VAL  87          1HG2      VAL  87 -11.837  -4.801  -3.469
 1790   2HG2  VAL  87          2HG2      VAL  87 -10.114  -4.890  -3.109
 1791   3HG2  VAL  87          3HG2      VAL  87 -11.255  -5.879  -2.199
 1792    H    PHE  88           H        PHE  88 -11.820  -0.331  -1.943
 1793    HA   PHE  88           HA       PHE  88 -11.361  -0.032  -4.824
 1794   1HB   PHE  88          2HB       PHE  88 -12.959   1.468  -3.402
 1795   2HB   PHE  88          3HB       PHE  88 -11.474   2.257  -2.877
 1796    HD1  PHE  88           HD1      PHE  88 -12.576   0.942  -6.194
 1797    HD2  PHE  88           HD2      PHE  88 -11.342   4.324  -3.911
 1798    HE1  PHE  88           HE1      PHE  88 -12.540   2.311  -8.232
 1799    HE2  PHE  88           HE2      PHE  88 -11.306   5.686  -5.947
 1800    HZ   PHE  88           HZ       PHE  88 -11.905   4.681  -8.109
 1801    H    CYS  89           H        CYS  89  -9.493   1.023  -5.642
 1802    HA   CYS  89           HA       CYS  89  -7.344   1.652  -5.771
 1803   1HB   CYS  89          2HB       CYS  89  -8.003   2.597  -3.270
 1804   2HB   CYS  89          3HB       CYS  89  -6.599   1.582  -2.947
 1805    H    LYS  90           H        LYS  90  -7.422  -0.629  -6.575
 1806    HA   LYS  90           HA       LYS  90  -6.076  -2.601  -4.931
 1807   1HB   LYS  90          2HB       LYS  90  -6.292  -4.050  -6.920
 1808   2HB   LYS  90          3HB       LYS  90  -7.830  -3.352  -6.433
 1809   1HG   LYS  90          2HG       LYS  90  -8.114  -2.612  -8.497
 1810   2HG   LYS  90          3HG       LYS  90  -6.701  -1.573  -8.298
 1811   1HD   LYS  90          2HD       LYS  90  -5.248  -3.278  -9.145
 1812   2HD   LYS  90          3HD       LYS  90  -6.557  -4.462  -9.147
 1813   1HE   LYS  90          2HE       LYS  90  -6.637  -3.890 -11.340
 1814   2HE   LYS  90          3HE       LYS  90  -7.676  -2.614 -10.709
 1815   1HZ   LYS  90          HZ1       LYS  90  -4.759  -2.220 -11.006
 1816   2HZ   LYS  90          HZ2       LYS  90  -5.823  -1.954 -12.300
 1817   3HZ   LYS  90          HZ3       LYS  90  -5.977  -1.046 -10.877
 1818    H    THR  91           H        THR  91  -5.048   0.017  -6.619
 1819    HA   THR  91           HA       THR  91  -2.878  -1.090  -8.080
 1820    HB   THR  91           HB       THR  91  -2.508   1.704  -7.513
 1821    HG1  THR  91           HG1      THR  91  -4.568   2.416  -8.271
 1822   1HG2  THR  91          1HG2      THR  91  -2.544  -0.099  -9.717
 1823   2HG2  THR  91          2HG2      THR  91  -3.622   1.247 -10.092
 1824   3HG2  THR  91          3HG2      THR  91  -1.938   1.556  -9.666
 1825    H    ALA  92           H        ALA  92  -1.827   1.640  -6.369
 1826    HA   ALA  92           HA       ALA  92   0.487   0.370  -5.450
 1827   1HB   ALA  92          1HB       ALA  92  -0.281   2.955  -5.815
 1828   2HB   ALA  92          2HB       ALA  92  -0.193   2.852  -4.057
 1829   3HB   ALA  92          3HB       ALA  92   1.215   2.444  -5.036
 1830    H    ALA  93           H        ALA  93  -2.383   1.431  -3.655
 1831    HA   ALA  93           HA       ALA  93  -1.406   0.612  -1.116
 1832   1HB   ALA  93          1HB       ALA  93  -4.225   1.142  -2.039
 1833   2HB   ALA  93          2HB       ALA  93  -3.722   0.946  -0.360
 1834   3HB   ALA  93          3HB       ALA  93  -3.123   2.309  -1.307
 1835    H    ARG  94           H        ARG  94  -3.055  -0.961  -3.698
 1836    HA   ARG  94           HA       ARG  94  -3.635  -3.095  -4.134
 1837   1HB   ARG  94          2HB       ARG  94  -1.210  -3.261  -3.004
 1838   2HB   ARG  94          3HB       ARG  94  -2.126  -4.207  -1.839
 1839   1HG   ARG  94          2HG       ARG  94  -1.767  -5.929  -3.200
 1840   2HG   ARG  94          3HG       ARG  94  -2.997  -5.207  -4.238
 1841   1HD   ARG  94          2HD       ARG  94  -0.330  -4.061  -4.588
 1842   2HD   ARG  94          3HD       ARG  94  -0.423  -5.778  -4.978
 1843    HE   ARG  94           HE       ARG  94  -1.843  -3.593  -6.320
 1844   1HH1  ARG  94          1HH1      ARG  94  -1.138  -7.008  -6.073
 1845   2HH1  ARG  94          2HH1      ARG  94  -1.716  -7.390  -7.660
 1846   1HH2  ARG  94          1HH2      ARG  94  -2.615  -4.071  -8.428
 1847   2HH2  ARG  94          2HH2      ARG  94  -2.549  -5.701  -9.009
 1848    H    ALA  95           H        ALA  95  -5.762  -2.339  -3.316
 1849    HA   ALA  95           HA       ALA  95  -6.742  -3.120  -0.771
 1850   1HB   ALA  95          1HB       ALA  95  -7.759  -1.472  -2.470
 1851   2HB   ALA  95          2HB       ALA  95  -8.468  -2.907  -3.211
 1852   3HB   ALA  95          3HB       ALA  95  -8.848  -2.498  -1.539
 1853    H    ALA  96           H        ALA  96  -5.828  -4.927  -3.447
 1854    HA   ALA  96           HA       ALA  96  -7.633  -7.051  -3.508
 1855   1HB   ALA  96          1HB       ALA  96  -5.325  -6.420  -4.824
 1856   2HB   ALA  96          2HB       ALA  96  -4.831  -7.813  -3.860
 1857   3HB   ALA  96          3HB       ALA  96  -6.195  -7.947  -4.972
 1858    H    LEU  97           H        LEU  97  -5.015  -6.311  -1.291
 1859    HA   LEU  97           HA       LEU  97  -4.978  -8.874  -0.012
 1860   1HB   LEU  97          2HB       LEU  97  -3.658  -6.293   0.342
 1861   2HB   LEU  97          3HB       LEU  97  -4.048  -7.073   1.868
 1862    HG   LEU  97           HG       LEU  97  -1.751  -7.558   1.014
 1863   1HD1  LEU  97          1HD1      LEU  97  -3.621  -9.902   1.315
 1864   2HD1  LEU  97          2HD1      LEU  97  -1.863  -9.972   1.453
 1865   3HD1  LEU  97          3HD1      LEU  97  -2.801  -9.032   2.614
 1866   1HD2  LEU  97          1HD2      LEU  97  -3.256  -8.273  -1.346
 1867   2HD2  LEU  97          2HD2      LEU  97  -1.520  -8.025  -1.146
 1868   3HD2  LEU  97          3HD2      LEU  97  -2.230  -9.603  -0.806
 1869    H    ALA  98           H        ALA  98  -6.844  -5.980   0.312
 1870    HA   ALA  98           HA       ALA  98  -7.857  -6.526   2.919
 1871   1HB   ALA  98          1HB       ALA  98  -7.779  -4.265   1.942
 1872   2HB   ALA  98          2HB       ALA  98  -8.997  -4.752   0.763
 1873   3HB   ALA  98          3HB       ALA  98  -9.398  -4.711   2.480
 1874    H    GLY  99           H        GLY  99  -9.063  -6.982  -0.370
 1875   1HA   GLY  99          1HA       GLY  99 -11.534  -8.111   0.602
 1876   2HA   GLY  99          2HA       GLY  99 -11.084  -7.870  -1.077
 1877    H    LYS 100           H        LYS 100  -8.668  -9.363  -1.098
 1878    HA   LYS 100           HA       LYS 100  -9.810 -11.865  -1.629
 1879   1HB   LYS 100          2HB       LYS 100  -7.868 -12.359  -2.675
 1880   2HB   LYS 100          3HB       LYS 100  -7.580 -10.636  -2.478
 1881   1HG   LYS 100          2HG       LYS 100  -5.794 -11.008  -1.215
 1882   2HG   LYS 100          3HG       LYS 100  -6.683 -12.111  -0.161
 1883   1HD   LYS 100          2HD       LYS 100  -6.309 -13.499  -2.562
 1884   2HD   LYS 100          3HD       LYS 100  -4.770 -12.700  -2.234
 1885   1HE   LYS 100          2HE       LYS 100  -4.298 -14.132  -0.596
 1886   2HE   LYS 100          3HE       LYS 100  -5.863 -13.856   0.169
 1887   1HZ   LYS 100          HZ1       LYS 100  -6.626 -15.387  -1.834
 1888   2HZ   LYS 100          HZ2       LYS 100  -5.043 -15.968  -1.669
 1889   3HZ   LYS 100          HZ3       LYS 100  -6.109 -16.029  -0.354
 1890    H    THR 101           H        THR 101  -8.204 -10.641   1.202
 1891    HA   THR 101           HA       THR 101  -7.803 -13.193   2.432
 1892    HB   THR 101           HB       THR 101  -7.996 -10.537   3.854
 1893    HG1  THR 101           HG1      THR 101  -6.291 -10.015   2.707
 1894   1HG2  THR 101          1HG2      THR 101  -7.872 -12.779   5.114
 1895   2HG2  THR 101          2HG2      THR 101  -6.216 -12.868   4.517
 1896   3HG2  THR 101          3HG2      THR 101  -6.711 -11.527   5.548
 1897    H    LEU 102           H        LEU 102 -10.360 -10.785   2.418
 1898    HA   LEU 102           HA       LEU 102 -11.802 -11.786   4.606
 1899   1HB   LEU 102          2HB       LEU 102 -12.343  -9.925   2.375
 1900   2HB   LEU 102          3HB       LEU 102 -13.739 -10.592   3.203
 1901    HG   LEU 102           HG       LEU 102 -11.506  -9.000   4.463
 1902   1HD1  LEU 102          1HD1      LEU 102 -14.301  -8.380   3.618
 1903   2HD1  LEU 102          2HD1      LEU 102 -13.595  -7.544   5.002
 1904   3HD1  LEU 102          3HD1      LEU 102 -12.827  -7.431   3.418
 1905   1HD2  LEU 102          1HD2      LEU 102 -12.630 -10.922   5.806
 1906   2HD2  LEU 102          2HD2      LEU 102 -12.453  -9.330   6.541
 1907   3HD2  LEU 102          3HD2      LEU 102 -14.009  -9.824   5.872
 1908    H    ARG 103           H        ARG 103 -11.961 -12.603   1.161
 1909    HA   ARG 103           HA       ARG 103 -14.325 -14.166   1.381
 1910   1HB   ARG 103          2HB       ARG 103 -13.344 -15.285  -0.771
 1911   2HB   ARG 103          3HB       ARG 103 -13.950 -13.639  -0.818
 1912   1HG   ARG 103          2HG       ARG 103 -11.986 -12.855  -1.452
 1913   2HG   ARG 103          3HG       ARG 103 -11.147 -13.691  -0.149
 1914   1HD   ARG 103          2HD       ARG 103 -12.084 -15.354  -2.390
 1915   2HD   ARG 103          3HD       ARG 103 -10.787 -14.222  -2.746
 1916    HE   ARG 103           HE       ARG 103  -9.499 -15.293  -0.966
 1917   1HH1  ARG 103          1HH1      ARG 103 -12.216 -17.036  -2.300
 1918   2HH1  ARG 103          2HH1      ARG 103 -11.594 -18.603  -1.881
 1919   1HH2  ARG 103          1HH2      ARG 103  -8.658 -17.346  -0.400
 1920   2HH2  ARG 103          2HH2      ARG 103  -9.581 -18.778  -0.773
 1921    H    GLU 104           H        GLU 104 -11.029 -14.756   2.139
 1922    HA   GLU 104           HA       GLU 104 -11.118 -17.611   2.239
 1923   1HB   GLU 104          2HB       GLU 104  -9.324 -15.931   3.960
 1924   2HB   GLU 104          3HB       GLU 104  -9.012 -17.512   3.258
 1925   1HG   GLU 104          2HG       GLU 104  -9.365 -16.002   1.035
 1926   2HG   GLU 104          3HG       GLU 104  -8.634 -14.839   2.141
 1927    H    TYR 105           H        TYR 105 -12.718 -15.307   4.016
 1928    HA   TYR 105           HA       TYR 105 -12.845 -17.057   6.376
 1929   1HB   TYR 105          HB2       TYR 105 -13.559 -14.122   6.217
 1930   2HB   TYR 105          HB3       TYR 105 -13.562 -15.122   7.668
 1931    HD1  TYR 105           HD1      TYR 105 -11.030 -16.633   7.253
 1932    HD2  TYR 105           HD2      TYR 105 -11.911 -12.506   6.713
 1933    HE1  TYR 105           HE1      TYR 105  -8.663 -16.088   7.632
 1934    HE2  TYR 105           HE2      TYR 105  -9.544 -11.950   7.090
 1935    HH   TYR 105           HH       TYR 105  -7.567 -13.040   8.293
 1936    H    GLY 106           H        GLY 106 -14.494 -16.031   3.634
 1937   1HA   GLY 106          1HA       GLY 106 -16.462 -17.118   2.943
 1938   2HA   GLY 106          2HA       GLY 106 -16.869 -17.398   4.627
 1939    H    PHE 107           H        PHE 107 -16.321 -14.584   2.508
 1940    HA   PHE 107           HA       PHE 107 -18.552 -13.232   3.814
 1941   1HB   PHE 107          2HB       PHE 107 -16.177 -12.383   2.318
 1942   2HB   PHE 107          3HB       PHE 107 -17.641 -11.501   1.892
 1943    HD1  PHE 107           HD1      PHE 107 -15.915 -12.730   4.969
 1944    HD2  PHE 107           HD2      PHE 107 -18.061  -9.583   3.074
 1945    HE1  PHE 107           HE1      PHE 107 -15.679 -11.351   6.996
 1946    HE2  PHE 107           HE2      PHE 107 -17.824  -8.198   5.094
 1947    HZ   PHE 107           HZ       PHE 107 -16.632  -9.083   7.058
 1948    H    LYS 108           H        LYS 108 -20.207 -12.217   2.510
 1949    HA   LYS 108           HA       LYS 108 -21.476 -14.038   0.829
 1950   1HB   LYS 108          2HB       LYS 108 -22.536 -12.188   2.181
 1951   2HB   LYS 108          3HB       LYS 108 -22.025 -11.070   0.925
 1952   1HG   LYS 108          2HG       LYS 108 -23.322 -12.871  -0.583
 1953   2HG   LYS 108          3HG       LYS 108 -24.210 -13.053   0.931
 1954   1HD   LYS 108          2HD       LYS 108 -24.608 -10.624   0.969
 1955   2HD   LYS 108          3HD       LYS 108 -23.749 -10.469  -0.565
 1956   1HE   LYS 108          2HE       LYS 108 -25.946 -12.434  -0.520
 1957   2HE   LYS 108          3HE       LYS 108 -26.429 -10.747  -0.343
 1958   1HZ   LYS 108          HZ1       LYS 108 -24.980 -10.338  -2.375
 1959   2HZ   LYS 108          HZ2       LYS 108 -24.997 -12.018  -2.596
 1960   3HZ   LYS 108          HZ3       LYS 108 -26.450 -11.144  -2.627
 1961    H    THR 109           H        THR 109 -20.476 -10.784  -0.202
 1962    HA   THR 109           HA       THR 109 -19.420 -11.935  -2.671
 1963    HB   THR 109           HB       THR 109 -20.849  -9.458  -3.216
 1964    HG1  THR 109           HG1      THR 109 -22.489 -11.728  -2.706
 1965   1HG2  THR 109          1HG2      THR 109 -19.851 -11.225  -4.799
 1966   2HG2  THR 109          2HG2      THR 109 -21.316 -12.149  -4.464
 1967   3HG2  THR 109          3HG2      THR 109 -21.430 -10.552  -5.203
 1968    H    ILE 110           H        ILE 110 -17.377 -11.261  -2.752
 1969    HA   ILE 110           HA       ILE 110 -16.825  -8.528  -1.808
 1970    HB   ILE 110           HB       ILE 110 -15.786 -10.468  -0.543
 1971   1HG1  ILE 110          2HG1      ILE 110 -13.493  -8.869  -1.405
 1972   2HG1  ILE 110          3HG1      ILE 110 -14.927  -7.918  -1.021
 1973   1HG2  ILE 110          1HG2      ILE 110 -14.718 -11.036  -3.161
 1974   2HG2  ILE 110          2HG2      ILE 110 -13.424 -10.811  -1.982
 1975   3HG2  ILE 110          3HG2      ILE 110 -14.682 -12.014  -1.693
 1976   1HD1  ILE 110          1HD1      ILE 110 -14.040 -10.046   0.862
 1977   2HD1  ILE 110          2HD1      ILE 110 -13.192  -8.499   0.825
 1978   3HD1  ILE 110          3HD1      ILE 110 -14.917  -8.548   1.180
 1979    H    TYR 111           H        TYR 111 -16.218  -7.082  -3.249
 1980    HA   TYR 111           HA       TYR 111 -15.313  -8.042  -5.882
 1981   1HB   TYR 111          HB2       TYR 111 -16.463  -5.303  -5.434
 1982   2HB   TYR 111          HB3       TYR 111 -16.423  -6.255  -6.909
 1983    HD1  TYR 111           HD1      TYR 111 -18.110  -5.883  -3.633
 1984    HD2  TYR 111           HD2      TYR 111 -18.228  -7.680  -7.492
 1985    HE1  TYR 111           HE1      TYR 111 -20.439  -6.569  -3.233
 1986    HE2  TYR 111           HE2      TYR 111 -20.559  -8.369  -7.102
 1987    HH   TYR 111           HH       TYR 111 -22.444  -7.812  -5.762
 1988    H    ASN 112           H        ASN 112 -13.626  -6.991  -6.907
 1989    HA   ASN 112           HA       ASN 112 -12.076  -5.096  -5.254
 1990   1HB   ASN 112          2HB       ASN 112 -11.026  -7.392  -5.926
 1991   2HB   ASN 112          3HB       ASN 112 -10.892  -6.674  -7.528
 1992   1HD2  ASN 112          1HD2      ASN 112  -8.752  -7.532  -5.871
 1993   2HD2  ASN 112          2HD2      ASN 112  -7.788  -6.141  -5.512
 1994    H    SER 113           H        SER 113 -11.568  -3.154  -6.191
 1995    HA   SER 113           HA       SER 113 -13.162  -2.508  -8.503
 1996   1HB   SER 113          2HB       SER 113 -11.399  -0.664  -6.899
 1997   2HB   SER 113          3HB       SER 113 -12.758  -0.222  -7.935
 1998    HG   SER 113           HG       SER 113 -12.841  -1.665  -5.491
 1999    H    GLU 114           H        GLU 114 -12.407  -2.808 -10.456
 2000    HA   GLU 114           HA       GLU 114  -9.677  -2.983 -11.167
 2001   1HB   GLU 114          2HB       GLU 114 -12.249  -3.053 -12.547
 2002   2HB   GLU 114          3HB       GLU 114 -10.990  -2.276 -13.498
 2003   1HG   GLU 114          2HG       GLU 114 -10.723  -4.993 -12.238
 2004   2HG   GLU 114          3HG       GLU 114 -11.246  -4.717 -13.897
 2005    H    GLY 115           H        GLY 115  -8.350  -1.515 -12.268
 2006   1HA   GLY 115          1HA       GLY 115  -7.657   0.602 -12.979
 2007   2HA   GLY 115          2HA       GLY 115  -9.210   1.260 -12.478
 2008    H    GLY 116           H        GLY 116  -9.298   2.333 -10.628
 2009   1HA   GLY 116          1HA       GLY 116  -8.229   1.764  -8.208
 2010   2HA   GLY 116          2HA       GLY 116  -6.923   2.621  -9.020
 2011    H    MET 117           H        MET 117  -7.150   4.276  -7.387
 2012    HA   MET 117           HA       MET 117  -9.501   5.788  -7.001
 2013   1HB   MET 117          2HB       MET 117  -7.650   5.942  -5.441
 2014   2HB   MET 117          3HB       MET 117  -6.589   6.554  -6.701
 2015   1HG   MET 117          2HG       MET 117  -8.897   8.233  -6.498
 2016   2HG   MET 117          3HG       MET 117  -8.181   8.013  -4.904
 2017   1HE   MET 117          1HE       MET 117  -5.357   7.680  -5.117
 2018   2HE   MET 117          2HE       MET 117  -4.504   9.176  -5.495
 2019   3HE   MET 117          3HE       MET 117  -5.716   9.156  -4.218
 2020    H    ASP 118           H        ASP 118  -6.951   5.900  -9.376
 2021    HA   ASP 118           HA       ASP 118  -7.486   8.395 -10.518
 2022   1HB   ASP 118          2HB       ASP 118  -5.808   7.847 -11.915
 2023   2HB   ASP 118          3HB       ASP 118  -5.641   6.397 -10.933
 2024    H    LYS 119           H        LYS 119  -9.006   5.238 -10.999
 2025    HA   LYS 119           HA       LYS 119 -10.469   6.009 -13.309
 2026   1HB   LYS 119          2HB       LYS 119 -10.163   3.654 -11.647
 2027   2HB   LYS 119          3HB       LYS 119 -11.847   3.916 -12.081
 2028   1HG   LYS 119          2HG       LYS 119 -10.755   2.460 -13.680
 2029   2HG   LYS 119          3HG       LYS 119 -11.231   3.978 -14.444
 2030   1HD   LYS 119          2HD       LYS 119  -8.659   4.461 -13.506
 2031   2HD   LYS 119          3HD       LYS 119  -8.597   2.807 -14.127
 2032   1HE   LYS 119          2HE       LYS 119  -8.380   3.671 -16.166
 2033   2HE   LYS 119          3HE       LYS 119 -10.052   4.208 -16.035
 2034   1HZ   LYS 119          HZ1       LYS 119  -8.270   6.007 -14.717
 2035   2HZ   LYS 119          HZ2       LYS 119  -7.835   5.798 -16.338
 2036   3HZ   LYS 119          HZ3       LYS 119  -9.400   6.316 -15.949
 2037    H    TRP 120           H        TRP 120 -11.043   6.170  -9.854
 2038    HA   TRP 120           HA       TRP 120 -13.830   6.614  -9.979
 2039   1HB   TRP 120          HB2       TRP 120 -12.305   6.083  -7.928
 2040   2HB   TRP 120          HB3       TRP 120 -12.112   7.831  -7.838
 2041    HD1  TRP 120           HD1      TRP 120 -14.083   9.218  -6.882
 2042    HE1  TRP 120           HE1      TRP 120 -16.351   8.638  -5.817
 2043    HE3  TRP 120           HE3      TRP 120 -14.252   4.229  -7.992
 2044    HZ2  TRP 120           HZ2      TRP 120 -17.973   6.371  -5.461
 2045    HZ3  TRP 120           HZ3      TRP 120 -16.200   2.923  -7.234
 2046    HH2  TRP 120           HH2      TRP 120 -18.018   3.977  -5.995
 2047    H    LEU 121           H        LEU 121 -11.115   8.960  -9.614
 2048    HA   LEU 121           HA       LEU 121 -12.706  11.247  -9.835
 2049   1HB   LEU 121          2HB       LEU 121  -9.789  10.690 -10.315
 2050   2HB   LEU 121          3HB       LEU 121 -10.462  12.285 -10.574
 2051    HG   LEU 121           HG       LEU 121 -10.564  10.822  -7.927
 2052   1HD1  LEU 121          1HD1      LEU 121  -8.262  11.315  -8.596
 2053   2HD1  LEU 121          2HD1      LEU 121  -8.698  13.007  -8.832
 2054   3HD1  LEU 121          3HD1      LEU 121  -8.774  12.294  -7.221
 2055   1HD2  LEU 121          1HD2      LEU 121 -11.643  13.364  -8.938
 2056   2HD2  LEU 121          2HD2      LEU 121 -12.165  12.363  -7.584
 2057   3HD2  LEU 121          3HD2      LEU 121 -10.798  13.461  -7.394
 2058    H    GLU 122           H        GLU 122 -10.928   9.384 -12.271
 2059    HA   GLU 122           HA       GLU 122 -11.277  11.128 -14.428
 2060   1HB   GLU 122          2HB       GLU 122 -10.198   8.530 -13.983
 2061   2HB   GLU 122          3HB       GLU 122 -11.236   8.455 -15.399
 2062   1HG   GLU 122          2HG       GLU 122  -9.959  10.572 -16.149
 2063   2HG   GLU 122          3HG       GLU 122  -8.764  10.065 -14.956
 2064    H    GLU 123           H        GLU 123 -13.375   8.634 -13.161
 2065    HA   GLU 123           HA       GLU 123 -15.115   8.685 -15.460
 2066   1HB   GLU 123          2HB       GLU 123 -14.623   6.856 -13.455
 2067   2HB   GLU 123          3HB       GLU 123 -16.217   7.474 -13.040
 2068   1HG   GLU 123          2HG       GLU 123 -16.658   5.647 -14.393
 2069   2HG   GLU 123          3HG       GLU 123 -16.821   7.025 -15.481
 2070    H    GLY 124           H        GLY 124 -14.667  10.751 -12.944
 2071   1HA   GLY 124          1HA       GLY 124 -15.880  12.560 -12.198
 2072   2HA   GLY 124          2HA       GLY 124 -17.049  12.216 -13.466
 2073    H    LEU 125           H        LEU 125 -16.149   9.821 -11.136
 2074    HA   LEU 125           HA       LEU 125 -18.851   9.443 -10.311
 2075   1HB   LEU 125          2HB       LEU 125 -16.217   8.293  -9.405
 2076   2HB   LEU 125          3HB       LEU 125 -17.737   7.852  -8.652
 2077    HG   LEU 125           HG       LEU 125 -17.189   7.481 -11.593
 2078   1HD1  LEU 125          1HD1      LEU 125 -16.246   5.980  -9.304
 2079   2HD1  LEU 125          2HD1      LEU 125 -17.218   4.994 -10.400
 2080   3HD1  LEU 125          3HD1      LEU 125 -15.800   5.851 -11.006
 2081   1HD2  LEU 125          1HD2      LEU 125 -19.573   7.597 -10.660
 2082   2HD2  LEU 125          2HD2      LEU 125 -19.145   6.191 -11.635
 2083   3HD2  LEU 125          3HD2      LEU 125 -19.204   6.059  -9.877
 2084    HA   PRO 126           HA       PRO 126 -19.264  11.998  -6.719
 2085   1HB   PRO 126          2HB       PRO 126 -19.986  10.188  -4.772
 2086   2HB   PRO 126          3HB       PRO 126 -21.103  10.851  -5.972
 2087   1HG   PRO 126          2HG       PRO 126 -19.604   8.252  -6.010
 2088   2HG   PRO 126          3HG       PRO 126 -21.309   8.566  -6.405
 2089   1HD   PRO 126          2HD       PRO 126 -19.528   8.271  -8.347
 2090   2HD   PRO 126          3HD       PRO 126 -20.772   9.535  -8.468
 2091    H    SER 127           H        SER 127 -17.316  12.777  -6.068
 2092    HA   SER 127           HA       SER 127 -15.778  11.077  -4.232
 2093   1HB   SER 127          2HB       SER 127 -13.910  12.787  -5.386
 2094   2HB   SER 127          3HB       SER 127 -14.113  11.073  -5.752
 2095    HG   SER 127           HG       SER 127 -15.739  11.826  -7.338
 2096    H    LEU 128           H        LEU 128 -14.700  12.186  -2.563
 2097    HA   LEU 128           HA       LEU 128 -15.699  14.904  -2.066
 2098   1HB   LEU 128          2HB       LEU 128 -15.208  12.576  -0.365
 2099   2HB   LEU 128          3HB       LEU 128 -14.438  14.029   0.240
 2100    HG   LEU 128           HG       LEU 128 -17.368  13.896  -0.449
 2101   1HD1  LEU 128          1HD1      LEU 128 -15.928  12.807   1.820
 2102   2HD1  LEU 128          2HD1      LEU 128 -17.129  14.007   2.301
 2103   3HD1  LEU 128          3HD1      LEU 128 -17.616  12.604   1.346
 2104   1HD2  LEU 128          1HD2      LEU 128 -15.617  16.016   0.158
 2105   2HD2  LEU 128          2HD2      LEU 128 -17.375  16.066   0.020
 2106   3HD2  LEU 128          3HD2      LEU 128 -16.621  15.763   1.585
 2107    H    ASP 129           H        ASP 129 -14.251  16.190  -3.030
 2108    HA   ASP 129           HA       ASP 129 -11.444  15.929  -2.211
 2109   1HB   ASP 129          2HB       ASP 129 -10.639  16.269  -4.421
 2110   2HB   ASP 129          3HB       ASP 129 -11.868  15.018  -4.552
 2111    H    ARG 130           H        ARG 130 -10.355  17.866  -1.929
 2112    HA   ARG 130           HA       ARG 130 -12.089  20.190  -1.742
 2113   1HB   ARG 130          2HB       ARG 130 -10.418  19.329   0.070
 2114   2HB   ARG 130          3HB       ARG 130  -9.201  20.128  -0.919
 2115   1HG   ARG 130          2HG       ARG 130 -10.756  22.182  -0.747
 2116   2HG   ARG 130          3HG       ARG 130 -11.474  21.316   0.612
 2117   1HD   ARG 130          2HD       ARG 130  -8.901  21.048   1.261
 2118   2HD   ARG 130          3HD       ARG 130  -8.793  22.545   0.335
 2119    HE   ARG 130           HE       ARG 130 -10.902  22.905   2.073
 2120   1HH1  ARG 130          1HH1      ARG 130  -7.496  22.131   2.376
 2121   2HH1  ARG 130          2HH1      ARG 130  -7.297  22.977   3.883
 2122   1HH2  ARG 130          1HH2      ARG 130 -10.661  23.991   4.085
 2123   2HH2  ARG 130          2HH2      ARG 130  -9.103  24.032   4.859
 2124    H    SER 131           H        SER 131 -12.298  21.153  -3.664
 2125    HA   SER 131           HA       SER 131 -10.575  21.104  -5.802
 2126   1HB   SER 131          2HB       SER 131 -12.105  23.616  -5.412
 2127   2HB   SER 131          3HB       SER 131 -12.072  22.517  -6.794
 2128    HG   SER 131           HG       SER 131 -13.344  21.053  -5.495
 2129    H    HIS 132           H        HIS 132  -8.666  21.972  -6.229
 2130    HA   HIS 132           HA       HIS 132  -7.324  23.520  -4.238
 2131   1HB   HIS 132          2HB       HIS 132  -6.440  22.788  -7.043
 2132   2HB   HIS 132          3HB       HIS 132  -5.397  23.453  -5.794
 2133    HD1  HIS 132           HD1      HIS 132  -4.102  21.098  -6.495
 2134    HD2  HIS 132           HD2      HIS 132  -7.565  20.791  -4.203
 2135    HE1  HIS 132           HE1      HIS 132  -4.040  18.808  -5.469
 2136    HE2  HIS 132           HE2      HIS 132  -6.238  18.568  -4.272
 2137    H    HIS 133           H        HIS 133  -9.341  25.113  -4.745
 2138    HA   HIS 133           HA       HIS 133  -8.710  26.991  -6.862
 2139   1HB   HIS 133          2HB       HIS 133 -11.074  26.158  -5.728
 2140   2HB   HIS 133          3HB       HIS 133 -10.849  27.754  -5.017
 2141    HD1  HIS 133           HD1      HIS 133 -10.892  29.794  -6.632
 2142    HD2  HIS 133           HD2      HIS 133 -11.617  26.126  -8.455
 2143    HE1  HIS 133           HE1      HIS 133 -11.784  30.337  -8.922
 2144    HE2  HIS 133           HE2      HIS 133 -12.018  28.103 -10.073
 2145    H    HIS 134           H        HIS 134  -6.605  27.241  -5.509
 2146    HA   HIS 134           HA       HIS 134  -6.810  29.892  -4.398
 2147   1HB   HIS 134          2HB       HIS 134  -6.934  28.028  -2.486
 2148   2HB   HIS 134          3HB       HIS 134  -5.186  28.053  -2.698
 2149    HD1  HIS 134           HD1      HIS 134  -6.267  28.974  -0.027
 2150    HD2  HIS 134           HD2      HIS 134  -5.672  31.551  -3.245
 2151    HE1  HIS 134           HE1      HIS 134  -6.062  31.274   0.968
 2152    HE2  HIS 134           HE2      HIS 134  -5.536  32.791  -0.977
 2153    H    HIS 135           H        HIS 135  -5.765  28.540  -6.724
 2154    HA   HIS 135           HA       HIS 135  -2.985  29.451  -6.536
 2155   1HB   HIS 135          2HB       HIS 135  -3.754  26.742  -6.671
 2156   2HB   HIS 135          3HB       HIS 135  -3.171  27.160  -8.279
 2157    HD1  HIS 135           HD1      HIS 135  -2.045  26.418  -4.857
 2158    HD2  HIS 135           HD2      HIS 135  -0.439  28.044  -8.333
 2159    HE1  HIS 135           HE1      HIS 135   0.450  26.407  -4.525
 2160    HE2  HIS 135           HE2      HIS 135   1.375  27.598  -6.546
 2161    H    HIS 136           H        HIS 136  -2.717  30.967  -8.016
 2162    HA   HIS 136           HA       HIS 136  -3.919  30.562 -10.663
 2163   1HB   HIS 136          2HB       HIS 136  -4.396  32.928 -10.899
 2164   2HB   HIS 136          3HB       HIS 136  -5.205  32.312  -9.466
 2165    HD1  HIS 136           HD1      HIS 136  -4.367  33.181  -7.163
 2166    HD2  HIS 136           HD2      HIS 136  -2.469  34.889 -10.445
 2167    HE1  HIS 136           HE1      HIS 136  -3.109  35.158  -6.264
 2168    HE2  HIS 136           HE2      HIS 136  -2.206  36.323  -8.302
 2169    H    HIS 137           H        HIS 137  -1.242  30.854  -8.842
 2170    HA   HIS 137           HA       HIS 137   0.489  30.955 -11.092
 2171   1HB   HIS 137          2HB       HIS 137   0.419  33.334 -10.883
 2172   2HB   HIS 137          3HB       HIS 137   0.457  33.255  -9.127
 2173    HD1  HIS 137           HD1      HIS 137   2.566  34.407  -8.512
 2174    HD2  HIS 137           HD2      HIS 137   3.122  31.735 -11.649
 2175    HE1  HIS 137           HE1      HIS 137   5.044  34.352  -8.922
 2176    HE2  HIS 137           HE2      HIS 137   5.374  32.610 -10.714
  Start of MODEL    2
    1   1H    ALA   1           H1       ALA   1 -24.224  -8.468  13.154
    2   2H    ALA   1           H2       ALA   1 -24.126  -7.036  12.249
    3   3H    ALA   1           H3       ALA   1 -22.751  -8.008  12.446
    4    HA   ALA   1           HA       ALA   1 -23.493  -5.858  13.961
    5   1HB   ALA   1          1HB       ALA   1 -25.127  -7.559  14.965
    6   2HB   ALA   1          2HB       ALA   1 -23.699  -8.279  15.712
    7   3HB   ALA   1          3HB       ALA   1 -24.134  -6.607  16.069
    8    H    ASP   2           H        ASP   2 -22.208  -7.859  16.234
    9    HA   ASP   2           HA       ASP   2 -19.582  -6.783  15.786
   10   1HB   ASP   2          2HB       ASP   2 -19.060  -7.773  17.991
   11   2HB   ASP   2          3HB       ASP   2 -20.509  -6.775  18.029
   12    H    MET   3           H        MET   3 -20.087  -8.533  13.732
   13    HA   MET   3           HA       MET   3 -18.756 -11.051  14.267
   14   1HB   MET   3          2HB       MET   3 -20.024  -9.753  11.935
   15   2HB   MET   3          3HB       MET   3 -18.649 -10.785  11.563
   16   1HG   MET   3          2HG       MET   3 -20.914 -11.730  13.283
   17   2HG   MET   3          3HG       MET   3 -20.968 -11.835  11.525
   18   1HE   MET   3          1HE       MET   3 -21.522 -13.920  13.308
   19   2HE   MET   3          2HE       MET   3 -20.762 -15.277  12.474
   20   3HE   MET   3          3HE       MET   3 -20.236 -14.833  14.099
   21    H    GLY   4           H        GLY   4 -17.967  -7.877  13.781
   22   1HA   GLY   4          1HA       GLY   4 -15.639  -7.788  12.318
   23   2HA   GLY   4          2HA       GLY   4 -15.972  -6.728  13.675
   24    H    GLU   5           H        GLU   5 -16.068  -9.089  15.509
   25    HA   GLU   5           HA       GLU   5 -13.275  -9.097  16.172
   26   1HB   GLU   5          2HB       GLU   5 -15.761  -9.756  17.478
   27   2HB   GLU   5          3HB       GLU   5 -14.571 -11.025  17.737
   28   1HG   GLU   5          2HG       GLU   5 -13.783  -9.785  19.391
   29   2HG   GLU   5          3HG       GLU   5 -13.147  -8.702  18.154
   30    H    LYS   6           H        LYS   6 -15.531 -11.349  14.696
   31    HA   LYS   6           HA       LYS   6 -14.119 -13.706  15.055
   32   1HB   LYS   6          2HB       LYS   6 -16.038 -14.436  14.201
   33   2HB   LYS   6          3HB       LYS   6 -16.447 -12.816  13.666
   34   1HG   LYS   6          2HG       LYS   6 -16.494 -13.775  11.645
   35   2HG   LYS   6          3HG       LYS   6 -14.744 -13.555  11.709
   36   1HD   LYS   6          2HD       LYS   6 -14.910 -15.786  11.137
   37   2HD   LYS   6          3HD       LYS   6 -14.775 -15.872  12.898
   38   1HE   LYS   6          2HE       LYS   6 -17.481 -15.602  12.494
   39   2HE   LYS   6          3HE       LYS   6 -16.983 -16.623  11.145
   40   1HZ   LYS   6          HZ1       LYS   6 -15.792 -18.006  12.869
   41   2HZ   LYS   6          HZ2       LYS   6 -16.656 -17.137  14.042
   42   3HZ   LYS   6          HZ3       LYS   6 -17.491 -18.072  12.896
   43    H    PHE   7           H        PHE   7 -13.967 -11.441  12.298
   44    HA   PHE   7           HA       PHE   7 -11.901 -13.104  11.122
   45   1HB   PHE   7          2HB       PHE   7 -12.010 -11.246   9.293
   46   2HB   PHE   7          3HB       PHE   7 -13.290 -12.442   9.423
   47    HD1  PHE   7           HD1      PHE   7 -12.417  -9.048  10.669
   48    HD2  PHE   7           HD2      PHE   7 -15.460 -11.724   9.386
   49    HE1  PHE   7           HE1      PHE   7 -14.060  -7.230  10.799
   50    HE2  PHE   7           HE2      PHE   7 -17.114  -9.909   9.520
   51    HZ   PHE   7           HZ       PHE   7 -16.409  -7.653  10.225
   52    H    ASP   8           H        ASP   8 -12.097 -10.281  13.027
   53    HA   ASP   8           HA       ASP   8  -9.896  -8.805  12.248
   54   1HB   ASP   8          2HB       ASP   8 -11.126  -7.756  13.902
   55   2HB   ASP   8          3HB       ASP   8 -11.271  -9.216  14.871
   56    H    ALA   9           H        ALA   9  -9.941 -11.483  14.619
   57    HA   ALA   9           HA       ALA   9  -7.170 -11.464  15.106
   58   1HB   ALA   9          1HB       ALA   9  -9.456 -13.150  15.780
   59   2HB   ALA   9          2HB       ALA   9  -7.935 -14.033  15.639
   60   3HB   ALA   9          3HB       ALA   9  -8.065 -12.674  16.756
   61    H    THR  10           H        THR  10  -9.129 -13.020  12.655
   62    HA   THR  10           HA       THR  10  -7.105 -14.804  11.740
   63    HB   THR  10           HB       THR  10  -9.109 -13.941   9.762
   64    HG1  THR  10           HG1      THR  10 -10.770 -15.096  11.024
   65   1HG2  THR  10          1HG2      THR  10  -7.932 -16.463  10.834
   66   2HG2  THR  10          2HG2      THR  10  -9.506 -16.542  10.043
   67   3HG2  THR  10          3HG2      THR  10  -8.109 -15.923   9.164
   68    H    PHE  11           H        PHE  11  -8.194 -11.574  10.758
   69    HA   PHE  11           HA       PHE  11  -6.509 -11.201   8.546
   70   1HB   PHE  11          2HB       PHE  11  -8.378  -9.661   9.834
   71   2HB   PHE  11          3HB       PHE  11  -6.887  -8.827  10.257
   72    HD1  PHE  11           HD1      PHE  11  -5.256  -9.065   7.888
   73    HD2  PHE  11           HD2      PHE  11  -9.454  -8.421   8.225
   74    HE1  PHE  11           HE1      PHE  11  -5.264  -7.973   5.683
   75    HE2  PHE  11           HE2      PHE  11  -9.465  -7.326   6.022
   76    HZ   PHE  11           HZ       PHE  11  -7.367  -7.109   4.745
   77    H    LYS  12           H        LYS  12  -5.972 -10.832  11.979
   78    HA   LYS  12           HA       LYS  12  -3.396  -9.676  11.902
   79   1HB   LYS  12          2HB       LYS  12  -5.253 -10.310  13.821
   80   2HB   LYS  12          3HB       LYS  12  -3.980 -11.471  14.137
   81   1HG   LYS  12          2HG       LYS  12  -3.368  -9.716  15.483
   82   2HG   LYS  12          3HG       LYS  12  -2.418  -9.400  14.027
   83   1HD   LYS  12          2HD       LYS  12  -3.403  -7.337  14.673
   84   2HD   LYS  12          3HD       LYS  12  -4.287  -7.914  13.256
   85   1HE   LYS  12          2HE       LYS  12  -5.999  -8.865  14.803
   86   2HE   LYS  12          3HE       LYS  12  -5.156  -8.086  16.140
   87   1HZ   LYS  12          HZ1       LYS  12  -5.705  -6.261  14.008
   88   2HZ   LYS  12          HZ2       LYS  12  -7.129  -6.983  14.603
   89   3HZ   LYS  12          HZ3       LYS  12  -6.096  -6.150  15.660
   90    H    ALA  13           H        ALA  13  -4.573 -12.951  11.711
   91    HA   ALA  13           HA       ALA  13  -2.033 -14.194  12.163
   92   1HB   ALA  13          1HB       ALA  13  -4.542 -15.081  12.383
   93   2HB   ALA  13          2HB       ALA  13  -4.156 -15.697  10.776
   94   3HB   ALA  13          3HB       ALA  13  -3.156 -16.147  12.157
   95    H    GLN  14           H        GLN  14  -4.040 -13.549   9.311
   96    HA   GLN  14           HA       GLN  14  -2.316 -14.879   7.503
   97   1HB   GLN  14          2HB       GLN  14  -4.628 -13.019   7.255
   98   2HB   GLN  14          3HB       GLN  14  -3.603 -13.237   5.844
   99   1HG   GLN  14          2HG       GLN  14  -4.063 -15.813   6.742
  100   2HG   GLN  14          3HG       GLN  14  -5.604 -14.991   6.978
  101   1HE2  GLN  14          1HE2      GLN  14  -6.852 -15.602   5.356
  102   2HE2  GLN  14          2HE2      GLN  14  -6.434 -15.554   3.674
  103    H    VAL  15           H        VAL  15  -2.789 -11.416   8.163
  104    HA   VAL  15           HA       VAL  15  -0.848 -10.520   6.372
  105    HB   VAL  15           HB       VAL  15  -2.061  -9.259   8.815
  106   1HG1  VAL  15          1HG1      VAL  15   0.442  -8.554   7.966
  107   2HG1  VAL  15          2HG1      VAL  15  -0.589  -7.456   7.049
  108   3HG1  VAL  15          3HG1      VAL  15  -0.684  -7.490   8.809
  109   1HG2  VAL  15          1HG2      VAL  15  -3.089  -9.630   6.376
  110   2HG2  VAL  15          2HG2      VAL  15  -3.470  -8.223   7.370
  111   3HG2  VAL  15          3HG2      VAL  15  -2.252  -8.102   6.098
  112    H    LYS  16           H        LYS  16  -0.535 -11.613   9.695
  113    HA   LYS  16           HA       LYS  16   2.060 -10.710  10.232
  114   1HB   LYS  16          2HB       LYS  16   0.210 -12.668  11.360
  115   2HB   LYS  16          3HB       LYS  16   1.896 -13.143  11.533
  116   1HG   LYS  16          2HG       LYS  16   2.401 -11.041  12.637
  117   2HG   LYS  16          3HG       LYS  16   0.732 -10.512  12.410
  118   1HD   LYS  16          2HD       LYS  16   0.443 -12.953  13.649
  119   2HD   LYS  16          3HD       LYS  16   1.874 -12.276  14.430
  120   1HE   LYS  16          2HE       LYS  16  -0.256 -10.324  14.099
  121   2HE   LYS  16          3HE       LYS  16  -0.756 -11.713  15.061
  122   1HZ   LYS  16          HZ1       LYS  16   1.845 -10.598  15.718
  123   2HZ   LYS  16          HZ2       LYS  16   0.519  -9.600  16.064
  124   3HZ   LYS  16          HZ3       LYS  16   0.608 -11.154  16.739
  125    H    ALA  17           H        ALA  17   0.926 -13.520   8.452
  126    HA   ALA  17           HA       ALA  17   3.391 -14.887   8.303
  127   1HB   ALA  17          1HB       ALA  17   0.845 -14.991   6.745
  128   2HB   ALA  17          2HB       ALA  17   2.263 -15.873   6.172
  129   3HB   ALA  17          3HB       ALA  17   1.590 -16.224   7.765
  130    H    ALA  18           H        ALA  18   2.058 -12.226   6.512
  131    HA   ALA  18           HA       ALA  18   3.888 -12.373   4.317
  132   1HB   ALA  18          1HB       ALA  18   1.535 -11.130   4.635
  133   2HB   ALA  18          2HB       ALA  18   2.629  -9.781   4.947
  134   3HB   ALA  18          3HB       ALA  18   2.724 -10.660   3.420
  135    H    LYS  19           H        LYS  19   3.888 -10.822   7.455
  136    HA   LYS  19           HA       LYS  19   6.240  -9.225   6.937
  137   1HB   LYS  19          2HB       LYS  19   5.253  -8.130   8.643
  138   2HB   LYS  19          3HB       LYS  19   4.266  -9.518   9.068
  139   1HG   LYS  19          2HG       LYS  19   6.201 -10.452  10.304
  140   2HG   LYS  19          3HG       LYS  19   7.088  -8.968   9.954
  141   1HD   LYS  19          2HD       LYS  19   5.566  -7.659  11.232
  142   2HD   LYS  19          3HD       LYS  19   4.432  -9.005  11.378
  143   1HE   LYS  19          2HE       LYS  19   5.437  -9.141  13.422
  144   2HE   LYS  19          3HE       LYS  19   6.523 -10.175  12.498
  145   1HZ   LYS  19          HZ1       LYS  19   7.817  -7.996  12.118
  146   2HZ   LYS  19          HZ2       LYS  19   6.955  -7.423  13.456
  147   3HZ   LYS  19          HZ3       LYS  19   7.958  -8.780  13.612
  148    H    ALA  20           H        ALA  20   5.412 -12.366   7.906
  149    HA   ALA  20           HA       ALA  20   7.883 -13.005   9.242
  150   1HB   ALA  20          1HB       ALA  20   5.351 -14.117   9.213
  151   2HB   ALA  20          2HB       ALA  20   6.351 -15.307   8.379
  152   3HB   ALA  20          3HB       ALA  20   6.781 -14.778  10.006
  153    H    ASP  21           H        ASP  21   6.830 -12.935   5.993
  154    HA   ASP  21           HA       ASP  21   8.624 -15.008   5.097
  155   1HB   ASP  21          2HB       ASP  21   6.308 -13.794   4.073
  156   2HB   ASP  21          3HB       ASP  21   7.600 -13.373   2.953
  157    H    MET  22           H        MET  22   9.587 -12.380   6.325
  158    HA   MET  22           HA       MET  22  11.785 -12.061   4.455
  159   1HB   MET  22          2HB       MET  22  11.610  -9.523   4.684
  160   2HB   MET  22          3HB       MET  22  10.468 -10.308   3.600
  161   1HG   MET  22          2HG       MET  22   9.110 -10.316   5.964
  162   2HG   MET  22          3HG       MET  22  10.004  -8.799   6.052
  163   1HE   MET  22          1HE       MET  22  10.172  -8.943   2.716
  164   2HE   MET  22          2HE       MET  22   8.848  -7.950   2.107
  165   3HE   MET  22          3HE       MET  22   9.968  -7.292   3.300
  166    H    VAL  23           H        VAL  23  13.627 -10.958   5.409
  167    HA   VAL  23           HA       VAL  23  13.931 -11.639   8.180
  168    HB   VAL  23           HB       VAL  23  15.844 -10.109   6.402
  169   1HG1  VAL  23          1HG1      VAL  23  16.142  -9.987   8.923
  170   2HG1  VAL  23          2HG1      VAL  23  16.515 -11.709   8.858
  171   3HG1  VAL  23          3HG1      VAL  23  17.526 -10.555   7.990
  172   1HG2  VAL  23          1HG2      VAL  23  15.009 -12.685   6.011
  173   2HG2  VAL  23          2HG2      VAL  23  16.558 -12.025   5.484
  174   3HG2  VAL  23          3HG2      VAL  23  16.447 -12.907   7.009
  175    H    MET  24           H        MET  24  12.836 -10.392   9.575
  176    HA   MET  24           HA       MET  24  12.351  -7.628   9.158
  177   1HB   MET  24          2HB       MET  24  11.994  -9.425  11.555
  178   2HB   MET  24          3HB       MET  24  11.527  -7.730  11.552
  179   1HG   MET  24          2HG       MET  24  10.465  -9.117   9.256
  180   2HG   MET  24          3HG       MET  24   9.986  -9.897  10.762
  181   1HE   MET  24          1HE       MET  24   9.931  -6.889   8.511
  182   2HE   MET  24          2HE       MET  24   8.375  -7.690   8.294
  183   3HE   MET  24          3HE       MET  24   8.443  -6.063   8.968
  184    H    LEU  25           H        LEU  25  13.570  -5.937   9.616
  185    HA   LEU  25           HA       LEU  25  15.636  -6.116  11.681
  186   1HB   LEU  25          2HB       LEU  25  16.112  -6.128   8.857
  187   2HB   LEU  25          3HB       LEU  25  16.692  -4.610   9.513
  188    HG   LEU  25           HG       LEU  25  17.650  -7.391  10.061
  189   1HD1  LEU  25          1HD1      LEU  25  18.555  -5.327   8.503
  190   2HD1  LEU  25          2HD1      LEU  25  19.515  -5.151   9.972
  191   3HD1  LEU  25          3HD1      LEU  25  19.529  -6.678   9.085
  192   1HD2  LEU  25          1HD2      LEU  25  17.101  -6.282  12.249
  193   2HD2  LEU  25          2HD2      LEU  25  18.794  -6.723  12.031
  194   3HD2  LEU  25          3HD2      LEU  25  18.287  -5.045  11.834
  195    H    SER  26           H        SER  26  16.299  -4.088  12.479
  196    HA   SER  26           HA       SER  26  14.245  -2.057  12.303
  197   1HB   SER  26          2HB       SER  26  16.465  -1.224  13.898
  198   2HB   SER  26          3HB       SER  26  14.859  -1.725  14.437
  199    HG   SER  26           HG       SER  26  16.592  -3.020  15.298
  200    HA   PRO  27           HA       PRO  27  16.026   0.414   9.124
  201   1HB   PRO  27          2HB       PRO  27  15.580   2.906  10.362
  202   2HB   PRO  27          3HB       PRO  27  14.503   2.071   9.240
  203   1HG   PRO  27          2HG       PRO  27  14.454   2.138  12.220
  204   2HG   PRO  27          3HG       PRO  27  13.104   2.087  11.071
  205   1HD   PRO  27          2HD       PRO  27  13.804  -0.087  12.425
  206   2HD   PRO  27          3HD       PRO  27  13.340  -0.207  10.717
  207    H    LYS  28           H        LYS  28  17.175   0.673  12.409
  208    HA   LYS  28           HA       LYS  28  19.380   2.411  11.832
  209   1HB   LYS  28          2HB       LYS  28  18.392   0.871  14.152
  210   2HB   LYS  28          3HB       LYS  28  20.134   1.114  14.088
  211   1HG   LYS  28          2HG       LYS  28  19.733   3.549  13.855
  212   2HG   LYS  28          3HG       LYS  28  18.008   3.243  14.083
  213   1HD   LYS  28          2HD       LYS  28  19.278   1.905  16.181
  214   2HD   LYS  28          3HD       LYS  28  20.111   3.455  16.047
  215   1HE   LYS  28          2HE       LYS  28  18.413   4.099  17.406
  216   2HE   LYS  28          3HE       LYS  28  17.613   4.335  15.853
  217   1HZ   LYS  28          HZ1       LYS  28  17.389   1.681  17.033
  218   2HZ   LYS  28          HZ2       LYS  28  16.553   2.926  17.829
  219   3HZ   LYS  28          HZ3       LYS  28  16.231   2.599  16.194
  220    H    ASP  29           H        ASP  29  18.967  -1.096  12.242
  221    HA   ASP  29           HA       ASP  29  21.724  -1.654  11.612
  222   1HB   ASP  29          2HB       ASP  29  19.866  -3.088  12.947
  223   2HB   ASP  29          3HB       ASP  29  19.726  -3.828  11.351
  224    H    ALA  30           H        ALA  30  18.729  -1.404   9.934
  225    HA   ALA  30           HA       ALA  30  19.560  -2.697   7.528
  226   1HB   ALA  30          1HB       ALA  30  17.169  -2.247   8.213
  227   2HB   ALA  30          2HB       ALA  30  17.438  -0.577   7.714
  228   3HB   ALA  30          3HB       ALA  30  17.581  -1.883   6.535
  229    H    TYR  31           H        TYR  31  19.685   0.574   8.779
  230    HA   TYR  31           HA       TYR  31  20.509   1.781   6.334
  231   1HB   TYR  31          HB2       TYR  31  19.396   3.171   7.893
  232   2HB   TYR  31          HB3       TYR  31  20.471   2.699   9.200
  233    HD1  TYR  31           HD1      TYR  31  20.334   4.557   6.003
  234    HD2  TYR  31           HD2      TYR  31  22.394   3.954   9.672
  235    HE1  TYR  31           HE1      TYR  31  21.721   6.532   5.543
  236    HE2  TYR  31           HE2      TYR  31  23.794   5.922   9.225
  237    HH   TYR  31           HH       TYR  31  24.192   7.632   7.874
  238    H    LYS  32           H        LYS  32  22.248   0.604   9.197
  239    HA   LYS  32           HA       LYS  32  24.701   1.773   8.572
  240   1HB   LYS  32          2HB       LYS  32  25.710   0.272  10.181
  241   2HB   LYS  32          3HB       LYS  32  24.175   0.866  10.792
  242   1HG   LYS  32          2HG       LYS  32  23.128  -1.202  10.499
  243   2HG   LYS  32          3HG       LYS  32  24.394  -1.787   9.417
  244   1HD   LYS  32          2HD       LYS  32  25.766  -1.199  11.732
  245   2HD   LYS  32          3HD       LYS  32  24.239  -1.856  12.324
  246   1HE   LYS  32          2HE       LYS  32  25.010  -3.507  10.197
  247   2HE   LYS  32          3HE       LYS  32  26.476  -3.216  11.133
  248   1HZ   LYS  32          HZ1       LYS  32  23.947  -4.019  12.443
  249   2HZ   LYS  32          HZ2       LYS  32  25.014  -5.171  11.794
  250   3HZ   LYS  32          HZ3       LYS  32  25.534  -4.135  13.035
  251    H    LEU  33           H        LEU  33  23.426  -1.411   7.612
  252    HA   LEU  33           HA       LEU  33  25.854  -2.122   6.248
  253   1HB   LEU  33          2HB       LEU  33  24.163  -3.802   5.103
  254   2HB   LEU  33          3HB       LEU  33  24.792  -4.069   6.713
  255    HG   LEU  33           HG       LEU  33  22.529  -2.671   7.279
  256   1HD1  LEU  33          1HD1      LEU  33  22.113  -2.962   4.688
  257   2HD1  LEU  33          2HD1      LEU  33  21.551  -4.555   5.197
  258   3HD1  LEU  33          3HD1      LEU  33  20.796  -3.102   5.855
  259   1HD2  LEU  33          1HD2      LEU  33  22.918  -5.641   6.940
  260   2HD2  LEU  33          2HD2      LEU  33  23.186  -4.685   8.399
  261   3HD2  LEU  33          3HD2      LEU  33  21.550  -4.909   7.778
  262    H    LEU  34           H        LEU  34  23.005  -0.352   5.505
  263    HA   LEU  34           HA       LEU  34  22.963  -0.522   2.709
  264   1HB   LEU  34          2HB       LEU  34  21.829   1.221   4.777
  265   2HB   LEU  34          3HB       LEU  34  22.086   2.022   3.240
  266    HG   LEU  34           HG       LEU  34  20.531  -0.544   3.517
  267   1HD1  LEU  34          1HD1      LEU  34  19.547   1.373   4.812
  268   2HD1  LEU  34          2HD1      LEU  34  19.399   2.238   3.282
  269   3HD1  LEU  34          3HD1      LEU  34  18.524   0.727   3.529
  270   1HD2  LEU  34          1HD2      LEU  34  21.073   1.410   1.318
  271   2HD2  LEU  34          2HD2      LEU  34  21.165  -0.352   1.299
  272   3HD2  LEU  34          3HD2      LEU  34  19.593   0.449   1.316
  273    H    GLN  35           H        GLN  35  24.391   2.005   4.784
  274    HA   GLN  35           HA       GLN  35  25.550   3.350   2.555
  275   1HB   GLN  35          2HB       GLN  35  26.175   3.702   5.489
  276   2HB   GLN  35          3HB       GLN  35  26.551   4.836   4.199
  277   1HG   GLN  35          2HG       GLN  35  23.727   4.015   4.662
  278   2HG   GLN  35          3HG       GLN  35  24.480   5.210   5.718
  279   1HE2  GLN  35          1HE2      GLN  35  23.849   7.154   5.155
  280   2HE2  GLN  35          2HE2      GLN  35  23.701   7.751   3.536
  281    H    GLU  36           H        GLU  36  26.682   0.906   4.764
  282    HA   GLU  36           HA       GLU  36  29.444   1.357   4.105
  283   1HB   GLU  36          2HB       GLU  36  29.929   0.057   5.888
  284   2HB   GLU  36          3HB       GLU  36  28.254   0.377   6.302
  285   1HG   GLU  36          2HG       GLU  36  27.592  -1.746   5.860
  286   2HG   GLU  36          3HG       GLU  36  28.813  -1.988   4.609
  287    H    ASN  37           H        ASN  37  26.875  -0.577   2.888
  288    HA   ASN  37           HA       ASN  37  28.798  -1.961   1.133
  289   1HB   ASN  37          2HB       ASN  37  26.240  -2.961   2.367
  290   2HB   ASN  37          3HB       ASN  37  26.868  -3.671   0.883
  291   1HD2  ASN  37          1HD2      ASN  37  26.713  -4.102   4.065
  292   2HD2  ASN  37          2HD2      ASN  37  28.169  -5.001   4.336
  293    HA   PRO  38           HA       PRO  38  26.471   0.617  -1.778
  294   1HB   PRO  38          2HB       PRO  38  28.483  -0.333  -3.686
  295   2HB   PRO  38          3HB       PRO  38  28.124   1.316  -3.169
  296   1HG   PRO  38          2HG       PRO  38  30.394   0.045  -2.453
  297   2HG   PRO  38          3HG       PRO  38  29.592   1.225  -1.402
  298   1HD   PRO  38          2HD       PRO  38  29.545  -1.767  -1.277
  299   2HD   PRO  38          3HD       PRO  38  29.663  -0.583   0.044
  300    H    ASP  39           H        ASP  39  26.849  -2.654  -1.502
  301    HA   ASP  39           HA       ASP  39  25.507  -3.327  -4.005
  302   1HB   ASP  39          2HB       ASP  39  27.528  -4.621  -2.828
  303   2HB   ASP  39          3HB       ASP  39  26.199  -5.405  -1.976
  304    H    ILE  40           H        ILE  40  24.980  -2.958  -0.621
  305    HA   ILE  40           HA       ILE  40  22.412  -4.305  -0.672
  306    HB   ILE  40           HB       ILE  40  23.750  -2.713   1.523
  307   1HG1  ILE  40          2HG1      ILE  40  23.388  -5.690   1.098
  308   2HG1  ILE  40          3HG1      ILE  40  24.905  -4.803   1.021
  309   1HG2  ILE  40          1HG2      ILE  40  21.285  -2.645   1.654
  310   2HG2  ILE  40          2HG2      ILE  40  21.256  -4.409   1.660
  311   3HG2  ILE  40          3HG2      ILE  40  22.010  -3.534   2.995
  312   1HD1  ILE  40          1HD1      ILE  40  23.402  -4.586   3.546
  313   2HD1  ILE  40          2HD1      ILE  40  24.094  -6.165   3.169
  314   3HD1  ILE  40          3HD1      ILE  40  25.136  -4.744   3.258
  315    H    THR  41           H        THR  41  20.806  -3.324  -1.614
  316    HA   THR  41           HA       THR  41  20.685  -0.390  -1.599
  317    HB   THR  41           HB       THR  41  18.913  -2.014  -3.367
  318    HG1  THR  41           HG1      THR  41  21.468  -2.550  -3.250
  319   1HG2  THR  41          1HG2      THR  41  20.073   0.675  -3.256
  320   2HG2  THR  41          2HG2      THR  41  20.125  -0.064  -4.857
  321   3HG2  THR  41          3HG2      THR  41  18.583   0.114  -4.015
  322    H    LEU  42           H        LEU  42  18.792   0.711  -0.992
  323    HA   LEU  42           HA       LEU  42  16.838  -0.925   0.468
  324   1HB   LEU  42          2HB       LEU  42  17.750   0.750   1.917
  325   2HB   LEU  42          3HB       LEU  42  17.579   1.993   0.690
  326    HG   LEU  42           HG       LEU  42  15.067   1.682   0.909
  327   1HD1  LEU  42          1HD1      LEU  42  15.755  -0.534   2.355
  328   2HD1  LEU  42          2HD1      LEU  42  15.357   0.631   3.617
  329   3HD1  LEU  42          3HD1      LEU  42  14.175   0.246   2.368
  330   1HD2  LEU  42          1HD2      LEU  42  16.916   3.140   2.466
  331   2HD2  LEU  42          2HD2      LEU  42  15.227   3.526   2.129
  332   3HD2  LEU  42          3HD2      LEU  42  15.649   2.573   3.554
  333    H    ILE  43           H        ILE  43  14.915  -1.173  -0.353
  334    HA   ILE  43           HA       ILE  43  14.023   0.662  -2.474
  335    HB   ILE  43           HB       ILE  43  13.345  -2.247  -2.039
  336   1HG1  ILE  43          2HG1      ILE  43  13.941  -1.288  -4.727
  337   2HG1  ILE  43          3HG1      ILE  43  15.247  -0.964  -3.592
  338   1HG2  ILE  43          1HG2      ILE  43  11.916  -0.216  -3.750
  339   2HG2  ILE  43          2HG2      ILE  43  11.767  -1.958  -3.978
  340   3HG2  ILE  43          3HG2      ILE  43  11.232  -1.217  -2.469
  341   1HD1  ILE  43          1HD1      ILE  43  14.835  -3.488  -2.952
  342   2HD1  ILE  43          2HD1      ILE  43  14.187  -3.543  -4.590
  343   3HD1  ILE  43          3HD1      ILE  43  15.852  -3.029  -4.317
  344    H    ASP  44           H        ASP  44  12.843   2.143  -1.538
  345    HA   ASP  44           HA       ASP  44  11.188   1.517   0.753
  346   1HB   ASP  44          2HB       ASP  44  12.173   3.641   0.943
  347   2HB   ASP  44          3HB       ASP  44  11.867   4.037  -0.741
  348    H    VAL  45           H        VAL  45   9.159   0.911   0.626
  349    HA   VAL  45           HA       VAL  45   7.808   1.185  -1.973
  350    HB   VAL  45           HB       VAL  45   6.757  -0.740   0.037
  351   1HG1  VAL  45          1HG1      VAL  45   5.901  -0.234  -2.349
  352   2HG1  VAL  45          2HG1      VAL  45   7.270  -1.216  -2.880
  353   3HG1  VAL  45          3HG1      VAL  45   6.030  -1.919  -1.838
  354   1HG2  VAL  45          1HG2      VAL  45   9.387  -1.077  -1.376
  355   2HG2  VAL  45          2HG2      VAL  45   8.999  -1.361   0.320
  356   3HG2  VAL  45          3HG2      VAL  45   8.400  -2.465  -0.918
  357    H    ARG  46           H        ARG  46   6.836   3.051  -1.771
  358    HA   ARG  46           HA       ARG  46   4.545   3.314  -0.064
  359   1HB   ARG  46          2HB       ARG  46   6.987   4.213   0.943
  360   2HB   ARG  46          3HB       ARG  46   6.238   5.663   0.292
  361   1HG   ARG  46          2HG       ARG  46   4.256   4.275   1.756
  362   2HG   ARG  46          3HG       ARG  46   5.716   4.340   2.750
  363   1HD   ARG  46          2HD       ARG  46   5.525   6.534   3.072
  364   2HD   ARG  46          3HD       ARG  46   5.179   6.841   1.376
  365    HE   ARG  46           HE       ARG  46   3.346   7.052   3.396
  366   1HH1  ARG  46          1HH1      ARG  46   3.420   4.959   0.565
  367   2HH1  ARG  46          2HH1      ARG  46   1.733   5.161   0.225
  368   1HH2  ARG  46          1HH2      ARG  46   1.166   7.254   2.983
  369   2HH2  ARG  46          2HH2      ARG  46   0.442   6.470   1.602
  370    H    ASP  47           H        ASP  47   4.216   6.115  -0.393
  371    HA   ASP  47           HA       ASP  47   4.168   6.307  -3.324
  372   1HB   ASP  47          2HB       ASP  47   2.121   7.251  -1.307
  373   2HB   ASP  47          3HB       ASP  47   2.069   7.634  -3.027
  374    HA   PRO  48           HA       PRO  48   6.661   9.804  -3.017
  375   1HB   PRO  48          2HB       PRO  48   5.761  11.260  -5.180
  376   2HB   PRO  48          3HB       PRO  48   6.861   9.881  -5.274
  377   1HG   PRO  48          2HG       PRO  48   3.904   9.983  -5.704
  378   2HG   PRO  48          3HG       PRO  48   5.139   9.096  -6.618
  379   1HD   PRO  48          2HD       PRO  48   3.578   7.861  -4.831
  380   2HD   PRO  48          3HD       PRO  48   5.288   7.417  -5.022
  381    H    ASP  49           H        ASP  49   3.195  10.413  -3.064
  382    HA   ASP  49           HA       ASP  49   3.464  13.213  -2.606
  383   1HB   ASP  49          2HB       ASP  49   1.329  11.523  -3.240
  384   2HB   ASP  49          3HB       ASP  49   0.925  12.206  -1.664
  385    H    GLU  50           H        GLU  50   2.698  10.487  -0.442
  386    HA   GLU  50           HA       GLU  50   2.747  12.137   1.900
  387   1HB   GLU  50          2HB       GLU  50   1.996   9.490   1.363
  388   2HB   GLU  50          3HB       GLU  50   3.364   9.367   2.463
  389   1HG   GLU  50          2HG       GLU  50   2.118  11.154   3.845
  390   2HG   GLU  50          3HG       GLU  50   0.714  10.684   2.892
  391    H    LEU  51           H        LEU  51   5.070  10.489  -0.039
  392    HA   LEU  51           HA       LEU  51   7.277  10.488   1.750
  393   1HB   LEU  51          2HB       LEU  51   6.820   9.789  -0.936
  394   2HB   LEU  51          3HB       LEU  51   8.058  11.031  -0.969
  395    HG   LEU  51           HG       LEU  51   9.197   9.558   0.872
  396   1HD1  LEU  51          1HD1      LEU  51   6.929   8.045   0.430
  397   2HD1  LEU  51          2HD1      LEU  51   8.185   7.201  -0.476
  398   3HD1  LEU  51          3HD1      LEU  51   8.400   7.517   1.246
  399   1HD2  LEU  51          1HD2      LEU  51   9.143   9.262  -2.083
  400   2HD2  LEU  51          2HD2      LEU  51  10.455   9.770  -1.019
  401   3HD2  LEU  51          3HD2      LEU  51  10.034   8.063  -1.146
  402    H    LYS  52           H        LYS  52   6.010  12.828  -0.561
  403    HA   LYS  52           HA       LYS  52   7.971  14.819  -0.271
  404   1HB   LYS  52          2HB       LYS  52   5.135  14.760  -1.188
  405   2HB   LYS  52          3HB       LYS  52   5.835  16.327  -0.813
  406   1HG   LYS  52          2HG       LYS  52   7.136  16.330  -2.644
  407   2HG   LYS  52          3HG       LYS  52   7.477  14.601  -2.534
  408   1HD   LYS  52          2HD       LYS  52   6.201  14.979  -4.525
  409   2HD   LYS  52          3HD       LYS  52   5.161  14.164  -3.357
  410   1HE   LYS  52          2HE       LYS  52   4.429  16.569  -2.715
  411   2HE   LYS  52          3HE       LYS  52   5.105  17.012  -4.282
  412   1HZ   LYS  52          HZ1       LYS  52   3.639  15.107  -5.156
  413   2HZ   LYS  52          HZ2       LYS  52   2.797  15.266  -3.688
  414   3HZ   LYS  52          HZ3       LYS  52   2.900  16.576  -4.755
  415    H    ALA  53           H        ALA  53   5.103  14.051   1.598
  416    HA   ALA  53           HA       ALA  53   5.245  16.455   3.164
  417   1HB   ALA  53          1HB       ALA  53   3.123  15.294   2.556
  418   2HB   ALA  53          2HB       ALA  53   3.560  14.017   3.688
  419   3HB   ALA  53          3HB       ALA  53   3.290  15.657   4.272
  420    H    MET  54           H        MET  54   6.114  13.069   3.668
  421    HA   MET  54           HA       MET  54   6.800  13.653   6.451
  422   1HB   MET  54          2HB       MET  54   6.454  11.091   4.910
  423   2HB   MET  54          3HB       MET  54   7.131  11.116   6.533
  424   1HG   MET  54          2HG       MET  54   4.693  12.629   6.445
  425   2HG   MET  54          3HG       MET  54   4.437  11.009   5.800
  426   1HE   MET  54          1HE       MET  54   4.994   8.966   6.805
  427   2HE   MET  54          2HE       MET  54   5.091   8.615   8.530
  428   3HE   MET  54          3HE       MET  54   3.554   9.101   7.814
  429    H    GLY  55           H        GLY  55   8.363  12.652   3.474
  430   1HA   GLY  55          1HA       GLY  55  10.700  13.422   3.252
  431   2HA   GLY  55          2HA       GLY  55  10.939  12.783   4.869
  432    H    LYS  56           H        LYS  56  12.607  11.940   2.921
  433    HA   LYS  56           HA       LYS  56  11.878   9.115   2.721
  434   1HB   LYS  56          2HB       LYS  56  12.943   9.040   0.435
  435   2HB   LYS  56          3HB       LYS  56  11.396   9.869   0.505
  436   1HG   LYS  56          2HG       LYS  56  12.375  11.967   0.243
  437   2HG   LYS  56          3HG       LYS  56  13.980  11.373   0.675
  438   1HD   LYS  56          2HD       LYS  56  14.417  10.693  -1.422
  439   2HD   LYS  56          3HD       LYS  56  12.795  10.033  -1.643
  440   1HE   LYS  56          2HE       LYS  56  11.919  12.213  -2.149
  441   2HE   LYS  56          3HE       LYS  56  13.459  12.972  -1.743
  442   1HZ   LYS  56          HZ1       LYS  56  13.816  10.971  -3.726
  443   2HZ   LYS  56          HZ2       LYS  56  12.646  12.092  -4.228
  444   3HZ   LYS  56          HZ3       LYS  56  14.195  12.623  -3.786
  445    HA   PRO  57           HA       PRO  57  15.892   8.476   4.331
  446   1HB   PRO  57          2HB       PRO  57  16.424   6.246   2.492
  447   2HB   PRO  57          3HB       PRO  57  16.239   6.240   4.248
  448   1HG   PRO  57          2HG       PRO  57  14.356   5.212   2.620
  449   2HG   PRO  57          3HG       PRO  57  13.947   6.021   4.144
  450   1HD   PRO  57          2HD       PRO  57  13.784   7.060   1.342
  451   2HD   PRO  57          3HD       PRO  57  12.656   7.287   2.696
  452    H    ASP  58           H        ASP  58  17.825   9.351   4.077
  453    HA   ASP  58           HA       ASP  58  18.798   9.962   1.375
  454   1HB   ASP  58          2HB       ASP  58  18.592  11.724   3.267
  455   2HB   ASP  58          3HB       ASP  58  20.018  10.951   3.946
  456    H    VAL  59           H        VAL  59  19.535   7.858   0.879
  457    HA   VAL  59           HA       VAL  59  22.035   7.140   2.243
  458    HB   VAL  59           HB       VAL  59  21.549   4.800   2.224
  459   1HG1  VAL  59          1HG1      VAL  59  20.474   6.346   3.998
  460   2HG1  VAL  59          2HG1      VAL  59  18.957   5.921   3.207
  461   3HG1  VAL  59          3HG1      VAL  59  19.969   4.660   3.910
  462   1HG2  VAL  59          1HG2      VAL  59  18.979   5.493   0.808
  463   2HG2  VAL  59          2HG2      VAL  59  20.356   4.623   0.130
  464   3HG2  VAL  59          3HG2      VAL  59  19.400   3.894   1.422
  465    H    LYS  60           H        LYS  60  23.473   5.804   0.919
  466    HA   LYS  60           HA       LYS  60  23.847   6.962  -1.583
  467   1HB   LYS  60          2HB       LYS  60  25.124   4.860   0.006
  468   2HB   LYS  60          3HB       LYS  60  25.333   4.665  -1.728
  469   1HG   LYS  60          2HG       LYS  60  26.995   6.115  -1.632
  470   2HG   LYS  60          3HG       LYS  60  25.826   7.367  -1.207
  471   1HD   LYS  60          2HD       LYS  60  27.156   7.548   0.619
  472   2HD   LYS  60          3HD       LYS  60  26.129   6.234   1.194
  473   1HE   LYS  60          2HE       LYS  60  27.849   4.822   1.266
  474   2HE   LYS  60          3HE       LYS  60  28.317   5.221  -0.387
  475   1HZ   LYS  60          HZ1       LYS  60  29.049   6.781   2.036
  476   2HZ   LYS  60          HZ2       LYS  60  30.073   5.722   1.199
  477   3HZ   LYS  60          HZ3       LYS  60  29.520   7.139   0.442
  478    H    ASN  61           H        ASN  61  22.478   3.801  -0.757
  479    HA   ASN  61           HA       ASN  61  21.780   3.471  -3.599
  480   1HB   ASN  61          2HB       ASN  61  21.770   1.093  -1.812
  481   2HB   ASN  61          3HB       ASN  61  22.208   1.221  -3.510
  482   1HD2  ASN  61          1HD2      ASN  61  23.415   0.360  -0.697
  483   2HD2  ASN  61          2HD2      ASN  61  25.061   0.856  -0.873
  484    H    TYR  62           H        TYR  62  19.823   4.648  -3.331
  485    HA   TYR  62           HA       TYR  62  17.748   3.136  -1.888
  486   1HB   TYR  62          HB2       TYR  62  18.039   5.111  -0.621
  487   2HB   TYR  62          HB3       TYR  62  18.233   6.107  -2.057
  488    HD1  TYR  62           HD1      TYR  62  15.573   3.651  -1.164
  489    HD2  TYR  62           HD2      TYR  62  16.564   7.705  -1.971
  490    HE1  TYR  62           HE1      TYR  62  13.193   4.238  -1.087
  491    HE2  TYR  62           HE2      TYR  62  14.181   8.312  -1.887
  492    HH   TYR  62           HH       TYR  62  11.775   6.226  -0.683
  493    H    LYS  63           H        LYS  63  16.105   2.468  -3.127
  494    HA   LYS  63           HA       LYS  63  15.588   3.884  -5.656
  495   1HB   LYS  63          2HB       LYS  63  15.464   0.890  -5.229
  496   2HB   LYS  63          3HB       LYS  63  15.052   1.739  -6.709
  497   1HG   LYS  63          2HG       LYS  63  17.453   2.603  -6.633
  498   2HG   LYS  63          3HG       LYS  63  17.737   1.280  -5.501
  499   1HD   LYS  63          2HD       LYS  63  16.264   0.235  -7.674
  500   2HD   LYS  63          3HD       LYS  63  17.563   1.216  -8.354
  501   1HE   LYS  63          2HE       LYS  63  18.382  -0.513  -6.135
  502   2HE   LYS  63          3HE       LYS  63  17.812  -1.378  -7.559
  503   1HZ   LYS  63          HZ1       LYS  63  19.381   0.047  -8.867
  504   2HZ   LYS  63          HZ2       LYS  63  20.035   0.577  -7.398
  505   3HZ   LYS  63          HZ3       LYS  63  20.126  -1.063  -7.824
  506    H    HIS  64           H        HIS  64  13.518   4.559  -5.841
  507    HA   HIS  64           HA       HIS  64  11.584   3.569  -3.888
  508   1HB   HIS  64          2HB       HIS  64  12.100   6.090  -4.468
  509   2HB   HIS  64          3HB       HIS  64  10.981   5.796  -5.795
  510    HD1  HIS  64           HD1      HIS  64   9.105   7.275  -4.853
  511    HD2  HIS  64           HD2      HIS  64  10.343   4.264  -2.279
  512    HE1  HIS  64           HE1      HIS  64   7.414   7.233  -2.991
  513    HE2  HIS  64           HE2      HIS  64   8.405   5.641  -1.300
  514    H    MET  65           H        MET  65  10.134   2.062  -4.450
  515    HA   MET  65           HA       MET  65   9.358   1.906  -7.295
  516   1HB   MET  65          2HB       MET  65  10.423  -0.125  -5.563
  517   2HB   MET  65          3HB       MET  65   8.788  -0.565  -6.040
  518   1HG   MET  65          2HG       MET  65   9.390  -1.006  -8.141
  519   2HG   MET  65          3HG       MET  65  10.431   0.412  -8.245
  520   1HE   MET  65          1HE       MET  65  12.565   0.271  -6.226
  521   2HE   MET  65          2HE       MET  65  13.809  -0.798  -6.875
  522   3HE   MET  65          3HE       MET  65  13.016   0.373  -7.929
  523    H    SER  66           H        SER  66   7.437   2.906  -7.381
  524    HA   SER  66           HA       SER  66   5.431   2.216  -5.339
  525   1HB   SER  66          2HB       SER  66   5.348   4.915  -6.552
  526   2HB   SER  66          3HB       SER  66   5.053   4.412  -4.886
  527    HG   SER  66           HG       SER  66   7.432   4.007  -4.880
  528    H    ARG  67           H        ARG  67   3.248   3.287  -6.049
  529    HA   ARG  67           HA       ARG  67   1.394   3.200  -7.318
  530   1HB   ARG  67          2HB       ARG  67   3.175   4.673  -8.703
  531   2HB   ARG  67          3HB       ARG  67   2.839   3.414  -9.886
  532   1HG   ARG  67          2HG       ARG  67   0.625   4.017 -10.103
  533   2HG   ARG  67          3HG       ARG  67   0.573   4.794  -8.519
  534   1HD   ARG  67          2HD       ARG  67   0.581   6.618  -9.923
  535   2HD   ARG  67          3HD       ARG  67   2.300   6.431  -9.582
  536    HE   ARG  67           HE       ARG  67   1.061   5.331 -12.027
  537   1HH1  ARG  67          1HH1      ARG  67   3.505   7.274 -10.423
  538   2HH1  ARG  67          2HH1      ARG  67   4.451   7.488 -11.869
  539   1HH2  ARG  67          1HH2      ARG  67   2.299   5.651 -13.929
  540   2HH2  ARG  67          2HH2      ARG  67   3.776   6.566 -13.841
  541    H    GLY  68           H        GLY  68   3.044   2.012 -10.074
  542   1HA   GLY  68          1HA       GLY  68   1.185   0.223 -10.798
  543   2HA   GLY  68          2HA       GLY  68   2.832   0.150 -11.376
  544    H    LYS  69           H        LYS  69   2.408  -0.480  -8.025
  545    HA   LYS  69           HA       LYS  69   2.393  -2.384  -6.757
  546   1HB   LYS  69          2HB       LYS  69   2.272  -3.981  -9.330
  547   2HB   LYS  69          3HB       LYS  69   2.105  -4.620  -7.702
  548   1HG   LYS  69          2HG       LYS  69  -0.019  -3.758  -7.439
  549   2HG   LYS  69          3HG       LYS  69   0.218  -2.521  -8.677
  550   1HD   LYS  69          2HD       LYS  69   0.532  -5.133  -9.827
  551   2HD   LYS  69          3HD       LYS  69  -1.007  -5.037  -8.969
  552   1HE   LYS  69          2HE       LYS  69  -1.573  -4.279 -11.080
  553   2HE   LYS  69          3HE       LYS  69  -1.271  -2.776 -10.211
  554   1HZ   LYS  69          HZ1       LYS  69   1.015  -2.831 -11.150
  555   2HZ   LYS  69          HZ2       LYS  69   0.566  -4.154 -12.104
  556   3HZ   LYS  69          HZ3       LYS  69  -0.202  -2.651 -12.318
  557    H    LEU  70           H        LEU  70   4.470  -0.972  -8.345
  558    HA   LEU  70           HA       LEU  70   6.722  -0.792  -8.358
  559   1HB   LEU  70          2HB       LEU  70   7.889  -1.718  -6.686
  560   2HB   LEU  70          3HB       LEU  70   6.295  -2.171  -6.124
  561    HG   LEU  70           HG       LEU  70   7.057  -4.313  -7.731
  562   1HD1  LEU  70          1HD1      LEU  70   9.397  -2.942  -7.130
  563   2HD1  LEU  70          2HD1      LEU  70   9.334  -4.255  -5.955
  564   3HD1  LEU  70          3HD1      LEU  70   9.259  -4.612  -7.680
  565   1HD2  LEU  70          1HD2      LEU  70   5.907  -4.153  -5.438
  566   2HD2  LEU  70          2HD2      LEU  70   6.935  -5.551  -5.758
  567   3HD2  LEU  70          3HD2      LEU  70   7.538  -4.218  -4.772
  568    H    GLU  71           H        GLU  71   5.259  -3.737  -9.402
  569    HA   GLU  71           HA       GLU  71   7.363  -5.050 -10.556
  570   1HB   GLU  71          2HB       GLU  71   5.552  -5.843 -12.302
  571   2HB   GLU  71          3HB       GLU  71   5.518  -6.364 -10.625
  572   1HG   GLU  71          2HG       GLU  71   3.436  -5.644 -10.509
  573   2HG   GLU  71          3HG       GLU  71   4.039  -3.999 -10.703
  574    HA   PRO  72           HA       PRO  72   6.957  -2.688 -14.729
  575   1HB   PRO  72          2HB       PRO  72   5.934  -0.029 -14.070
  576   2HB   PRO  72          3HB       PRO  72   5.371  -1.164 -15.300
  577   1HG   PRO  72          2HG       PRO  72   3.929  -0.578 -13.092
  578   2HG   PRO  72          3HG       PRO  72   3.876  -2.170 -13.872
  579   1HD   PRO  72          2HD       PRO  72   5.391  -1.302 -11.435
  580   2HD   PRO  72          3HD       PRO  72   4.479  -2.801 -11.719
  581    H    LEU  73           H        LEU  73   7.741  -1.278 -11.701
  582    HA   LEU  73           HA       LEU  73   9.765   0.488 -12.843
  583   1HB   LEU  73          2HB       LEU  73   8.283   0.282 -10.297
  584   2HB   LEU  73          3HB       LEU  73   9.940   0.822 -10.149
  585    HG   LEU  73           HG       LEU  73   7.656   2.348 -10.805
  586   1HD1  LEU  73          1HD1      LEU  73  10.587   3.032 -10.803
  587   2HD1  LEU  73          2HD1      LEU  73   9.259   4.194 -10.741
  588   3HD1  LEU  73          3HD1      LEU  73   9.500   3.062  -9.412
  589   1HD2  LEU  73          1HD2      LEU  73   8.619   1.469 -13.185
  590   2HD2  LEU  73          2HD2      LEU  73   7.804   3.016 -12.947
  591   3HD2  LEU  73          3HD2      LEU  73   9.566   2.938 -12.959
  592    H    LEU  74           H        LEU  74   9.428  -2.534 -11.279
  593    HA   LEU  74           HA       LEU  74  11.783  -2.882  -9.886
  594   1HB   LEU  74          2HB       LEU  74   9.732  -4.386 -10.109
  595   2HB   LEU  74          3HB       LEU  74  10.454  -4.995 -11.581
  596    HG   LEU  74           HG       LEU  74  12.308  -5.933 -10.352
  597   1HD1  LEU  74          1HD1      LEU  74  11.194  -4.292  -8.150
  598   2HD1  LEU  74          2HD1      LEU  74  11.919  -5.846  -7.737
  599   3HD1  LEU  74          3HD1      LEU  74  12.870  -4.626  -8.582
  600   1HD2  LEU  74          1HD2      LEU  74   9.523  -6.540  -9.477
  601   2HD2  LEU  74          2HD2      LEU  74  10.645  -7.513 -10.428
  602   3HD2  LEU  74          3HD2      LEU  74  10.866  -7.361  -8.684
  603    H    ALA  75           H        ALA  75  11.150  -3.890 -13.217
  604    HA   ALA  75           HA       ALA  75  13.783  -4.711 -13.733
  605   1HB   ALA  75          1HB       ALA  75  11.290  -4.613 -15.151
  606   2HB   ALA  75          2HB       ALA  75  12.618  -4.141 -16.212
  607   3HB   ALA  75          3HB       ALA  75  12.666  -5.693 -15.373
  608    H    LYS  76           H        LYS  76  12.396  -1.570 -13.798
  609    HA   LYS  76           HA       LYS  76  14.323  -0.469 -15.646
  610   1HB   LYS  76          2HB       LYS  76  12.628   1.231 -13.874
  611   2HB   LYS  76          3HB       LYS  76  13.163   1.526 -15.523
  612   1HG   LYS  76          2HG       LYS  76  11.396  -0.789 -15.143
  613   2HG   LYS  76          3HG       LYS  76  10.681   0.791 -14.854
  614   1HD   LYS  76          2HD       LYS  76  11.884   1.371 -17.131
  615   2HD   LYS  76          3HD       LYS  76  11.756  -0.373 -17.370
  616   1HE   LYS  76          2HE       LYS  76   9.482  -0.325 -17.511
  617   2HE   LYS  76          3HE       LYS  76   9.336   1.064 -16.437
  618   1HZ   LYS  76          HZ1       LYS  76  10.651   1.971 -18.695
  619   2HZ   LYS  76          HZ2       LYS  76   9.386   0.998 -19.264
  620   3HZ   LYS  76          HZ3       LYS  76   9.056   2.303 -18.232
  621    H    SER  77           H        SER  77  14.307  -1.186 -12.351
  622    HA   SER  77           HA       SER  77  16.129   1.011 -11.714
  623   1HB   SER  77          2HB       SER  77  14.694  -0.896  -9.856
  624   2HB   SER  77          3HB       SER  77  15.604   0.539  -9.384
  625    HG   SER  77           HG       SER  77  13.154   0.374 -10.790
  626    H    GLY  78           H        GLY  78  17.152  -1.180 -13.241
  627   1HA   GLY  78          1HA       GLY  78  18.894  -2.697 -13.262
  628   2HA   GLY  78          2HA       GLY  78  19.620  -1.466 -12.244
  629    H    LEU  79           H        LEU  79  17.184  -4.044 -11.796
  630    HA   LEU  79           HA       LEU  79  18.587  -4.747  -9.313
  631   1HB   LEU  79          2HB       LEU  79  15.756  -4.610 -10.086
  632   2HB   LEU  79          3HB       LEU  79  16.190  -6.050  -9.185
  633    HG   LEU  79           HG       LEU  79  16.288  -3.186  -8.304
  634   1HD1  LEU  79          1HD1      LEU  79  14.499  -5.263  -7.921
  635   2HD1  LEU  79          2HD1      LEU  79  15.424  -5.207  -6.421
  636   3HD1  LEU  79          3HD1      LEU  79  14.586  -3.765  -6.994
  637   1HD2  LEU  79          1HD2      LEU  79  18.105  -5.360  -7.514
  638   2HD2  LEU  79          2HD2      LEU  79  18.292  -3.612  -7.374
  639   3HD2  LEU  79          3HD2      LEU  79  17.337  -4.495  -6.184
  640    H    ASP  80           H        ASP  80  19.205  -6.804  -8.914
  641    HA   ASP  80           HA       ASP  80  18.571  -8.892 -10.859
  642   1HB   ASP  80          2HB       ASP  80  21.146  -7.651 -10.591
  643   2HB   ASP  80          3HB       ASP  80  21.263  -9.312 -10.021
  644    HA   PRO  81           HA       PRO  81  17.767 -11.243  -7.267
  645   1HB   PRO  81          2HB       PRO  81  18.987 -13.633  -8.491
  646   2HB   PRO  81          3HB       PRO  81  17.305 -13.341  -8.020
  647   1HG   PRO  81          2HG       PRO  81  18.035 -13.412 -10.593
  648   2HG   PRO  81          3HG       PRO  81  16.794 -12.284 -10.013
  649   1HD   PRO  81          2HD       PRO  81  19.683 -11.766 -10.636
  650   2HD   PRO  81          3HD       PRO  81  18.256 -10.783 -11.026
  651    H    GLU  82           H        GLU  82  20.932 -10.579  -8.021
  652    HA   GLU  82           HA       GLU  82  21.933 -12.100  -5.715
  653   1HB   GLU  82          2HB       GLU  82  24.202 -11.526  -6.638
  654   2HB   GLU  82          3HB       GLU  82  23.244 -12.599  -7.647
  655   1HG   GLU  82          2HG       GLU  82  23.641 -11.232  -9.339
  656   2HG   GLU  82          3HG       GLU  82  22.614 -10.041  -8.543
  657    H    LYS  83           H        LYS  83  20.328  -9.613  -5.743
  658    HA   LYS  83           HA       LYS  83  22.276  -7.716  -4.636
  659   1HB   LYS  83          2HB       LYS  83  19.605  -7.403  -5.939
  660   2HB   LYS  83          3HB       LYS  83  20.137  -6.183  -4.791
  661   1HG   LYS  83          2HG       LYS  83  21.587  -7.013  -7.298
  662   2HG   LYS  83          3HG       LYS  83  20.667  -5.526  -7.062
  663   1HD   LYS  83          2HD       LYS  83  22.332  -4.533  -5.924
  664   2HD   LYS  83          3HD       LYS  83  22.736  -6.008  -5.043
  665   1HE   LYS  83          2HE       LYS  83  23.370  -6.050  -7.911
  666   2HE   LYS  83          3HE       LYS  83  24.290  -4.884  -6.961
  667   1HZ   LYS  83          HZ1       LYS  83  24.133  -7.425  -5.672
  668   2HZ   LYS  83          HZ2       LYS  83  24.822  -7.550  -7.213
  669   3HZ   LYS  83          HZ3       LYS  83  25.494  -6.497  -6.063
  670    HA   PRO  84           HA       PRO  84  20.400  -8.732  -0.652
  671   1HB   PRO  84          2HB       PRO  84  22.436  -7.067   0.524
  672   2HB   PRO  84          3HB       PRO  84  22.296  -8.824   0.595
  673   1HG   PRO  84          2HG       PRO  84  24.291  -7.492  -0.739
  674   2HG   PRO  84          3HG       PRO  84  23.748  -9.131  -1.140
  675   1HD   PRO  84          2HD       PRO  84  23.059  -6.528  -2.449
  676   2HD   PRO  84          3HD       PRO  84  23.387  -8.113  -3.188
  677    H    VAL  85           H        VAL  85  18.549  -7.533  -0.692
  678    HA   VAL  85           HA       VAL  85  18.847  -4.619  -0.430
  679    HB   VAL  85           HB       VAL  85  16.624  -4.472  -1.584
  680   1HG1  VAL  85          1HG1      VAL  85  18.963  -4.272  -2.647
  681   2HG1  VAL  85          2HG1      VAL  85  18.604  -5.846  -3.359
  682   3HG1  VAL  85          3HG1      VAL  85  17.568  -4.462  -3.709
  683   1HG2  VAL  85          1HG2      VAL  85  16.047  -6.892  -1.120
  684   2HG2  VAL  85          2HG2      VAL  85  15.719  -6.315  -2.754
  685   3HG2  VAL  85          3HG2      VAL  85  17.143  -7.309  -2.438
  686    H    VAL  86           H        VAL  86  17.231  -3.475   0.674
  687    HA   VAL  86           HA       VAL  86  15.606  -5.080   2.520
  688    HB   VAL  86           HB       VAL  86  17.249  -4.199   3.960
  689   1HG1  VAL  86          1HG1      VAL  86  17.045  -1.655   2.375
  690   2HG1  VAL  86          2HG1      VAL  86  17.868  -1.750   3.932
  691   3HG1  VAL  86          3HG1      VAL  86  18.441  -2.715   2.571
  692   1HG2  VAL  86          1HG2      VAL  86  14.962  -2.231   4.011
  693   2HG2  VAL  86          2HG2      VAL  86  15.019  -3.795   4.828
  694   3HG2  VAL  86          3HG2      VAL  86  16.111  -2.499   5.324
  695    H    VAL  87           H        VAL  87  13.524  -4.265   2.897
  696    HA   VAL  87           HA       VAL  87  12.694  -2.139   1.037
  697    HB   VAL  87           HB       VAL  87  10.370  -3.155   1.321
  698   1HG1  VAL  87          1HG1      VAL  87  12.637  -4.228  -0.221
  699   2HG1  VAL  87          2HG1      VAL  87  11.220  -5.276  -0.120
  700   3HG1  VAL  87          3HG1      VAL  87  11.065  -3.640  -0.767
  701   1HG2  VAL  87          1HG2      VAL  87  11.517  -4.654   3.277
  702   2HG2  VAL  87          2HG2      VAL  87  10.011  -5.060   2.453
  703   3HG2  VAL  87          3HG2      VAL  87  11.531  -5.781   1.920
  704    H    PHE  88           H        PHE  88  11.847  -0.321   1.891
  705    HA   PHE  88           HA       PHE  88  11.548  -0.295   4.805
  706   1HB   PHE  88          2HB       PHE  88  13.195   1.251   3.549
  707   2HB   PHE  88          3HB       PHE  88  11.760   2.173   3.106
  708    HD1  PHE  88           HD1      PHE  88  12.812   0.479   6.278
  709    HD2  PHE  88           HD2      PHE  88  11.683   4.107   4.346
  710    HE1  PHE  88           HE1      PHE  88  12.829   1.636   8.439
  711    HE2  PHE  88           HE2      PHE  88  11.696   5.260   6.508
  712    HZ   PHE  88           HZ       PHE  88  12.271   4.025   8.560
  713    H    CYS  89           H        CYS  89   9.749   0.204   5.795
  714    HA   CYS  89           HA       CYS  89   7.601   1.746   5.011
  715   1HB   CYS  89          2HB       CYS  89   7.207   0.190   3.183
  716   2HB   CYS  89          3HB       CYS  89   7.307  -1.183   4.273
  717    H    LYS  90           H        LYS  90   5.549   0.946   6.372
  718    HA   LYS  90           HA       LYS  90   6.280   0.858   9.057
  719   1HB   LYS  90          2HB       LYS  90   4.064   1.589   8.234
  720   2HB   LYS  90          3HB       LYS  90   3.680  -0.075   7.819
  721   1HG   LYS  90          2HG       LYS  90   2.774  -0.242   9.836
  722   2HG   LYS  90          3HG       LYS  90   4.418  -0.225  10.474
  723   1HD   LYS  90          2HD       LYS  90   3.408   2.442   9.893
  724   2HD   LYS  90          3HD       LYS  90   2.421   1.580  11.074
  725   1HE   LYS  90          2HE       LYS  90   4.178   1.367  12.574
  726   2HE   LYS  90          3HE       LYS  90   5.400   1.617  11.329
  727   1HZ   LYS  90          HZ1       LYS  90   3.888   3.916  11.375
  728   2HZ   LYS  90          HZ2       LYS  90   4.137   3.523  13.002
  729   3HZ   LYS  90          HZ3       LYS  90   5.464   3.726  11.964
  730    H    THR  91           H        THR  91   4.807  -1.779   7.179
  731    HA   THR  91           HA       THR  91   6.664  -3.708   8.098
  732    HB   THR  91           HB       THR  91   4.280  -4.923   9.008
  733    HG1  THR  91           HG1      THR  91   4.752  -2.446  10.341
  734   1HG2  THR  91          1HG2      THR  91   6.734  -5.197   9.707
  735   2HG2  THR  91          2HG2      THR  91   6.437  -3.845  10.799
  736   3HG2  THR  91          3HG2      THR  91   5.506  -5.332  10.965
  737    H    ALA  92           H        ALA  92   3.416  -4.825   7.796
  738    HA   ALA  92           HA       ALA  92   4.038  -5.878   5.137
  739   1HB   ALA  92          1HB       ALA  92   2.003  -6.630   7.213
  740   2HB   ALA  92          2HB       ALA  92   1.934  -7.250   5.563
  741   3HB   ALA  92          3HB       ALA  92   3.337  -7.593   6.578
  742    H    ALA  93           H        ALA  93   3.266  -3.072   5.629
  743    HA   ALA  93           HA       ALA  93   0.591  -2.738   4.667
  744   1HB   ALA  93          1HB       ALA  93   2.111  -1.104   6.056
  745   2HB   ALA  93          2HB       ALA  93   2.613  -0.559   4.456
  746   3HB   ALA  93          3HB       ALA  93   0.913  -0.481   4.920
  747    H    ARG  94           H        ARG  94   3.806  -2.159   3.240
  748    HA   ARG  94           HA       ARG  94   2.671  -2.789   0.610
  749   1HB   ARG  94          2HB       ARG  94   4.354  -0.365   1.265
  750   2HB   ARG  94          3HB       ARG  94   4.067  -0.934  -0.372
  751   1HG   ARG  94          2HG       ARG  94   1.683  -0.471   1.310
  752   2HG   ARG  94          3HG       ARG  94   2.592   0.951   0.798
  753   1HD   ARG  94          2HD       ARG  94   2.360  -0.708  -1.464
  754   2HD   ARG  94          3HD       ARG  94   0.770  -0.679  -0.703
  755    HE   ARG  94           HE       ARG  94   1.841   1.940  -0.880
  756   1HH1  ARG  94          1HH1      ARG  94   0.373  -0.569  -2.831
  757   2HH1  ARG  94          2HH1      ARG  94  -0.270   0.542  -3.996
  758   1HH2  ARG  94          1HH2      ARG  94   0.984   3.417  -2.417
  759   2HH2  ARG  94          2HH2      ARG  94   0.071   2.799  -3.760
  760    H    ALA  95           H        ALA  95   5.630  -2.178   2.460
  761    HA   ALA  95           HA       ALA  95   7.517  -3.047   0.679
  762   1HB   ALA  95          1HB       ALA  95   7.472  -2.302   3.378
  763   2HB   ALA  95          2HB       ALA  95   8.310  -3.854   3.313
  764   3HB   ALA  95          3HB       ALA  95   8.882  -2.501   2.336
  765    H    ALA  96           H        ALA  96   5.580  -5.047   2.832
  766    HA   ALA  96           HA       ALA  96   6.997  -7.422   2.693
  767   1HB   ALA  96          1HB       ALA  96   4.708  -6.633   3.906
  768   2HB   ALA  96          2HB       ALA  96   4.078  -7.722   2.670
  769   3HB   ALA  96          3HB       ALA  96   5.274  -8.300   3.829
  770    H    LEU  97           H        LEU  97   4.672  -6.064   0.412
  771    HA   LEU  97           HA       LEU  97   4.440  -8.410  -1.178
  772   1HB   LEU  97          2HB       LEU  97   3.536  -5.626  -1.351
  773   2HB   LEU  97          3HB       LEU  97   3.883  -6.350  -2.914
  774    HG   LEU  97           HG       LEU  97   1.498  -6.529  -2.201
  775   1HD1  LEU  97          1HD1      LEU  97   2.612  -8.080  -3.817
  776   2HD1  LEU  97          2HD1      LEU  97   2.839  -9.210  -2.483
  777   3HD1  LEU  97          3HD1      LEU  97   1.210  -8.756  -2.988
  778   1HD2  LEU  97          1HD2      LEU  97   2.236  -7.004   0.244
  779   2HD2  LEU  97          2HD2      LEU  97   0.804  -7.805  -0.405
  780   3HD2  LEU  97          3HD2      LEU  97   2.332  -8.680  -0.299
  781    H    ALA  98           H        ALA  98   6.631  -5.663  -1.233
  782    HA   ALA  98           HA       ALA  98   7.805  -6.362  -3.747
  783   1HB   ALA  98          1HB       ALA  98   8.769  -4.531  -1.550
  784   2HB   ALA  98          2HB       ALA  98   9.528  -4.695  -3.134
  785   3HB   ALA  98          3HB       ALA  98   7.884  -4.068  -3.006
  786    H    GLY  99           H        GLY  99   8.903  -6.557  -0.378
  787   1HA   GLY  99          1HA       GLY  99  11.344  -7.826  -0.963
  788   2HA   GLY  99          2HA       GLY  99  10.574  -7.778   0.612
  789    H    LYS 100           H        LYS 100   8.385  -9.276   0.410
  790    HA   LYS 100           HA       LYS 100   9.482 -11.821   0.610
  791   1HB   LYS 100          2HB       LYS 100   7.459 -12.490   1.440
  792   2HB   LYS 100          3HB       LYS 100   7.252 -10.750   1.574
  793   1HG   LYS 100          2HG       LYS 100   5.334 -11.059   0.500
  794   2HG   LYS 100          3HG       LYS 100   6.310 -11.280  -0.953
  795   1HD   LYS 100          2HD       LYS 100   6.402 -13.724  -0.410
  796   2HD   LYS 100          3HD       LYS 100   5.243 -13.419   0.886
  797   1HE   LYS 100          2HE       LYS 100   3.861 -14.064  -0.847
  798   2HE   LYS 100          3HE       LYS 100   3.834 -12.307  -0.991
  799   1HZ   LYS 100          HZ1       LYS 100   5.666 -14.046  -2.552
  800   2HZ   LYS 100          HZ2       LYS 100   4.150 -13.546  -3.118
  801   3HZ   LYS 100          HZ3       LYS 100   5.349 -12.395  -2.794
  802    H    THR 101           H        THR 101   7.737 -10.345  -2.056
  803    HA   THR 101           HA       THR 101   7.484 -12.742  -3.563
  804    HB   THR 101           HB       THR 101   7.393  -9.913  -4.617
  805    HG1  THR 101           HG1      THR 101   5.644  -9.691  -3.459
  806   1HG2  THR 101          1HG2      THR 101   7.297 -12.158  -6.068
  807   2HG2  THR 101          2HG2      THR 101   5.603 -12.073  -5.582
  808   3HG2  THR 101          3HG2      THR 101   6.338 -10.729  -6.460
  809    H    LEU 102           H        LEU 102   9.858 -10.105  -3.537
  810    HA   LEU 102           HA       LEU 102  11.256 -10.905  -5.850
  811   1HB   LEU 102          2HB       LEU 102  11.840  -9.152  -3.522
  812   2HB   LEU 102          3HB       LEU 102  13.191  -9.668  -4.512
  813    HG   LEU 102           HG       LEU 102  10.783  -8.099  -5.431
  814   1HD1  LEU 102          1HD1      LEU 102  13.697  -7.406  -5.115
  815   2HD1  LEU 102          2HD1      LEU 102  12.521  -6.395  -5.957
  816   3HD1  LEU 102          3HD1      LEU 102  12.330  -6.723  -4.235
  817   1HD2  LEU 102          1HD2      LEU 102  12.282  -9.893  -6.936
  818   2HD2  LEU 102          2HD2      LEU 102  11.237  -8.611  -7.548
  819   3HD2  LEU 102          3HD2      LEU 102  12.960  -8.311  -7.321
  820    H    ARG 103           H        ARG 103  11.859 -11.604  -2.407
  821    HA   ARG 103           HA       ARG 103  14.181 -13.151  -2.832
  822   1HB   ARG 103          2HB       ARG 103  13.933 -13.899  -0.559
  823   2HB   ARG 103          3HB       ARG 103  13.503 -12.196  -0.636
  824   1HG   ARG 103          2HG       ARG 103  11.184 -12.693  -0.481
  825   2HG   ARG 103          3HG       ARG 103  11.481 -14.420  -0.685
  826   1HD   ARG 103          2HD       ARG 103  12.414 -12.735   1.635
  827   2HD   ARG 103          3HD       ARG 103  11.023 -13.818   1.653
  828    HE   ARG 103           HE       ARG 103  13.830 -14.690   1.348
  829   1HH1  ARG 103          1HH1      ARG 103  10.526 -15.253   2.403
  830   2HH1  ARG 103          2HH1      ARG 103  10.886 -16.792   3.117
  831   1HH2  ARG 103          1HH2      ARG 103  14.298 -16.708   2.294
  832   2HH2  ARG 103          2HH2      ARG 103  13.038 -17.623   3.055
  833    H    GLU 104           H        GLU 104  10.827 -13.849  -3.110
  834    HA   GLU 104           HA       GLU 104  10.933 -16.682  -2.992
  835   1HB   GLU 104          2HB       GLU 104   8.956 -14.618  -3.720
  836   2HB   GLU 104          3HB       GLU 104   8.721 -16.191  -4.468
  837   1HG   GLU 104          2HG       GLU 104   9.016 -17.076  -2.036
  838   2HG   GLU 104          3HG       GLU 104   8.599 -15.420  -1.593
  839    H    TYR 105           H        TYR 105  12.227 -14.630  -5.264
  840    HA   TYR 105           HA       TYR 105  11.823 -16.595  -7.418
  841   1HB   TYR 105          HB2       TYR 105  12.547 -13.668  -7.649
  842   2HB   TYR 105          HB3       TYR 105  12.402 -14.788  -9.002
  843    HD1  TYR 105           HD1      TYR 105   9.996 -16.312  -7.948
  844    HD2  TYR 105           HD2      TYR 105  10.805 -12.152  -8.260
  845    HE1  TYR 105           HE1      TYR 105   7.585 -15.865  -8.058
  846    HE2  TYR 105           HE2      TYR 105   8.393 -11.691  -8.376
  847    HH   TYR 105           HH       TYR 105   6.155 -13.725  -9.156
  848    H    GLY 106           H        GLY 106  14.028 -15.575  -5.162
  849   1HA   GLY 106          1HA       GLY 106  16.014 -17.043  -5.131
  850   2HA   GLY 106          2HA       GLY 106  16.237 -16.626  -6.822
  851    H    PHE 107           H        PHE 107  15.329 -14.301  -4.369
  852    HA   PHE 107           HA       PHE 107  17.708 -12.759  -4.934
  853   1HB   PHE 107          2HB       PHE 107  15.118 -12.281  -3.626
  854   2HB   PHE 107          3HB       PHE 107  16.475 -11.471  -2.852
  855    HD1  PHE 107           HD1      PHE 107  15.134 -12.058  -6.282
  856    HD2  PHE 107           HD2      PHE 107  16.985  -9.359  -3.565
  857    HE1  PHE 107           HE1      PHE 107  15.033 -10.280  -7.983
  858    HE2  PHE 107           HE2      PHE 107  16.885  -7.575  -5.258
  859    HZ   PHE 107           HZ       PHE 107  15.907  -8.036  -7.470
  860    H    LYS 108           H        LYS 108  19.375 -12.373  -3.530
  861    HA   LYS 108           HA       LYS 108  20.108 -14.460  -1.820
  862   1HB   LYS 108          2HB       LYS 108  21.398 -12.351  -3.005
  863   2HB   LYS 108          3HB       LYS 108  21.455 -11.901  -1.306
  864   1HG   LYS 108          2HG       LYS 108  22.265 -14.388  -1.016
  865   2HG   LYS 108          3HG       LYS 108  22.726 -14.193  -2.708
  866   1HD   LYS 108          2HD       LYS 108  23.717 -11.909  -1.724
  867   2HD   LYS 108          3HD       LYS 108  23.824 -12.912  -0.277
  868   1HE   LYS 108          2HE       LYS 108  25.226 -14.481  -1.348
  869   2HE   LYS 108          3HE       LYS 108  24.871 -13.821  -2.943
  870   1HZ   LYS 108          HZ1       LYS 108  26.264 -12.259  -0.845
  871   2HZ   LYS 108          HZ2       LYS 108  27.091 -13.221  -1.965
  872   3HZ   LYS 108          HZ3       LYS 108  26.152 -11.915  -2.502
  873    H    THR 109           H        THR 109  20.232 -11.195  -0.524
  874    HA   THR 109           HA       THR 109  18.806 -12.188   1.847
  875    HB   THR 109           HB       THR 109  20.500  -9.838   2.245
  876    HG1  THR 109           HG1      THR 109  21.796 -12.319   1.668
  877   1HG2  THR 109          1HG2      THR 109  19.768 -12.349   3.595
  878   2HG2  THR 109          2HG2      THR 109  21.402 -11.770   3.922
  879   3HG2  THR 109          3HG2      THR 109  20.014 -10.734   4.257
  880    H    ILE 110           H        ILE 110  16.915 -11.269   2.229
  881    HA   ILE 110           HA       ILE 110  16.498  -8.499   1.349
  882    HB   ILE 110           HB       ILE 110  15.313 -10.539   0.108
  883   1HG1  ILE 110          2HG1      ILE 110  13.447  -8.295   0.526
  884   2HG1  ILE 110          3HG1      ILE 110  15.080  -7.851   0.035
  885   1HG2  ILE 110          1HG2      ILE 110  14.149 -10.886   2.528
  886   2HG2  ILE 110          2HG2      ILE 110  12.961  -9.860   1.722
  887   3HG2  ILE 110          3HG2      ILE 110  13.441 -11.394   0.993
  888   1HD1  ILE 110          1HD1      ILE 110  13.396  -9.874  -1.424
  889   2HD1  ILE 110          2HD1      ILE 110  13.453  -8.157  -1.836
  890   3HD1  ILE 110          3HD1      ILE 110  14.912  -9.143  -1.955
  891    H    TYR 111           H        TYR 111  15.801  -7.130   2.840
  892    HA   TYR 111           HA       TYR 111  14.909  -8.227   5.434
  893   1HB   TYR 111          HB2       TYR 111  16.168  -5.510   5.173
  894   2HB   TYR 111          HB3       TYR 111  16.088  -6.560   6.578
  895    HD1  TYR 111           HD1      TYR 111  17.771  -6.119   3.289
  896    HD2  TYR 111           HD2      TYR 111  17.873  -7.987   7.115
  897    HE1  TYR 111           HE1      TYR 111  20.077  -6.854   2.864
  898    HE2  TYR 111           HE2      TYR 111  20.181  -8.722   6.695
  899    HH   TYR 111           HH       TYR 111  21.725  -9.082   4.949
  900    H    ASN 112           H        ASN 112  13.370  -6.958   6.636
  901    HA   ASN 112           HA       ASN 112  12.072  -4.780   5.160
  902   1HB   ASN 112          2HB       ASN 112  10.695  -6.955   5.026
  903   2HB   ASN 112          3HB       ASN 112  10.432  -6.761   6.754
  904   1HD2  ASN 112          1HD2      ASN 112   8.248  -6.850   5.241
  905   2HD2  ASN 112          2HD2      ASN 112   7.530  -5.279   5.088
  906    H    SER 113           H        SER 113  10.948  -3.294   6.651
  907    HA   SER 113           HA       SER 113  12.579  -2.947   8.986
  908   1HB   SER 113          2HB       SER 113  12.242  -0.844   8.266
  909   2HB   SER 113          3HB       SER 113  10.819  -1.304   7.337
  910    HG   SER 113           HG       SER 113   9.547  -0.817   8.981
  911    H    GLU 114           H        GLU 114  12.026  -3.073  11.078
  912    HA   GLU 114           HA       GLU 114   9.430  -4.294  11.724
  913   1HB   GLU 114          2HB       GLU 114  12.112  -4.676  12.705
  914   2HB   GLU 114          3HB       GLU 114  11.056  -4.202  14.029
  915   1HG   GLU 114          2HG       GLU 114   9.938  -6.252  12.269
  916   2HG   GLU 114          3HG       GLU 114  11.399  -6.739  13.124
  917    H    GLY 115           H        GLY 115  10.175  -1.386  11.205
  918   1HA   GLY 115          1HA       GLY 115   8.963  -0.326  13.680
  919   2HA   GLY 115          2HA       GLY 115  10.294   0.501  12.882
  920    H    GLY 116           H        GLY 116   9.920   1.179  10.628
  921   1HA   GLY 116          1HA       GLY 116   7.762   1.281   9.108
  922   2HA   GLY 116          2HA       GLY 116   7.260   2.346  10.414
  923    H    MET 117           H        MET 117   7.269   3.505   8.059
  924    HA   MET 117           HA       MET 117   9.724   4.669   7.227
  925   1HB   MET 117          2HB       MET 117   7.938   4.702   5.663
  926   2HB   MET 117          3HB       MET 117   6.824   5.400   6.829
  927   1HG   MET 117          2HG       MET 117   7.709   7.523   6.606
  928   2HG   MET 117          3HG       MET 117   9.240   6.926   5.965
  929   1HE   MET 117          1HE       MET 117   9.064   5.261   3.854
  930   2HE   MET 117          2HE       MET 117   8.433   5.951   2.358
  931   3HE   MET 117          3HE       MET 117   9.699   6.793   3.253
  932    H    ASP 118           H        ASP 118   7.258   5.515   9.545
  933    HA   ASP 118           HA       ASP 118   8.149   8.110  10.191
  934   1HB   ASP 118          2HB       ASP 118   6.644   8.009  12.004
  935   2HB   ASP 118          3HB       ASP 118   5.911   6.985  10.773
  936    H    LYS 119           H        LYS 119   9.240   4.913  11.131
  937    HA   LYS 119           HA       LYS 119  10.608   5.695  13.474
  938   1HB   LYS 119          2HB       LYS 119  10.188   3.285  11.964
  939   2HB   LYS 119          3HB       LYS 119  11.891   3.434  12.380
  940   1HG   LYS 119          2HG       LYS 119  10.823   2.197  14.106
  941   2HG   LYS 119          3HG       LYS 119  11.204   3.795  14.750
  942   1HD   LYS 119          2HD       LYS 119   8.642   3.997  13.616
  943   2HD   LYS 119          3HD       LYS 119   8.661   2.480  14.518
  944   1HE   LYS 119          2HE       LYS 119   9.020   3.525  16.531
  945   2HE   LYS 119          3HE       LYS 119   9.789   4.926  15.790
  946   1HZ   LYS 119          HZ1       LYS 119   7.412   5.290  14.813
  947   2HZ   LYS 119          HZ2       LYS 119   6.934   4.338  16.135
  948   3HZ   LYS 119          HZ3       LYS 119   7.777   5.787  16.396
  949    H    TRP 120           H        TRP 120  11.450   5.651  10.082
  950    HA   TRP 120           HA       TRP 120  14.238   5.942  10.285
  951   1HB   TRP 120          HB2       TRP 120  12.751   5.634   8.186
  952   2HB   TRP 120          HB3       TRP 120  12.587   7.387   8.221
  953    HD1  TRP 120           HD1      TRP 120  14.603   8.807   7.387
  954    HE1  TRP 120           HE1      TRP 120  16.845   8.258   6.253
  955    HE3  TRP 120           HE3      TRP 120  14.629   3.744   8.074
  956    HZ2  TRP 120           HZ2      TRP 120  18.400   5.970   5.696
  957    HZ3  TRP 120           HZ3      TRP 120  16.526   2.442   7.195
  958    HH2  TRP 120           HH2      TRP 120  18.370   3.535   6.030
  959    H    LEU 121           H        LEU 121  11.662   8.414  10.109
  960    HA   LEU 121           HA       LEU 121  13.346  10.627  10.550
  961   1HB   LEU 121          2HB       LEU 121  10.503  10.075  10.301
  962   2HB   LEU 121          3HB       LEU 121  10.819  11.298  11.515
  963    HG   LEU 121           HG       LEU 121  11.428  11.399   8.568
  964   1HD1  LEU 121          1HD1      LEU 121   9.207  12.107   9.766
  965   2HD1  LEU 121          2HD1      LEU 121  10.140  13.548  10.171
  966   3HD1  LEU 121          3HD1      LEU 121   9.904  13.096   8.483
  967   1HD2  LEU 121          1HD2      LEU 121  13.024  12.492  10.672
  968   2HD2  LEU 121          2HD2      LEU 121  13.220  12.661   8.927
  969   3HD2  LEU 121          3HD2      LEU 121  12.216  13.807   9.816
  970    H    GLU 122           H        GLU 122  11.425   8.582  12.725
  971    HA   GLU 122           HA       GLU 122  11.742  10.199  15.014
  972   1HB   GLU 122          2HB       GLU 122  10.171   8.103  14.433
  973   2HB   GLU 122          3HB       GLU 122  11.396   7.276  15.386
  974   1HG   GLU 122          2HG       GLU 122  10.997   9.090  17.140
  975   2HG   GLU 122          3HG       GLU 122   9.541   9.473  16.225
  976    H    GLU 123           H        GLU 123  13.558   7.374  13.878
  977    HA   GLU 123           HA       GLU 123  15.219   7.194  16.174
  978   1HB   GLU 123          2HB       GLU 123  15.582   6.125  13.371
  979   2HB   GLU 123          3HB       GLU 123  16.630   5.721  14.725
  980   1HG   GLU 123          2HG       GLU 123  14.543   4.905  15.910
  981   2HG   GLU 123          3HG       GLU 123  13.732   5.036  14.352
  982    H    GLY 124           H        GLY 124  15.206   9.285  13.487
  983   1HA   GLY 124          1HA       GLY 124  16.452  11.271  13.408
  984   2HA   GLY 124          2HA       GLY 124  17.620  10.557  14.510
  985    H    LEU 125           H        LEU 125  16.575   8.786  11.722
  986    HA   LEU 125           HA       LEU 125  19.280   8.717  10.746
  987   1HB   LEU 125          2HB       LEU 125  16.734   7.490   9.686
  988   2HB   LEU 125          3HB       LEU 125  18.328   7.198   9.015
  989    HG   LEU 125           HG       LEU 125  17.448   6.480  11.814
  990   1HD1  LEU 125          1HD1      LEU 125  17.108   5.162   9.304
  991   2HD1  LEU 125          2HD1      LEU 125  18.201   4.222  10.324
  992   3HD1  LEU 125          3HD1      LEU 125  16.596   4.652  10.915
  993   1HD2  LEU 125          1HD2      LEU 125  20.051   6.800  10.673
  994   2HD2  LEU 125          2HD2      LEU 125  19.605   6.300  12.305
  995   3HD2  LEU 125          3HD2      LEU 125  19.776   5.095  11.029
  996    HA   PRO 126           HA       PRO 126  19.284  11.952   7.792
  997   1HB   PRO 126          2HB       PRO 126  20.341  10.639   5.585
  998   2HB   PRO 126          3HB       PRO 126  21.287  11.331   6.906
  999   1HG   PRO 126          2HG       PRO 126  20.403   8.504   6.480
 1000   2HG   PRO 126          3HG       PRO 126  21.964   9.117   7.067
 1001   1HD   PRO 126          2HD       PRO 126  20.176   8.115   8.768
 1002   2HD   PRO 126          3HD       PRO 126  21.123   9.556   9.201
 1003    H    SER 127           H        SER 127  17.521  12.723   6.878
 1004    HA   SER 127           HA       SER 127  16.097  11.078   4.914
 1005   1HB   SER 127          2HB       SER 127  14.151  12.662   6.118
 1006   2HB   SER 127          3HB       SER 127  14.400  10.936   6.389
 1007    HG   SER 127           HG       SER 127  15.766  11.460   8.131
 1008    H    LEU 128           H        LEU 128  14.833  12.313   3.391
 1009    HA   LEU 128           HA       LEU 128  15.892  15.029   2.981
 1010   1HB   LEU 128          2HB       LEU 128  14.906  12.966   1.015
 1011   2HB   LEU 128          3HB       LEU 128  15.207  14.637   0.579
 1012    HG   LEU 128           HG       LEU 128  17.469  13.302   1.902
 1013   1HD1  LEU 128          1HD1      LEU 128  16.222  12.222  -0.574
 1014   2HD1  LEU 128          2HD1      LEU 128  17.983  12.293  -0.477
 1015   3HD1  LEU 128          3HD1      LEU 128  17.069  11.381   0.725
 1016   1HD2  LEU 128          1HD2      LEU 128  16.923  15.328  -0.148
 1017   2HD2  LEU 128          2HD2      LEU 128  18.226  15.233   1.036
 1018   3HD2  LEU 128          3HD2      LEU 128  18.330  14.317  -0.466
 1019    H    ASP 129           H        ASP 129  14.431  16.322   3.903
 1020    HA   ASP 129           HA       ASP 129  11.679  16.210   2.880
 1021   1HB   ASP 129          2HB       ASP 129  11.282  15.422   5.044
 1022   2HB   ASP 129          3HB       ASP 129  12.597  16.364   5.735
 1023    H    ARG 130           H        ARG 130  10.954  18.146   2.155
 1024    HA   ARG 130           HA       ARG 130  10.845  20.334   1.624
 1025   1HB   ARG 130          2HB       ARG 130  11.823  20.369   4.303
 1026   2HB   ARG 130          3HB       ARG 130  12.660  21.617   3.390
 1027   1HG   ARG 130          2HG       ARG 130  10.890  22.933   3.516
 1028   2HG   ARG 130          3HG       ARG 130   9.888  21.707   2.738
 1029   1HD   ARG 130          2HD       ARG 130  10.545  21.760   5.677
 1030   2HD   ARG 130          3HD       ARG 130   9.067  22.421   4.978
 1031    HE   ARG 130           HE       ARG 130   9.805  19.584   5.166
 1032   1HH1  ARG 130          1HH1      ARG 130   7.451  22.037   4.287
 1033   2HH1  ARG 130          2HH1      ARG 130   6.137  20.907   4.152
 1034   1HH2  ARG 130          1HH2      ARG 130   8.095  18.099   4.943
 1035   2HH2  ARG 130          2HH2      ARG 130   6.507  18.672   4.507
 1036    H    SER 131           H        SER 131  14.162  19.462   2.548
 1037    HA   SER 131           HA       SER 131  16.164  19.698   1.529
 1038   1HB   SER 131          2HB       SER 131  14.796  20.197  -1.103
 1039   2HB   SER 131          3HB       SER 131  16.309  19.346  -0.782
 1040    HG   SER 131           HG       SER 131  13.763  18.431   0.068
 1041    H    HIS 132           H        HIS 132  16.462  21.630   2.713
 1042    HA   HIS 132           HA       HIS 132  15.661  24.171   1.806
 1043   1HB   HIS 132          2HB       HIS 132  17.403  23.091   3.898
 1044   2HB   HIS 132          3HB       HIS 132  17.932  24.657   3.293
 1045    HD1  HIS 132           HD1      HIS 132  15.926  23.293   5.861
 1046    HD2  HIS 132           HD2      HIS 132  15.490  26.516   3.261
 1047    HE1  HIS 132           HE1      HIS 132  14.222  24.801   6.928
 1048    HE2  HIS 132           HE2      HIS 132  13.891  26.688   5.292
 1049    H    HIS 133           H        HIS 133  18.883  22.660   1.693
 1050    HA   HIS 133           HA       HIS 133  19.371  23.540  -0.959
 1051   1HB   HIS 133          2HB       HIS 133  20.162  25.319   1.195
 1052   2HB   HIS 133          3HB       HIS 133  21.559  24.776   0.271
 1053    HD1  HIS 133           HD1      HIS 133  20.663  24.845  -2.568
 1054    HD2  HIS 133           HD2      HIS 133  19.459  27.714   0.195
 1055    HE1  HIS 133           HE1      HIS 133  19.988  26.854  -3.923
 1056    HE2  HIS 133           HE2      HIS 133  19.355  28.610  -2.230
 1057    H    HIS 134           H        HIS 134  20.694  22.091  -1.835
 1058    HA   HIS 134           HA       HIS 134  22.400  20.513  -0.025
 1059   1HB   HIS 134          2HB       HIS 134  20.476  19.457  -1.489
 1060   2HB   HIS 134          3HB       HIS 134  21.682  19.560  -2.767
 1061    HD1  HIS 134           HD1      HIS 134  23.333  18.902   0.398
 1062    HD2  HIS 134           HD2      HIS 134  21.405  16.626  -2.509
 1063    HE1  HIS 134           HE1      HIS 134  24.054  16.527   0.798
 1064    HE2  HIS 134           HE2      HIS 134  23.035  15.202  -1.086
 1065    H    HIS 135           H        HIS 135  22.304  22.594  -2.758
 1066    HA   HIS 135           HA       HIS 135  25.225  22.461  -2.902
 1067   1HB   HIS 135          2HB       HIS 135  23.362  21.819  -5.070
 1068   2HB   HIS 135          3HB       HIS 135  24.521  23.073  -5.505
 1069    HD1  HIS 135           HD1      HIS 135  26.674  22.227  -6.400
 1070    HD2  HIS 135           HD2      HIS 135  24.801  19.438  -3.935
 1071    HE1  HIS 135           HE1      HIS 135  28.108  20.161  -6.488
 1072    HE2  HIS 135           HE2      HIS 135  27.006  18.512  -4.933
 1073    H    HIS 136           H        HIS 136  26.218  24.402  -3.362
 1074    HA   HIS 136           HA       HIS 136  24.454  26.771  -3.307
 1075   1HB   HIS 136          2HB       HIS 136  26.658  26.076  -1.675
 1076   2HB   HIS 136          3HB       HIS 136  27.210  27.382  -2.719
 1077    HD1  HIS 136           HD1      HIS 136  24.372  26.630  -0.302
 1078    HD2  HIS 136           HD2      HIS 136  26.479  29.857  -1.873
 1079    HE1  HIS 136           HE1      HIS 136  23.539  28.652   0.933
 1080    HE2  HIS 136           HE2      HIS 136  25.004  30.541   0.141
 1081    H    HIS 137           H        HIS 137  26.571  24.934  -5.105
 1082    HA   HIS 137           HA       HIS 137  26.568  26.797  -7.307
 1083   1HB   HIS 137          2HB       HIS 137  28.586  27.533  -6.178
 1084   2HB   HIS 137          3HB       HIS 137  29.131  25.873  -5.975
 1085    HD1  HIS 137           HD1      HIS 137  30.422  24.823  -7.889
 1086    HD2  HIS 137           HD2      HIS 137  28.828  28.545  -8.836
 1087    HE1  HIS 137           HE1      HIS 137  31.497  25.489 -10.063
 1088    HE2  HIS 137           HE2      HIS 137  30.641  27.815 -10.530
 1089   1H    ALA   1           H1       ALA   1  20.043  -6.961 -13.237
 1090   2H    ALA   1           H2       ALA   1  20.580  -5.552 -12.465
 1091   3H    ALA   1           H3       ALA   1  19.466  -5.445 -13.743
 1092    HA   ALA   1           HA       ALA   1  21.576  -4.812 -14.578
 1093   1HB   ALA   1          1HB       ALA   1  22.910  -5.876 -12.810
 1094   2HB   ALA   1          2HB       ALA   1  22.587  -7.452 -13.531
 1095   3HB   ALA   1          3HB       ALA   1  23.523  -6.251 -14.420
 1096    H    ASP   2           H        ASP   2  20.519  -8.214 -14.606
 1097    HA   ASP   2           HA       ASP   2  19.964  -7.987 -17.450
 1098   1HB   ASP   2          2HB       ASP   2  21.848  -8.982 -18.139
 1099   2HB   ASP   2          3HB       ASP   2  22.373  -9.220 -16.478
 1100    H    MET   3           H        MET   3  19.913  -9.894 -14.492
 1101    HA   MET   3           HA       MET   3  17.958 -11.733 -15.555
 1102   1HB   MET   3          2HB       MET   3  19.625 -11.544 -13.177
 1103   2HB   MET   3          3HB       MET   3  17.992 -12.087 -12.813
 1104   1HG   MET   3          2HG       MET   3  18.644 -13.568 -15.024
 1105   2HG   MET   3          3HG       MET   3  20.173 -13.466 -14.152
 1106   1HE   MET   3          1HE       MET   3  20.805 -15.351 -13.197
 1107   2HE   MET   3          2HE       MET   3  19.890 -16.507 -12.230
 1108   3HE   MET   3          3HE       MET   3  19.694 -16.474 -13.982
 1109    H    GLY   4           H        GLY   4  17.811  -8.638 -14.524
 1110   1HA   GLY   4          1HA       GLY   4  15.614  -8.456 -12.821
 1111   2HA   GLY   4          2HA       GLY   4  16.072  -7.226 -13.989
 1112    H    GLU   5           H        GLU   5  15.747  -9.161 -16.184
 1113    HA   GLU   5           HA       GLU   5  12.959  -8.716 -16.747
 1114   1HB   GLU   5          2HB       GLU   5  15.331  -9.602 -18.208
 1115   2HB   GLU   5          3HB       GLU   5  13.877 -10.477 -18.671
 1116   1HG   GLU   5          2HG       GLU   5  13.727  -7.521 -18.488
 1117   2HG   GLU   5          3HG       GLU   5  14.597  -8.228 -19.849
 1118    H    LYS   6           H        LYS   6  14.952 -11.388 -15.747
 1119    HA   LYS   6           HA       LYS   6  13.192 -13.468 -16.337
 1120   1HB   LYS   6          2HB       LYS   6  15.057 -14.574 -15.864
 1121   2HB   LYS   6          3HB       LYS   6  15.744 -13.159 -15.086
 1122   1HG   LYS   6          2HG       LYS   6  15.831 -14.559 -13.332
 1123   2HG   LYS   6          3HG       LYS   6  14.174 -14.003 -13.099
 1124   1HD   LYS   6          2HD       LYS   6  14.031 -16.335 -12.930
 1125   2HD   LYS   6          3HD       LYS   6  13.496 -15.982 -14.574
 1126   1HE   LYS   6          2HE       LYS   6  15.946 -16.390 -15.236
 1127   2HE   LYS   6          3HE       LYS   6  16.107 -17.138 -13.648
 1128   1HZ   LYS   6          HZ1       LYS   6  13.912 -17.980 -15.414
 1129   2HZ   LYS   6          HZ2       LYS   6  15.480 -18.564 -15.706
 1130   3HZ   LYS   6          HZ3       LYS   6  14.724 -18.859 -14.213
 1131    H    PHE   7           H        PHE   7  13.620 -11.711 -13.233
 1132    HA   PHE   7           HA       PHE   7  11.502 -13.310 -12.090
 1133   1HB   PHE   7          2HB       PHE   7  11.847 -11.911 -10.039
 1134   2HB   PHE   7          3HB       PHE   7  13.267 -12.788 -10.581
 1135    HD1  PHE   7           HD1      PHE   7  11.670  -9.427 -10.792
 1136    HD2  PHE   7           HD2      PHE   7  15.280 -11.683 -10.785
 1137    HE1  PHE   7           HE1      PHE   7  12.970  -7.341 -10.723
 1138    HE2  PHE   7           HE2      PHE   7  16.584  -9.598 -10.718
 1139    HZ   PHE   7           HZ       PHE   7  15.427  -7.424 -10.686
 1140    H    ASP   8           H        ASP   8  11.783 -10.261 -13.633
 1141    HA   ASP   8           HA       ASP   8   9.646  -8.839 -12.603
 1142   1HB   ASP   8          2HB       ASP   8  10.882  -7.595 -14.108
 1143   2HB   ASP   8          3HB       ASP   8  10.962  -8.901 -15.286
 1144    H    ALA   9           H        ALA   9   9.575 -11.203 -15.281
 1145    HA   ALA   9           HA       ALA   9   6.821 -11.039 -15.792
 1146   1HB   ALA   9          1HB       ALA   9   9.035 -12.617 -16.667
 1147   2HB   ALA   9          2HB       ALA   9   7.658 -13.668 -16.344
 1148   3HB   ALA   9          3HB       ALA   9   7.495 -12.320 -17.471
 1149    H    THR  10           H        THR  10   8.675 -13.168 -13.639
 1150    HA   THR  10           HA       THR  10   6.531 -14.774 -12.789
 1151    HB   THR  10           HB       THR  10   8.559 -14.288 -10.737
 1152    HG1  THR  10           HG1      THR  10   9.614 -15.495 -13.034
 1153   1HG2  THR  10          1HG2      THR  10   7.432 -16.604 -12.268
 1154   2HG2  THR  10          2HG2      THR  10   8.912 -16.806 -11.332
 1155   3HG2  THR  10          3HG2      THR  10   7.424 -16.302 -10.529
 1156    H    PHE  11           H        PHE  11   7.868 -11.753 -11.499
 1157    HA   PHE  11           HA       PHE  11   6.320 -11.504  -9.197
 1158   1HB   PHE  11          2HB       PHE  11   8.277 -10.026 -10.191
 1159   2HB   PHE  11          3HB       PHE  11   6.946  -9.084 -10.852
 1160    HD1  PHE  11           HD1      PHE  11   5.060  -8.502  -9.079
 1161    HD2  PHE  11           HD2      PHE  11   9.111  -9.427  -8.145
 1162    HE1  PHE  11           HE1      PHE  11   4.832  -7.328  -6.926
 1163    HE2  PHE  11           HE2      PHE  11   8.887  -8.259  -5.993
 1164    HZ   PHE  11           HZ       PHE  11   6.747  -7.211  -5.381
 1165    H    LYS  12           H        LYS  12   5.638 -10.602 -12.522
 1166    HA   LYS  12           HA       LYS  12   3.185  -9.297 -12.092
 1167   1HB   LYS  12          2HB       LYS  12   4.838 -10.179 -14.292
 1168   2HB   LYS  12          3HB       LYS  12   3.140 -10.430 -14.629
 1169   1HG   LYS  12          2HG       LYS  12   3.354  -8.315 -15.413
 1170   2HG   LYS  12          3HG       LYS  12   2.972  -7.947 -13.729
 1171   1HD   LYS  12          2HD       LYS  12   4.978  -7.036 -13.381
 1172   2HD   LYS  12          3HD       LYS  12   5.806  -8.408 -14.121
 1173   1HE   LYS  12          2HE       LYS  12   5.892  -7.423 -16.172
 1174   2HE   LYS  12          3HE       LYS  12   4.399  -6.518 -15.920
 1175   1HZ   LYS  12          HZ1       LYS  12   5.592  -5.047 -14.415
 1176   2HZ   LYS  12          HZ2       LYS  12   7.032  -5.910 -14.684
 1177   3HZ   LYS  12          HZ3       LYS  12   6.308  -5.054 -15.953
 1178    H    ALA  13           H        ALA  13   4.066 -12.647 -12.324
 1179    HA   ALA  13           HA       ALA  13   1.425 -13.620 -12.901
 1180   1HB   ALA  13          1HB       ALA  13   4.073 -14.779 -12.482
 1181   2HB   ALA  13          2HB       ALA  13   2.759 -15.754 -11.825
 1182   3HB   ALA  13          3HB       ALA  13   2.756 -15.304 -13.530
 1183    H    GLN  14           H        GLN  14   3.410 -13.215 -10.011
 1184    HA   GLN  14           HA       GLN  14   1.537 -14.438  -8.233
 1185   1HB   GLN  14          2HB       GLN  14   4.055 -12.890  -7.972
 1186   2HB   GLN  14          3HB       GLN  14   2.976 -12.876  -6.584
 1187   1HG   GLN  14          2HG       GLN  14   2.991 -15.500  -7.127
 1188   2HG   GLN  14          3HG       GLN  14   4.596 -15.060  -7.704
 1189   1HE2  GLN  14          1HE2      GLN  14   5.931 -15.770  -6.180
 1190   2HE2  GLN  14          2HE2      GLN  14   5.822 -15.404  -4.486
 1191    H    VAL  15           H        VAL  15   2.410 -11.071  -8.936
 1192    HA   VAL  15           HA       VAL  15   0.559  -9.887  -7.211
 1193    HB   VAL  15           HB       VAL  15   2.475  -8.988  -9.088
 1194   1HG1  VAL  15          1HG1      VAL  15  -0.228  -7.753  -9.530
 1195   2HG1  VAL  15          2HG1      VAL  15   1.282  -6.938  -9.932
 1196   3HG1  VAL  15          3HG1      VAL  15   0.860  -8.455 -10.728
 1197   1HG2  VAL  15          1HG2      VAL  15   1.414  -8.271  -6.598
 1198   2HG2  VAL  15          2HG2      VAL  15   2.835  -7.597  -7.397
 1199   3HG2  VAL  15          3HG2      VAL  15   1.256  -6.842  -7.621
 1200    H    LYS  16           H        LYS  16   0.155 -11.079 -10.488
 1201    HA   LYS  16           HA       LYS  16  -2.379  -9.903 -10.999
 1202   1HB   LYS  16          2HB       LYS  16  -0.578 -11.370 -12.461
 1203   2HB   LYS  16          3HB       LYS  16  -1.893 -12.517 -12.237
 1204   1HG   LYS  16          2HG       LYS  16  -3.298 -10.347 -12.967
 1205   2HG   LYS  16          3HG       LYS  16  -1.785 -10.041 -13.824
 1206   1HD   LYS  16          2HD       LYS  16  -3.418 -12.576 -13.995
 1207   2HD   LYS  16          3HD       LYS  16  -3.392 -11.290 -15.204
 1208   1HE   LYS  16          2HE       LYS  16  -0.723 -11.878 -14.834
 1209   2HE   LYS  16          3HE       LYS  16  -1.503 -13.456 -14.731
 1210   1HZ   LYS  16          HZ1       LYS  16  -2.688 -12.744 -16.861
 1211   2HZ   LYS  16          HZ2       LYS  16  -1.498 -11.543 -16.983
 1212   3HZ   LYS  16          HZ3       LYS  16  -1.051 -13.178 -16.977
 1213    H    ALA  17           H        ALA  17  -1.374 -12.970  -9.569
 1214    HA   ALA  17           HA       ALA  17  -3.914 -14.172  -9.450
 1215   1HB   ALA  17          1HB       ALA  17  -1.379 -14.992  -8.915
 1216   2HB   ALA  17          2HB       ALA  17  -2.060 -14.890  -7.292
 1217   3HB   ALA  17          3HB       ALA  17  -2.834 -15.902  -8.511
 1218    H    ALA  18           H        ALA  18  -2.391 -11.794  -7.445
 1219    HA   ALA  18           HA       ALA  18  -3.845 -12.161  -5.074
 1220   1HB   ALA  18          1HB       ALA  18  -1.756 -10.701  -5.580
 1221   2HB   ALA  18          2HB       ALA  18  -2.943  -9.446  -5.935
 1222   3HB   ALA  18          3HB       ALA  18  -2.899 -10.190  -4.338
 1223    H    LYS  19           H        LYS  19  -4.471  -9.937  -7.817
 1224    HA   LYS  19           HA       LYS  19  -6.978  -9.065  -6.736
 1225   1HB   LYS  19          2HB       LYS  19  -7.233  -7.996  -8.996
 1226   2HB   LYS  19          3HB       LYS  19  -5.799  -7.508  -8.105
 1227   1HG   LYS  19          2HG       LYS  19  -4.398  -8.382  -9.625
 1228   2HG   LYS  19          3HG       LYS  19  -5.420  -9.790  -9.918
 1229   1HD   LYS  19          2HD       LYS  19  -6.877  -7.644 -10.922
 1230   2HD   LYS  19          3HD       LYS  19  -5.213  -7.308 -11.399
 1231   1HE   LYS  19          2HE       LYS  19  -5.119  -9.069 -12.809
 1232   2HE   LYS  19          3HE       LYS  19  -6.126 -10.084 -11.780
 1233   1HZ   LYS  19          HZ1       LYS  19  -7.741  -8.030 -12.749
 1234   2HZ   LYS  19          HZ2       LYS  19  -6.863  -8.625 -14.070
 1235   3HZ   LYS  19          HZ3       LYS  19  -7.808  -9.678 -13.137
 1236    H    ALA  20           H        ALA  20  -5.878 -11.683  -8.585
 1237    HA   ALA  20           HA       ALA  20  -8.287 -12.266 -10.018
 1238   1HB   ALA  20          1HB       ALA  20  -5.811 -13.092 -10.395
 1239   2HB   ALA  20          2HB       ALA  20  -6.352 -14.430  -9.382
 1240   3HB   ALA  20          3HB       ALA  20  -7.194 -14.068 -10.890
 1241    H    ASP  21           H        ASP  21  -7.257 -12.762  -6.785
 1242    HA   ASP  21           HA       ASP  21  -8.914 -15.039  -6.238
 1243   1HB   ASP  21          2HB       ASP  21  -6.759 -14.125  -5.002
 1244   2HB   ASP  21          3HB       ASP  21  -7.947 -13.231  -4.062
 1245    H    MET  22           H        MET  22  -9.605 -11.781  -6.686
 1246    HA   MET  22           HA       MET  22 -12.037 -12.004  -5.033
 1247   1HB   MET  22          2HB       MET  22 -10.873  -9.396  -5.975
 1248   2HB   MET  22          3HB       MET  22 -12.026  -9.673  -4.680
 1249   1HG   MET  22          2HG       MET  22 -10.245 -10.776  -3.378
 1250   2HG   MET  22          3HG       MET  22  -9.104 -10.380  -4.663
 1251   1HE   MET  22          1HE       MET  22 -12.015  -8.010  -3.945
 1252   2HE   MET  22          2HE       MET  22 -11.831  -8.636  -2.305
 1253   3HE   MET  22          3HE       MET  22 -11.426  -6.956  -2.659
 1254    H    VAL  23           H        VAL  23 -13.899 -10.711  -5.890
 1255    HA   VAL  23           HA       VAL  23 -14.358 -11.306  -8.668
 1256    HB   VAL  23           HB       VAL  23 -16.067  -9.649  -6.799
 1257   1HG1  VAL  23          1HG1      VAL  23 -16.288 -10.348  -9.591
 1258   2HG1  VAL  23          2HG1      VAL  23 -17.659 -10.967  -8.670
 1259   3HG1  VAL  23          3HG1      VAL  23 -17.273  -9.247  -8.627
 1260   1HG2  VAL  23          1HG2      VAL  23 -15.590 -11.996  -6.016
 1261   2HG2  VAL  23          2HG2      VAL  23 -17.295 -11.607  -6.264
 1262   3HG2  VAL  23          3HG2      VAL  23 -16.426 -12.562  -7.465
 1263    H    MET  24           H        MET  24 -13.439 -10.108 -10.175
 1264    HA   MET  24           HA       MET  24 -12.471  -7.474  -9.622
 1265   1HB   MET  24          2HB       MET  24 -12.576  -8.972 -12.245
 1266   2HB   MET  24          3HB       MET  24 -11.607  -7.545 -11.905
 1267   1HG   MET  24          2HG       MET  24 -11.138  -9.714 -10.023
 1268   2HG   MET  24          3HG       MET  24 -10.785 -10.151 -11.694
 1269   1HE   MET  24          1HE       MET  24 -10.067  -7.752  -8.749
 1270   2HE   MET  24          2HE       MET  24  -8.776  -6.718  -9.362
 1271   3HE   MET  24          3HE       MET  24 -10.417  -6.544  -9.987
 1272    H    LEU  25           H        LEU  25 -13.928  -5.852  -9.451
 1273    HA   LEU  25           HA       LEU  25 -15.939  -5.648 -11.588
 1274   1HB   LEU  25          2HB       LEU  25 -16.216  -5.645  -8.711
 1275   2HB   LEU  25          3HB       LEU  25 -16.838  -4.157  -9.394
 1276    HG   LEU  25           HG       LEU  25 -17.891  -6.914  -9.588
 1277   1HD1  LEU  25          1HD1      LEU  25 -18.958  -5.197  -8.227
 1278   2HD1  LEU  25          2HD1      LEU  25 -19.161  -4.181  -9.654
 1279   3HD1  LEU  25          3HD1      LEU  25 -20.015  -5.719  -9.538
 1280   1HD2  LEU  25          1HD2      LEU  25 -17.428  -5.299 -11.955
 1281   2HD2  LEU  25          2HD2      LEU  25 -17.969  -6.973 -11.815
 1282   3HD2  LEU  25          3HD2      LEU  25 -19.137  -5.655 -11.709
 1283    H    SER  26           H        SER  26 -16.444  -3.645 -12.365
 1284    HA   SER  26           HA       SER  26 -14.298  -1.706 -12.226
 1285   1HB   SER  26          2HB       SER  26 -16.510  -0.863 -13.860
 1286   2HB   SER  26          3HB       SER  26 -14.891  -1.351 -14.365
 1287    HG   SER  26           HG       SER  26 -17.264  -2.789 -14.339
 1288    HA   PRO  27           HA       PRO  27 -15.782   0.942  -9.063
 1289   1HB   PRO  27          2HB       PRO  27 -15.489   3.308 -10.665
 1290   2HB   PRO  27          3HB       PRO  27 -14.439   2.710  -9.382
 1291   1HG   PRO  27          2HG       PRO  27 -14.220   2.369 -12.314
 1292   2HG   PRO  27          3HG       PRO  27 -12.948   2.370 -11.078
 1293   1HD   PRO  27          2HD       PRO  27 -13.673   0.104 -12.258
 1294   2HD   PRO  27          3HD       PRO  27 -13.327   0.134 -10.522
 1295    H    LYS  28           H        LYS  28 -17.230   1.416 -12.308
 1296    HA   LYS  28           HA       LYS  28 -19.401   2.990 -11.290
 1297   1HB   LYS  28          2HB       LYS  28 -19.054   1.521 -13.909
 1298   2HB   LYS  28          3HB       LYS  28 -20.437   2.537 -13.526
 1299   1HG   LYS  28          2HG       LYS  28 -18.893   4.444 -13.221
 1300   2HG   LYS  28          3HG       LYS  28 -17.567   3.408 -13.751
 1301   1HD   LYS  28          2HD       LYS  28 -20.032   4.018 -15.381
 1302   2HD   LYS  28          3HD       LYS  28 -18.494   4.863 -15.543
 1303   1HE   LYS  28          2HE       LYS  28 -19.288   2.158 -16.433
 1304   2HE   LYS  28          3HE       LYS  28 -18.207   3.324 -17.187
 1305   1HZ   LYS  28          HZ1       LYS  28 -16.834   2.613 -14.971
 1306   2HZ   LYS  28          HZ2       LYS  28 -17.612   1.159 -15.380
 1307   3HZ   LYS  28          HZ3       LYS  28 -16.613   1.933 -16.511
 1308    H    ASP  29           H        ASP  29 -18.899  -0.394 -12.104
 1309    HA   ASP  29           HA       ASP  29 -21.568  -1.260 -11.576
 1310   1HB   ASP  29          2HB       ASP  29 -18.954  -2.792 -11.613
 1311   2HB   ASP  29          3HB       ASP  29 -20.547  -3.536 -11.540
 1312    H    ALA  30           H        ALA  30 -18.650  -0.878  -9.740
 1313    HA   ALA  30           HA       ALA  30 -19.529  -2.194  -7.364
 1314   1HB   ALA  30          1HB       ALA  30 -17.268  -0.394  -8.074
 1315   2HB   ALA  30          2HB       ALA  30 -17.671  -0.612  -6.371
 1316   3HB   ALA  30          3HB       ALA  30 -17.248  -2.007  -7.363
 1317    H    TYR  31           H        TYR  31 -19.509   1.148  -8.496
 1318    HA   TYR  31           HA       TYR  31 -20.591   2.303  -6.152
 1319   1HB   TYR  31          HB2       TYR  31 -19.394   3.674  -7.709
 1320   2HB   TYR  31          HB3       TYR  31 -20.474   3.230  -9.020
 1321    HD1  TYR  31           HD1      TYR  31 -20.474   4.919  -5.706
 1322    HD2  TYR  31           HD2      TYR  31 -22.231   4.639  -9.569
 1323    HE1  TYR  31           HE1      TYR  31 -21.842   6.906  -5.226
 1324    HE2  TYR  31           HE2      TYR  31 -23.604   6.623  -9.101
 1325    HH   TYR  31           HH       TYR  31 -23.089   8.591  -6.295
 1326    H    LYS  32           H        LYS  32 -22.024   0.791  -8.959
 1327    HA   LYS  32           HA       LYS  32 -24.636   1.781  -8.713
 1328   1HB   LYS  32          2HB       LYS  32 -24.329   0.729 -10.731
 1329   2HB   LYS  32          3HB       LYS  32 -23.371  -0.568 -10.036
 1330   1HG   LYS  32          2HG       LYS  32 -25.300  -1.649 -10.687
 1331   2HG   LYS  32          3HG       LYS  32 -25.599  -1.336  -8.977
 1332   1HD   LYS  32          2HD       LYS  32 -26.722   0.843  -9.834
 1333   2HD   LYS  32          3HD       LYS  32 -26.782  -0.001 -11.384
 1334   1HE   LYS  32          2HE       LYS  32 -28.115  -1.746 -10.477
 1335   2HE   LYS  32          3HE       LYS  32 -27.839  -1.188  -8.828
 1336   1HZ   LYS  32          HZ1       LYS  32 -28.951   0.951 -10.159
 1337   2HZ   LYS  32          HZ2       LYS  32 -29.842  -0.395 -10.677
 1338   3HZ   LYS  32          HZ3       LYS  32 -29.713  -0.046  -9.019
 1339    H    LEU  33           H        LEU  33 -23.247  -1.275  -7.488
 1340    HA   LEU  33           HA       LEU  33 -25.620  -1.943  -6.045
 1341   1HB   LEU  33          2HB       LEU  33 -23.843  -3.511  -4.844
 1342   2HB   LEU  33          3HB       LEU  33 -24.512  -3.873  -6.422
 1343    HG   LEU  33           HG       LEU  33 -22.282  -2.359  -7.028
 1344   1HD1  LEU  33          1HD1      LEU  33 -21.779  -2.770  -4.488
 1345   2HD1  LEU  33          2HD1      LEU  33 -21.298  -4.370  -5.058
 1346   3HD1  LEU  33          3HD1      LEU  33 -20.501  -2.930  -5.695
 1347   1HD2  LEU  33          1HD2      LEU  33 -22.975  -5.254  -7.030
 1348   2HD2  LEU  33          2HD2      LEU  33 -22.666  -4.165  -8.382
 1349   3HD2  LEU  33          3HD2      LEU  33 -21.323  -4.777  -7.418
 1350    H    LEU  34           H        LEU  34 -22.803  -0.084  -5.379
 1351    HA   LEU  34           HA       LEU  34 -22.740  -0.127  -2.586
 1352   1HB   LEU  34          2HB       LEU  34 -21.706   1.584  -4.732
 1353   2HB   LEU  34          3HB       LEU  34 -21.954   2.418  -3.211
 1354    HG   LEU  34           HG       LEU  34 -20.335  -0.109  -3.461
 1355   1HD1  LEU  34          1HD1      LEU  34 -19.380   1.729  -4.821
 1356   2HD1  LEU  34          2HD1      LEU  34 -19.322   2.726  -3.367
 1357   3HD1  LEU  34          3HD1      LEU  34 -18.358   1.254  -3.464
 1358   1HD2  LEU  34          1HD2      LEU  34 -21.222   0.380  -1.235
 1359   2HD2  LEU  34          2HD2      LEU  34 -19.466   0.555  -1.290
 1360   3HD2  LEU  34          3HD2      LEU  34 -20.495   1.987  -1.303
 1361    H    GLN  35           H        GLN  35 -24.263   2.291  -4.723
 1362    HA   GLN  35           HA       GLN  35 -25.444   3.678  -2.540
 1363   1HB   GLN  35          2HB       GLN  35 -25.991   3.830  -5.506
 1364   2HB   GLN  35          3HB       GLN  35 -26.659   4.937  -4.314
 1365   1HG   GLN  35          2HG       GLN  35 -23.709   4.552  -4.488
 1366   2HG   GLN  35          3HG       GLN  35 -24.536   5.581  -5.656
 1367   1HE2  GLN  35          1HE2      GLN  35 -25.687   7.409  -4.876
 1368   2HE2  GLN  35          2HE2      GLN  35 -25.238   8.158  -3.378
 1369    H    GLU  36           H        GLU  36 -26.557   1.182  -4.726
 1370    HA   GLU  36           HA       GLU  36 -29.309   1.467  -4.158
 1371   1HB   GLU  36          2HB       GLU  36 -28.513   0.431  -6.201
 1372   2HB   GLU  36          3HB       GLU  36 -27.706  -0.830  -5.283
 1373   1HG   GLU  36          2HG       GLU  36 -29.529  -2.069  -5.406
 1374   2HG   GLU  36          3HG       GLU  36 -30.424  -0.835  -4.518
 1375    H    ASN  37           H        ASN  37 -26.759  -0.606  -2.853
 1376    HA   ASN  37           HA       ASN  37 -28.666  -1.670  -0.885
 1377   1HB   ASN  37          2HB       ASN  37 -26.101  -2.719  -2.049
 1378   2HB   ASN  37          3HB       ASN  37 -26.713  -3.336  -0.524
 1379   1HD2  ASN  37          1HD2      ASN  37 -26.815  -3.594  -3.854
 1380   2HD2  ASN  37          2HD2      ASN  37 -28.177  -4.649  -3.994
 1381    HA   PRO  38           HA       PRO  38 -26.487   1.135   1.883
 1382   1HB   PRO  38          2HB       PRO  38 -28.018   0.610   4.066
 1383   2HB   PRO  38          3HB       PRO  38 -28.529   1.686   2.761
 1384   1HG   PRO  38          2HG       PRO  38 -29.241  -1.185   3.239
 1385   2HG   PRO  38          3HG       PRO  38 -30.290   0.162   2.757
 1386   1HD   PRO  38          2HD       PRO  38 -29.366  -1.642   0.978
 1387   2HD   PRO  38          3HD       PRO  38 -29.617   0.062   0.548
 1388    H    ASP  39           H        ASP  39 -26.564  -2.201   1.883
 1389    HA   ASP  39           HA       ASP  39 -24.984  -2.424   4.338
 1390   1HB   ASP  39          2HB       ASP  39 -26.789  -4.257   2.880
 1391   2HB   ASP  39          3HB       ASP  39 -25.341  -5.000   3.558
 1392    H    ILE  40           H        ILE  40 -24.704  -2.382   0.958
 1393    HA   ILE  40           HA       ILE  40 -22.244  -3.899   0.873
 1394    HB   ILE  40           HB       ILE  40 -23.615  -2.221  -1.235
 1395   1HG1  ILE  40          2HG1      ILE  40 -23.352  -5.191  -0.744
 1396   2HG1  ILE  40          3HG1      ILE  40 -24.830  -4.238  -0.804
 1397   1HG2  ILE  40          1HG2      ILE  40 -21.096  -2.287  -1.409
 1398   2HG2  ILE  40          2HG2      ILE  40 -21.243  -4.028  -1.659
 1399   3HG2  ILE  40          3HG2      ILE  40 -21.977  -2.906  -2.806
 1400   1HD1  ILE  40          1HD1      ILE  40 -24.056  -3.776  -3.262
 1401   2HD1  ILE  40          2HD1      ILE  40 -23.139  -5.263  -3.019
 1402   3HD1  ILE  40          3HD1      ILE  40 -24.892  -5.268  -2.835
 1403    H    THR  41           H        THR  41 -20.555  -3.057   1.793
 1404    HA   THR  41           HA       THR  41 -20.204  -0.166   1.890
 1405    HB   THR  41           HB       THR  41 -18.744  -2.395   3.324
 1406    HG1  THR  41           HG1      THR  41 -21.061  -1.747   3.843
 1407   1HG2  THR  41          1HG2      THR  41 -17.726   0.077   2.832
 1408   2HG2  THR  41          2HG2      THR  41 -18.573   0.348   4.357
 1409   3HG2  THR  41          3HG2      THR  41 -17.334  -0.904   4.246
 1410    H    LEU  42           H        LEU  42 -18.421   0.910   1.074
 1411    HA   LEU  42           HA       LEU  42 -16.551  -0.684  -0.542
 1412   1HB   LEU  42          2HB       LEU  42 -17.637   1.042  -1.893
 1413   2HB   LEU  42          3HB       LEU  42 -17.227   2.262  -0.702
 1414    HG   LEU  42           HG       LEU  42 -14.764   1.553  -1.234
 1415   1HD1  LEU  42          1HD1      LEU  42 -16.101  -0.170  -2.940
 1416   2HD1  LEU  42          2HD1      LEU  42 -15.528   1.125  -3.993
 1417   3HD1  LEU  42          3HD1      LEU  42 -14.386   0.237  -2.984
 1418   1HD2  LEU  42          1HD2      LEU  42 -16.224   3.680  -1.850
 1419   2HD2  LEU  42          2HD2      LEU  42 -14.597   3.439  -2.490
 1420   3HD2  LEU  42          3HD2      LEU  42 -16.005   3.039  -3.480
 1421    H    ILE  43           H        ILE  43 -14.564  -0.880   0.256
 1422    HA   ILE  43           HA       ILE  43 -13.804   0.868   2.504
 1423    HB   ILE  43           HB       ILE  43 -12.985  -1.944   1.800
 1424   1HG1  ILE  43          2HG1      ILE  43 -13.415  -1.672   4.531
 1425   2HG1  ILE  43          3HG1      ILE  43 -14.622  -0.613   3.804
 1426   1HG2  ILE  43          1HG2      ILE  43 -11.411   0.106   3.243
 1427   2HG2  ILE  43          2HG2      ILE  43 -11.499  -1.487   3.993
 1428   3HG2  ILE  43          3HG2      ILE  43 -10.869  -1.317   2.355
 1429   1HD1  ILE  43          1HD1      ILE  43 -14.226  -3.529   3.169
 1430   2HD1  ILE  43          2HD1      ILE  43 -15.494  -2.853   4.189
 1431   3HD1  ILE  43          3HD1      ILE  43 -15.451  -2.472   2.468
 1432    H    ASP  44           H        ASP  44 -12.401   2.412   2.053
 1433    HA   ASP  44           HA       ASP  44 -10.753   2.130  -0.346
 1434   1HB   ASP  44          2HB       ASP  44 -11.316   4.282  -0.627
 1435   2HB   ASP  44          3HB       ASP  44 -12.064   4.332   0.956
 1436    H    VAL  45           H        VAL  45  -8.699   1.657  -0.232
 1437    HA   VAL  45           HA       VAL  45  -7.413   1.749   2.415
 1438    HB   VAL  45           HB       VAL  45  -6.299  -0.036   0.312
 1439   1HG1  VAL  45          1HG1      VAL  45  -5.586   0.380   2.815
 1440   2HG1  VAL  45          2HG1      VAL  45  -6.842  -0.821   3.129
 1441   3HG1  VAL  45          3HG1      VAL  45  -5.475  -1.224   2.088
 1442   1HG2  VAL  45          1HG2      VAL  45  -8.890  -0.269   0.398
 1443   2HG2  VAL  45          2HG2      VAL  45  -7.881  -1.715   0.456
 1444   3HG2  VAL  45          3HG2      VAL  45  -8.580  -1.067   1.940
 1445    H    ARG  46           H        ARG  46  -6.414   3.654   2.324
 1446    HA   ARG  46           HA       ARG  46  -4.040   3.931   0.771
 1447   1HB   ARG  46          2HB       ARG  46  -6.446   4.889  -0.397
 1448   2HB   ARG  46          3HB       ARG  46  -5.542   6.296   0.141
 1449   1HG   ARG  46          2HG       ARG  46  -3.782   4.471  -1.186
 1450   2HG   ARG  46          3HG       ARG  46  -5.184   4.812  -2.204
 1451   1HD   ARG  46          2HD       ARG  46  -4.803   7.211  -1.921
 1452   2HD   ARG  46          3HD       ARG  46  -3.405   6.870  -0.903
 1453    HE   ARG  46           HE       ARG  46  -3.566   6.646  -3.784
 1454   1HH1  ARG  46          1HH1      ARG  46  -1.737   6.004  -0.875
 1455   2HH1  ARG  46          2HH1      ARG  46  -0.276   5.618  -1.725
 1456   1HH2  ARG  46          1HH2      ARG  46  -1.630   6.187  -4.906
 1457   2HH2  ARG  46          2HH2      ARG  46  -0.201   5.739  -4.021
 1458    H    ASP  47           H        ASP  47  -3.324   6.405   1.070
 1459    HA   ASP  47           HA       ASP  47  -3.646   6.954   3.930
 1460   1HB   ASP  47          2HB       ASP  47  -1.640   8.418   3.591
 1461   2HB   ASP  47          3HB       ASP  47  -1.351   6.715   3.241
 1462    HA   PRO  48           HA       PRO  48  -6.097  10.501   3.254
 1463   1HB   PRO  48          2HB       PRO  48  -5.208  12.207   5.185
 1464   2HB   PRO  48          3HB       PRO  48  -6.218  10.795   5.513
 1465   1HG   PRO  48          2HG       PRO  48  -3.254  11.108   5.787
 1466   2HG   PRO  48          3HG       PRO  48  -4.402  10.307   6.876
 1467   1HD   PRO  48          2HD       PRO  48  -2.840   8.926   5.163
 1468   2HD   PRO  48          3HD       PRO  48  -4.478   8.391   5.592
 1469    H    ASP  49           H        ASP  49  -2.647  10.888   3.049
 1470    HA   ASP  49           HA       ASP  49  -2.745  13.636   2.237
 1471   1HB   ASP  49          2HB       ASP  49  -0.756  12.045   3.205
 1472   2HB   ASP  49          3HB       ASP  49  -0.349  12.108   1.491
 1473    H    GLU  50           H        GLU  50  -2.286  10.535   0.530
 1474    HA   GLU  50           HA       GLU  50  -2.205  11.792  -2.057
 1475   1HB   GLU  50          2HB       GLU  50  -2.104   9.054  -0.979
 1476   2HB   GLU  50          3HB       GLU  50  -2.923   9.189  -2.529
 1477   1HG   GLU  50          2HG       GLU  50  -0.403  10.649  -2.419
 1478   2HG   GLU  50          3HG       GLU  50  -0.229   8.915  -2.158
 1479    H    LEU  51           H        LEU  51  -4.620  10.518   0.105
 1480    HA   LEU  51           HA       LEU  51  -6.823  10.356  -1.657
 1481   1HB   LEU  51          2HB       LEU  51  -6.366  10.103   1.119
 1482   2HB   LEU  51          3HB       LEU  51  -7.601  11.333   0.936
 1483    HG   LEU  51           HG       LEU  51  -8.760   9.576  -0.606
 1484   1HD1  LEU  51          1HD1      LEU  51  -6.516   8.091   0.501
 1485   2HD1  LEU  51          2HD1      LEU  51  -8.075   7.317   0.789
 1486   3HD1  LEU  51          3HD1      LEU  51  -7.574   7.706  -0.856
 1487   1HD2  LEU  51          1HD2      LEU  51  -9.645  10.374   1.530
 1488   2HD2  LEU  51          2HD2      LEU  51  -9.917   8.644   1.329
 1489   3HD2  LEU  51          3HD2      LEU  51  -8.627   9.216   2.385
 1490    H    LYS  52           H        LYS  52  -5.572  12.960   0.357
 1491    HA   LYS  52           HA       LYS  52  -7.486  14.905  -0.292
 1492   1HB   LYS  52          2HB       LYS  52  -5.338  14.789   1.390
 1493   2HB   LYS  52          3HB       LYS  52  -4.759  15.909   0.164
 1494   1HG   LYS  52          2HG       LYS  52  -7.435  16.599   0.880
 1495   2HG   LYS  52          3HG       LYS  52  -6.452  16.443   2.339
 1496   1HD   LYS  52          2HD       LYS  52  -4.754  17.924   1.260
 1497   2HD   LYS  52          3HD       LYS  52  -5.895  18.180  -0.062
 1498   1HE   LYS  52          2HE       LYS  52  -6.338  20.000   1.268
 1499   2HE   LYS  52          3HE       LYS  52  -7.528  18.843   1.861
 1500   1HZ   LYS  52          HZ1       LYS  52  -5.261  18.388   3.353
 1501   2HZ   LYS  52          HZ2       LYS  52  -5.373  20.075   3.245
 1502   3HZ   LYS  52          HZ3       LYS  52  -6.674  19.180   3.863
 1503    H    ALA  53           H        ALA  53  -4.596  13.856  -1.965
 1504    HA   ALA  53           HA       ALA  53  -4.603  16.105  -3.764
 1505   1HB   ALA  53          1HB       ALA  53  -2.704  14.256  -2.919
 1506   2HB   ALA  53          2HB       ALA  53  -2.948  13.908  -4.631
 1507   3HB   ALA  53          3HB       ALA  53  -2.488  15.530  -4.117
 1508    H    MET  54           H        MET  54  -5.552  12.702  -3.911
 1509    HA   MET  54           HA       MET  54  -6.110  12.958  -6.764
 1510   1HB   MET  54          2HB       MET  54  -5.770  10.675  -4.871
 1511   2HB   MET  54          3HB       MET  54  -6.661  10.413  -6.363
 1512   1HG   MET  54          2HG       MET  54  -4.442  11.690  -7.274
 1513   2HG   MET  54          3HG       MET  54  -3.795  10.779  -5.912
 1514   1HE   MET  54          1HE       MET  54  -4.293   8.520  -5.423
 1515   2HE   MET  54          2HE       MET  54  -5.571   7.653  -6.276
 1516   3HE   MET  54          3HE       MET  54  -3.879   7.301  -6.628
 1517    H    GLY  55           H        GLY  55  -7.833  12.928  -3.806
 1518   1HA   GLY  55          1HA       GLY  55 -10.141  13.511  -3.699
 1519   2HA   GLY  55          2HA       GLY  55 -10.349  12.794  -5.286
 1520    H    LYS  56           H        LYS  56 -12.058  12.122  -3.239
 1521    HA   LYS  56           HA       LYS  56 -11.442   9.284  -2.944
 1522   1HB   LYS  56          2HB       LYS  56 -12.290   9.380  -0.558
 1523   2HB   LYS  56          3HB       LYS  56 -10.699  10.073  -0.831
 1524   1HG   LYS  56          2HG       LYS  56 -11.374  12.174  -0.342
 1525   2HG   LYS  56          3HG       LYS  56 -12.995  11.925  -0.997
 1526   1HD   LYS  56          2HD       LYS  56 -13.792  11.019   0.961
 1527   2HD   LYS  56          3HD       LYS  56 -12.199  10.453   1.469
 1528   1HE   LYS  56          2HE       LYS  56 -11.588  12.912   1.726
 1529   2HE   LYS  56          3HE       LYS  56 -13.314  13.244   1.577
 1530   1HZ   LYS  56          HZ1       LYS  56 -12.674  11.187   3.494
 1531   2HZ   LYS  56          HZ2       LYS  56 -12.032  12.705   3.887
 1532   3HZ   LYS  56          HZ3       LYS  56 -13.702  12.527   3.643
 1533    HA   PRO  57           HA       PRO  57 -15.582   8.803  -4.296
 1534   1HB   PRO  57          2HB       PRO  57 -16.243   6.497  -2.908
 1535   2HB   PRO  57          3HB       PRO  57 -15.383   6.552  -4.449
 1536   1HG   PRO  57          2HG       PRO  57 -14.319   6.207  -1.685
 1537   2HG   PRO  57          3HG       PRO  57 -13.766   5.476  -3.202
 1538   1HD   PRO  57          2HD       PRO  57 -12.457   7.520  -2.024
 1539   2HD   PRO  57          3HD       PRO  57 -12.522   7.327  -3.787
 1540    H    ASP  58           H        ASP  58 -17.495   9.594  -3.720
 1541    HA   ASP  58           HA       ASP  58 -18.080   9.872  -0.846
 1542   1HB   ASP  58          2HB       ASP  58 -17.776  12.032  -1.895
 1543   2HB   ASP  58          3HB       ASP  58 -18.897  11.611  -3.184
 1544    H    VAL  59           H        VAL  59 -19.053   7.794  -0.770
 1545    HA   VAL  59           HA       VAL  59 -21.694   7.681  -2.066
 1546    HB   VAL  59           HB       VAL  59 -21.567   5.339  -2.334
 1547   1HG1  VAL  59          1HG1      VAL  59 -20.084   6.878  -3.818
 1548   2HG1  VAL  59          2HG1      VAL  59 -18.748   6.036  -3.029
 1549   3HG1  VAL  59          3HG1      VAL  59 -19.944   5.125  -3.955
 1550   1HG2  VAL  59          1HG2      VAL  59 -20.252   5.157  -0.049
 1551   2HG2  VAL  59          2HG2      VAL  59 -20.185   3.876  -1.259
 1552   3HG2  VAL  59          3HG2      VAL  59 -18.865   5.038  -1.132
 1553    H    LYS  60           H        LYS  60 -23.236   6.220  -0.853
 1554    HA   LYS  60           HA       LYS  60 -23.673   7.326   1.651
 1555   1HB   LYS  60          2HB       LYS  60 -24.809   4.825   0.407
 1556   2HB   LYS  60          3HB       LYS  60 -25.407   5.519   1.907
 1557   1HG   LYS  60          2HG       LYS  60 -26.449   7.230   0.865
 1558   2HG   LYS  60          3HG       LYS  60 -25.238   7.335  -0.416
 1559   1HD   LYS  60          2HD       LYS  60 -26.390   5.971  -1.761
 1560   2HD   LYS  60          3HD       LYS  60 -26.729   4.835  -0.453
 1561   1HE   LYS  60          2HE       LYS  60 -28.201   7.414  -0.988
 1562   2HE   LYS  60          3HE       LYS  60 -28.787   5.793  -1.365
 1563   1HZ   LYS  60          HZ1       LYS  60 -28.497   5.355   1.117
 1564   2HZ   LYS  60          HZ2       LYS  60 -28.403   7.041   1.292
 1565   3HZ   LYS  60          HZ3       LYS  60 -29.799   6.329   0.645
 1566    H    ASN  61           H        ASN  61 -22.445   4.037   0.926
 1567    HA   ASN  61           HA       ASN  61 -21.730   3.854   3.775
 1568   1HB   ASN  61          2HB       ASN  61 -21.733   1.296   2.388
 1569   2HB   ASN  61          3HB       ASN  61 -22.531   1.761   3.882
 1570   1HD2  ASN  61          1HD2      ASN  61 -22.989   0.746   0.777
 1571   2HD2  ASN  61          2HD2      ASN  61 -24.647   1.198   0.577
 1572    H    TYR  62           H        TYR  62 -19.799   5.089   3.025
 1573    HA   TYR  62           HA       TYR  62 -17.772   3.227   1.984
 1574   1HB   TYR  62          HB2       TYR  62 -17.598   4.868   0.406
 1575   2HB   TYR  62          HB3       TYR  62 -18.295   6.095   1.452
 1576    HD1  TYR  62           HD1      TYR  62 -15.174   4.014   1.381
 1577    HD2  TYR  62           HD2      TYR  62 -16.920   7.854   1.929
 1578    HE1  TYR  62           HE1      TYR  62 -12.949   4.961   1.768
 1579    HE2  TYR  62           HE2      TYR  62 -14.694   8.818   2.308
 1580    HH   TYR  62           HH       TYR  62 -11.746   6.874   1.951
 1581    H    LYS  63           H        LYS  63 -16.097   2.759   3.287
 1582    HA   LYS  63           HA       LYS  63 -15.618   4.492   5.598
 1583   1HB   LYS  63          2HB       LYS  63 -15.367   1.548   6.035
 1584   2HB   LYS  63          3HB       LYS  63 -15.756   2.826   7.173
 1585   1HG   LYS  63          2HG       LYS  63 -17.966   3.012   5.910
 1586   2HG   LYS  63          3HG       LYS  63 -17.565   1.425   5.261
 1587   1HD   LYS  63          2HD       LYS  63 -17.145   1.426   8.090
 1588   2HD   LYS  63          3HD       LYS  63 -18.757   2.053   7.745
 1589   1HE   LYS  63          2HE       LYS  63 -17.820  -0.416   6.356
 1590   2HE   LYS  63          3HE       LYS  63 -18.345  -0.524   8.032
 1591   1HZ   LYS  63          HZ1       LYS  63 -20.271   0.958   6.667
 1592   2HZ   LYS  63          HZ2       LYS  63 -19.923  -0.392   5.700
 1593   3HZ   LYS  63          HZ3       LYS  63 -20.421  -0.610   7.304
 1594    H    HIS  64           H        HIS  64 -13.563   5.023   5.817
 1595    HA   HIS  64           HA       HIS  64 -11.597   3.907   4.029
 1596   1HB   HIS  64          2HB       HIS  64 -11.644   6.306   4.388
 1597   2HB   HIS  64          3HB       HIS  64 -11.472   6.091   6.124
 1598    HD1  HIS  64           HD1      HIS  64  -9.212   6.681   6.871
 1599    HD2  HIS  64           HD2      HIS  64  -9.187   4.998   3.064
 1600    HE1  HIS  64           HE1      HIS  64  -6.797   6.655   6.158
 1601    HE2  HIS  64           HE2      HIS  64  -6.787   5.483   3.926
 1602    H    MET  65           H        MET  65 -10.309   2.247   4.512
 1603    HA   MET  65           HA       MET  65  -9.565   1.765   7.316
 1604   1HB   MET  65          2HB       MET  65 -11.368   0.173   5.740
 1605   2HB   MET  65          3HB       MET  65  -9.924  -0.763   6.097
 1606   1HG   MET  65          2HG       MET  65 -11.166  -1.281   7.915
 1607   2HG   MET  65          3HG       MET  65 -10.353   0.160   8.527
 1608   1HE   MET  65          1HE       MET  65 -13.483  -1.506   7.255
 1609   2HE   MET  65          2HE       MET  65 -14.751  -0.285   7.347
 1610   3HE   MET  65          3HE       MET  65 -13.562  -0.226   6.045
 1611    H    SER  66           H        SER  66  -7.409   2.218   7.069
 1612    HA   SER  66           HA       SER  66  -5.873   0.429   5.353
 1613   1HB   SER  66          2HB       SER  66  -5.053   3.262   5.129
 1614   2HB   SER  66          3HB       SER  66  -5.080   1.992   3.905
 1615    HG   SER  66           HG       SER  66  -7.474   2.276   4.035
 1616    H    ARG  67           H        ARG  67  -3.450   1.807   5.530
 1617    HA   ARG  67           HA       ARG  67  -1.592   2.009   6.801
 1618   1HB   ARG  67          2HB       ARG  67  -3.252   3.796   7.840
 1619   2HB   ARG  67          3HB       ARG  67  -3.139   2.737   9.240
 1620   1HG   ARG  67          2HG       ARG  67  -1.271   3.782   9.802
 1621   2HG   ARG  67          3HG       ARG  67  -0.510   3.097   8.365
 1622   1HD   ARG  67          2HD       ARG  67  -1.970   5.246   7.401
 1623   2HD   ARG  67          3HD       ARG  67  -1.304   5.831   8.924
 1624    HE   ARG  67           HE       ARG  67   0.808   4.638   7.659
 1625   1HH1  ARG  67          1HH1      ARG  67  -1.441   7.192   6.829
 1626   2HH1  ARG  67          2HH1      ARG  67  -0.297   8.051   5.829
 1627   1HH2  ARG  67          1HH2      ARG  67   2.302   5.762   6.336
 1628   2HH2  ARG  67          2HH2      ARG  67   1.814   7.236   5.542
 1629    H    GLY  68           H        GLY  68  -3.272   1.358   9.727
 1630   1HA   GLY  68          1HA       GLY  68  -1.541  -0.499  10.687
 1631   2HA   GLY  68          2HA       GLY  68  -3.165  -0.278  11.305
 1632    H    LYS  69           H        LYS  69  -2.901  -1.307   8.066
 1633    HA   LYS  69           HA       LYS  69  -3.191  -3.273   6.975
 1634   1HB   LYS  69          2HB       LYS  69  -3.235  -4.639   9.676
 1635   2HB   LYS  69          3HB       LYS  69  -3.204  -5.437   8.110
 1636   1HG   LYS  69          2HG       LYS  69  -0.992  -4.970   7.756
 1637   2HG   LYS  69          3HG       LYS  69  -1.021  -3.525   8.769
 1638   1HD   LYS  69          2HD       LYS  69  -1.519  -6.115  10.115
 1639   2HD   LYS  69          3HD       LYS  69   0.121  -5.822   9.536
 1640   1HE   LYS  69          2HE       LYS  69   0.497  -4.610  11.360
 1641   2HE   LYS  69          3HE       LYS  69  -0.705  -3.449  10.792
 1642   1HZ   LYS  69          HZ1       LYS  69  -2.198  -5.455  11.871
 1643   2HZ   LYS  69          HZ2       LYS  69  -0.876  -5.352  12.932
 1644   3HZ   LYS  69          HZ3       LYS  69  -1.824  -3.984  12.625
 1645    H    LEU  70           H        LEU  70  -5.038  -1.405   8.432
 1646    HA   LEU  70           HA       LEU  70  -7.186  -0.904   8.514
 1647   1HB   LEU  70          2HB       LEU  70  -8.547  -1.579   6.798
 1648   2HB   LEU  70          3HB       LEU  70  -6.947  -1.864   6.155
 1649    HG   LEU  70           HG       LEU  70  -7.759  -4.292   7.337
 1650   1HD1  LEU  70          1HD1      LEU  70  -9.979  -2.758   6.164
 1651   2HD1  LEU  70          2HD1      LEU  70  -9.805  -4.411   5.577
 1652   3HD1  LEU  70          3HD1      LEU  70 -10.006  -4.105   7.302
 1653   1HD2  LEU  70          1HD2      LEU  70  -6.400  -3.602   5.196
 1654   2HD2  LEU  70          2HD2      LEU  70  -7.257  -5.140   5.258
 1655   3HD2  LEU  70          3HD2      LEU  70  -7.967  -3.771   4.408
 1656    H    GLU  71           H        GLU  71  -6.399  -4.134   9.386
 1657    HA   GLU  71           HA       GLU  71  -8.760  -5.159  10.289
 1658   1HB   GLU  71          2HB       GLU  71  -6.935  -5.927  12.285
 1659   2HB   GLU  71          3HB       GLU  71  -7.420  -6.824  10.854
 1660   1HG   GLU  71          2HG       GLU  71  -5.399  -6.632   9.997
 1661   2HG   GLU  71          3HG       GLU  71  -5.460  -4.875  10.137
 1662    HA   PRO  72           HA       PRO  72  -8.254  -3.057  14.682
 1663   1HB   PRO  72          2HB       PRO  72  -6.985  -0.500  13.908
 1664   2HB   PRO  72          3HB       PRO  72  -6.688  -1.526  15.315
 1665   1HG   PRO  72          2HG       PRO  72  -4.929  -1.386  13.309
 1666   2HG   PRO  72          3HG       PRO  72  -5.233  -2.908  14.169
 1667   1HD   PRO  72          2HD       PRO  72  -6.227  -2.007  11.494
 1668   2HD   PRO  72          3HD       PRO  72  -5.656  -3.610  12.001
 1669    H    LEU  73           H        LEU  73  -8.906  -1.561  11.645
 1670    HA   LEU  73           HA       LEU  73 -11.020   0.096  12.842
 1671   1HB   LEU  73          2HB       LEU  73  -9.089   0.620  10.878
 1672   2HB   LEU  73          3HB       LEU  73 -10.597   0.479  10.001
 1673    HG   LEU  73           HG       LEU  73 -10.171   2.795  10.554
 1674   1HD1  LEU  73          1HD1      LEU  73 -12.501   1.352  11.416
 1675   2HD1  LEU  73          2HD1      LEU  73 -12.239   2.773  12.431
 1676   3HD1  LEU  73          3HD1      LEU  73 -12.374   2.953  10.683
 1677   1HD2  LEU  73          1HD2      LEU  73  -9.263   1.692  13.022
 1678   2HD2  LEU  73          2HD2      LEU  73  -9.110   3.344  12.421
 1679   3HD2  LEU  73          3HD2      LEU  73 -10.531   2.873  13.353
 1680    H    LEU  74           H        LEU  74 -10.398  -2.670  10.925
 1681    HA   LEU  74           HA       LEU  74 -12.793  -2.878   9.445
 1682   1HB   LEU  74          2HB       LEU  74 -10.727  -4.166   9.003
 1683   2HB   LEU  74          3HB       LEU  74 -10.967  -5.051  10.494
 1684    HG   LEU  74           HG       LEU  74 -13.252  -5.725   9.369
 1685   1HD1  LEU  74          1HD1      LEU  74 -12.224  -4.173   7.349
 1686   2HD1  LEU  74          2HD1      LEU  74 -11.819  -5.813   6.842
 1687   3HD1  LEU  74          3HD1      LEU  74 -13.496  -5.383   7.180
 1688   1HD2  LEU  74          1HD2      LEU  74 -10.877  -6.974   9.809
 1689   2HD2  LEU  74          2HD2      LEU  74 -12.311  -7.750   9.134
 1690   3HD2  LEU  74          3HD2      LEU  74 -11.041  -7.153   8.060
 1691    H    ALA  75           H        ALA  75 -11.910  -3.720  12.698
 1692    HA   ALA  75           HA       ALA  75 -14.343  -5.170  13.260
 1693   1HB   ALA  75          1HB       ALA  75 -11.872  -5.111  14.418
 1694   2HB   ALA  75          2HB       ALA  75 -12.846  -4.193  15.563
 1695   3HB   ALA  75          3HB       ALA  75 -13.316  -5.834  15.123
 1696    H    LYS  76           H        LYS  76 -13.281  -1.880  13.394
 1697    HA   LYS  76           HA       LYS  76 -15.294  -1.058  15.297
 1698   1HB   LYS  76          2HB       LYS  76 -13.571   0.739  13.598
 1699   2HB   LYS  76          3HB       LYS  76 -14.378   1.140  15.105
 1700   1HG   LYS  76          2HG       LYS  76 -12.896  -0.532  16.236
 1701   2HG   LYS  76          3HG       LYS  76 -12.003  -0.656  14.716
 1702   1HD   LYS  76          2HD       LYS  76 -10.807   0.920  15.972
 1703   2HD   LYS  76          3HD       LYS  76 -11.770   1.883  14.850
 1704   1HE   LYS  76          2HE       LYS  76 -13.302   2.494  16.530
 1705   2HE   LYS  76          3HE       LYS  76 -12.715   1.250  17.631
 1706   1HZ   LYS  76          HZ1       LYS  76 -10.543   2.508  17.606
 1707   2HZ   LYS  76          HZ2       LYS  76 -11.381   3.777  16.852
 1708   3HZ   LYS  76          HZ3       LYS  76 -11.836   3.265  18.403
 1709    H    SER  77           H        SER  77 -15.457  -1.778  12.082
 1710    HA   SER  77           HA       SER  77 -17.385   0.370  11.554
 1711   1HB   SER  77          2HB       SER  77 -15.759  -1.229   9.572
 1712   2HB   SER  77          3HB       SER  77 -16.810   0.138   9.199
 1713    HG   SER  77           HG       SER  77 -14.305   0.093  10.471
 1714    H    GLY  78           H        GLY  78 -18.172  -2.020  12.900
 1715   1HA   GLY  78          1HA       GLY  78 -19.705  -3.767  12.778
 1716   2HA   GLY  78          2HA       GLY  78 -20.619  -2.480  12.016
 1717    H    LEU  79           H        LEU  79 -18.005  -4.689  10.998
 1718    HA   LEU  79           HA       LEU  79 -19.485  -5.113   8.504
 1719   1HB   LEU  79          2HB       LEU  79 -16.591  -5.498   9.246
 1720   2HB   LEU  79          3HB       LEU  79 -17.272  -6.136   7.760
 1721    HG   LEU  79           HG       LEU  79 -17.321  -3.210   8.492
 1722   1HD1  LEU  79          1HD1      LEU  79 -15.048  -4.586   7.978
 1723   2HD1  LEU  79          2HD1      LEU  79 -15.539  -4.131   6.348
 1724   3HD1  LEU  79          3HD1      LEU  79 -15.298  -2.887   7.575
 1725   1HD2  LEU  79          1HD2      LEU  79 -18.017  -4.774   6.024
 1726   2HD2  LEU  79          2HD2      LEU  79 -19.013  -3.628   6.922
 1727   3HD2  LEU  79          3HD2      LEU  79 -17.646  -3.051   5.971
 1728    H    ASP  80           H        ASP  80 -20.109  -7.112   7.840
 1729    HA   ASP  80           HA       ASP  80 -19.569  -9.367   9.649
 1730   1HB   ASP  80          2HB       ASP  80 -22.157  -8.693   8.222
 1731   2HB   ASP  80          3HB       ASP  80 -21.858 -10.193   9.088
 1732    HA   PRO  81           HA       PRO  81 -18.103 -11.328   5.945
 1733   1HB   PRO  81          2HB       PRO  81 -18.411 -13.937   6.695
 1734   2HB   PRO  81          3HB       PRO  81 -17.096 -12.902   7.270
 1735   1HG   PRO  81          2HG       PRO  81 -19.675 -13.612   8.612
 1736   2HG   PRO  81          3HG       PRO  81 -18.041 -13.532   9.297
 1737   1HD   PRO  81          2HD       PRO  81 -19.823 -11.549   9.652
 1738   2HD   PRO  81          3HD       PRO  81 -18.084 -11.225   9.470
 1739    H    GLU  82           H        GLU  82 -21.274 -11.115   6.731
 1740    HA   GLU  82           HA       GLU  82 -22.130 -12.885   4.557
 1741   1HB   GLU  82          2HB       GLU  82 -24.466 -12.340   5.547
 1742   2HB   GLU  82          3HB       GLU  82 -23.424 -13.487   6.369
 1743   1HG   GLU  82          2HG       GLU  82 -23.966 -12.315   8.185
 1744   2HG   GLU  82          3HG       GLU  82 -22.707 -11.223   7.630
 1745    H    LYS  83           H        LYS  83 -21.367  -9.728   5.227
 1746    HA   LYS  83           HA       LYS  83 -23.359  -8.597   3.420
 1747   1HB   LYS  83          2HB       LYS  83 -21.191  -6.993   4.724
 1748   2HB   LYS  83          3HB       LYS  83 -22.816  -6.499   4.271
 1749   1HG   LYS  83          2HG       LYS  83 -23.632  -8.070   6.093
 1750   2HG   LYS  83          3HG       LYS  83 -21.954  -8.137   6.630
 1751   1HD   LYS  83          2HD       LYS  83 -22.194  -6.208   7.706
 1752   2HD   LYS  83          3HD       LYS  83 -22.683  -5.410   6.209
 1753   1HE   LYS  83          2HE       LYS  83 -24.465  -5.089   7.717
 1754   2HE   LYS  83          3HE       LYS  83 -24.993  -6.356   6.612
 1755   1HZ   LYS  83          HZ1       LYS  83 -23.771  -6.946   9.252
 1756   2HZ   LYS  83          HZ2       LYS  83 -25.443  -6.744   9.036
 1757   3HZ   LYS  83          HZ3       LYS  83 -24.633  -8.004   8.238
 1758    HA   PRO  84           HA       PRO  84 -20.403  -8.675   0.059
 1759   1HB   PRO  84          2HB       PRO  84 -22.134  -6.835  -1.368
 1760   2HB   PRO  84          3HB       PRO  84 -21.828  -8.541  -1.698
 1761   1HG   PRO  84          2HG       PRO  84 -24.221  -7.592  -0.804
 1762   2HG   PRO  84          3HG       PRO  84 -23.635  -9.232  -0.473
 1763   1HD   PRO  84          2HD       PRO  84 -23.609  -6.813   1.292
 1764   2HD   PRO  84          3HD       PRO  84 -23.971  -8.508   1.699
 1765    H    VAL  85           H        VAL  85 -18.605  -7.485   0.056
 1766    HA   VAL  85           HA       VAL  85 -18.853  -4.557   0.267
 1767    HB   VAL  85           HB       VAL  85 -16.721  -4.535   1.542
 1768   1HG1  VAL  85          1HG1      VAL  85 -19.309  -5.324   2.483
 1769   2HG1  VAL  85          2HG1      VAL  85 -18.056  -6.047   3.492
 1770   3HG1  VAL  85          3HG1      VAL  85 -18.103  -4.298   3.263
 1771   1HG2  VAL  85          1HG2      VAL  85 -17.150  -7.513   1.702
 1772   2HG2  VAL  85          2HG2      VAL  85 -15.836  -6.689   0.862
 1773   3HG2  VAL  85          3HG2      VAL  85 -15.954  -6.599   2.619
 1774    H    VAL  86           H        VAL  86 -17.113  -3.347  -0.704
 1775    HA   VAL  86           HA       VAL  86 -15.491  -4.877  -2.613
 1776    HB   VAL  86           HB       VAL  86 -17.156  -4.031  -4.039
 1777   1HG1  VAL  86          1HG1      VAL  86 -17.090  -1.571  -2.333
 1778   2HG1  VAL  86          2HG1      VAL  86 -17.794  -1.549  -3.949
 1779   3HG1  VAL  86          3HG1      VAL  86 -18.451  -2.625  -2.714
 1780   1HG2  VAL  86          1HG2      VAL  86 -14.822  -2.138  -4.011
 1781   2HG2  VAL  86          2HG2      VAL  86 -15.090  -3.536  -5.051
 1782   3HG2  VAL  86          3HG2      VAL  86 -16.071  -2.085  -5.255
 1783    H    VAL  87           H        VAL  87 -13.430  -4.049  -2.961
 1784    HA   VAL  87           HA       VAL  87 -12.621  -1.970  -1.043
 1785    HB   VAL  87           HB       VAL  87 -10.293  -2.869  -1.408
 1786   1HG1  VAL  87          1HG1      VAL  87 -12.432  -3.904   0.158
 1787   2HG1  VAL  87          2HG1      VAL  87 -11.384  -5.241  -0.324
 1788   3HG1  VAL  87          3HG1      VAL  87 -10.708  -3.853   0.531
 1789   1HG2  VAL  87          1HG2      VAL  87 -10.759  -4.001  -3.554
 1790   2HG2  VAL  87          2HG2      VAL  87 -10.015  -5.068  -2.362
 1791   3HG2  VAL  87          3HG2      VAL  87 -11.745  -5.180  -2.688
 1792    H    PHE  88           H        PHE  88 -11.864  -0.077  -1.756
 1793    HA   PHE  88           HA       PHE  88 -11.435   0.183  -4.650
 1794   1HB   PHE  88          2HB       PHE  88 -13.218   1.591  -3.409
 1795   2HB   PHE  88          3HB       PHE  88 -11.847   2.514  -2.800
 1796    HD1  PHE  88           HD1      PHE  88 -12.379   0.989  -6.171
 1797    HD2  PHE  88           HD2      PHE  88 -11.976   4.562  -3.875
 1798    HE1  PHE  88           HE1      PHE  88 -12.288   2.309  -8.230
 1799    HE2  PHE  88           HE2      PHE  88 -11.882   5.874  -5.940
 1800    HZ   PHE  88           HZ       PHE  88 -12.038   4.751  -8.120
 1801    H    CYS  89           H        CYS  89  -9.600   0.693  -5.431
 1802    HA   CYS  89           HA       CYS  89  -7.541   2.269  -4.803
 1803   1HB   CYS  89          2HB       CYS  89  -6.843   1.541  -2.738
 1804   2HB   CYS  89          3HB       CYS  89  -7.561  -0.049  -2.940
 1805    H    LYS  90           H        LYS  90  -5.377   1.364  -5.807
 1806    HA   LYS  90           HA       LYS  90  -5.989   0.249  -8.326
 1807   1HB   LYS  90          2HB       LYS  90  -3.911   1.635  -7.508
 1808   2HB   LYS  90          3HB       LYS  90  -3.238   0.050  -7.153
 1809   1HG   LYS  90          2HG       LYS  90  -2.756  -0.315  -9.290
 1810   2HG   LYS  90          3HG       LYS  90  -4.379   0.145  -9.808
 1811   1HD   LYS  90          2HD       LYS  90  -3.149   2.533  -9.052
 1812   2HD   LYS  90          3HD       LYS  90  -1.911   1.639  -9.936
 1813   1HE   LYS  90          2HE       LYS  90  -2.949   2.709 -11.672
 1814   2HE   LYS  90          3HE       LYS  90  -3.893   1.220 -11.619
 1815   1HZ   LYS  90          HZ1       LYS  90  -4.870   3.346  -9.917
 1816   2HZ   LYS  90          HZ2       LYS  90  -4.953   3.682 -11.575
 1817   3HZ   LYS  90          HZ3       LYS  90  -5.719   2.304 -10.949
 1818    H    THR  91           H        THR  91  -6.420  -1.733  -8.843
 1819    HA   THR  91           HA       THR  91  -7.217  -3.823  -7.780
 1820    HB   THR  91           HB       THR  91  -5.389  -5.252  -9.211
 1821    HG1  THR  91           HG1      THR  91  -5.294  -3.554 -11.108
 1822   1HG2  THR  91          1HG2      THR  91  -7.750  -3.669 -10.236
 1823   2HG2  THR  91          2HG2      THR  91  -6.978  -5.007 -11.090
 1824   3HG2  THR  91          3HG2      THR  91  -7.790  -5.296  -9.552
 1825    H    ALA  92           H        ALA  92  -3.764  -4.418  -8.187
 1826    HA   ALA  92           HA       ALA  92  -3.821  -5.874  -5.643
 1827   1HB   ALA  92          1HB       ALA  92  -3.127  -6.808  -8.030
 1828   2HB   ALA  92          2HB       ALA  92  -1.554  -6.194  -7.523
 1829   3HB   ALA  92          3HB       ALA  92  -2.391  -7.394  -6.538
 1830    H    ALA  93           H        ALA  93  -3.282  -2.904  -6.055
 1831    HA   ALA  93           HA       ALA  93  -0.530  -2.550  -5.299
 1832   1HB   ALA  93          1HB       ALA  93  -2.183  -0.889  -6.482
 1833   2HB   ALA  93          2HB       ALA  93  -2.570  -0.433  -4.823
 1834   3HB   ALA  93          3HB       ALA  93  -0.913  -0.294  -5.412
 1835    H    ARG  94           H        ARG  94  -3.616  -2.725  -3.648
 1836    HA   ARG  94           HA       ARG  94  -2.438  -3.522  -1.201
 1837   1HB   ARG  94          2HB       ARG  94  -2.504  -0.743  -1.525
 1838   2HB   ARG  94          3HB       ARG  94  -3.879  -1.107  -0.492
 1839   1HG   ARG  94          2HG       ARG  94  -1.163  -2.229   0.097
 1840   2HG   ARG  94          3HG       ARG  94  -1.618  -0.603   0.609
 1841   1HD   ARG  94          2HD       ARG  94  -3.013  -1.358   2.211
 1842   2HD   ARG  94          3HD       ARG  94  -3.580  -2.705   1.226
 1843    HE   ARG  94           HE       ARG  94  -0.876  -3.004   2.191
 1844   1HH1  ARG  94          1HH1      ARG  94  -4.271  -3.544   2.870
 1845   2HH1  ARG  94          2HH1      ARG  94  -3.983  -4.821   4.003
 1846   1HH2  ARG  94          1HH2      ARG  94  -0.480  -4.694   3.702
 1847   2HH2  ARG  94          2HH2      ARG  94  -1.820  -5.478   4.474
 1848    H    ALA  95           H        ALA  95  -5.198  -2.383  -3.012
 1849    HA   ALA  95           HA       ALA  95  -7.249  -2.924  -1.200
 1850   1HB   ALA  95          1HB       ALA  95  -7.138  -1.956  -3.737
 1851   2HB   ALA  95          2HB       ALA  95  -7.877  -3.535  -4.003
 1852   3HB   ALA  95          3HB       ALA  95  -8.625  -2.386  -2.892
 1853    H    ALA  96           H        ALA  96  -5.554  -5.061  -3.424
 1854    HA   ALA  96           HA       ALA  96  -7.204  -7.304  -3.256
 1855   1HB   ALA  96          1HB       ALA  96  -4.830  -6.677  -4.511
 1856   2HB   ALA  96          2HB       ALA  96  -4.378  -7.970  -3.399
 1857   3HB   ALA  96          3HB       ALA  96  -5.665  -8.230  -4.580
 1858    H    LEU  97           H        LEU  97  -4.646  -6.166  -1.117
 1859    HA   LEU  97           HA       LEU  97  -4.524  -8.506   0.495
 1860   1HB   LEU  97          2HB       LEU  97  -3.397  -5.814   0.559
 1861   2HB   LEU  97          3HB       LEU  97  -3.795  -6.428   2.157
 1862    HG   LEU  97           HG       LEU  97  -1.430  -6.833   1.391
 1863   1HD1  LEU  97          1HD1      LEU  97  -3.308  -8.692   2.592
 1864   2HD1  LEU  97          2HD1      LEU  97  -1.919  -9.502   1.866
 1865   3HD1  LEU  97          3HD1      LEU  97  -1.673  -8.253   3.087
 1866   1HD2  LEU  97          1HD2      LEU  97  -2.863  -8.087  -0.798
 1867   2HD2  LEU  97          2HD2      LEU  97  -1.169  -7.617  -0.679
 1868   3HD2  LEU  97          3HD2      LEU  97  -1.695  -9.178  -0.052
 1869    H    ALA  98           H        ALA  98  -6.546  -5.667   0.482
 1870    HA   ALA  98           HA       ALA  98  -7.566  -6.026   3.120
 1871   1HB   ALA  98          1HB       ALA  98  -8.033  -4.183   0.868
 1872   2HB   ALA  98          2HB       ALA  98  -9.391  -4.414   1.969
 1873   3HB   ALA  98          3HB       ALA  98  -7.838  -3.851   2.590
 1874    H    GLY  99           H        GLY  99  -8.677  -6.893  -0.107
 1875   1HA   GLY  99          1HA       GLY  99 -11.218  -7.804   0.976
 1876   2HA   GLY  99          2HA       GLY  99 -10.803  -7.648  -0.722
 1877    H    LYS 100           H        LYS 100  -8.471  -9.235  -0.772
 1878    HA   LYS 100           HA       LYS 100  -9.649 -11.740  -1.174
 1879   1HB   LYS 100          2HB       LYS 100  -7.641 -12.400  -2.050
 1880   2HB   LYS 100          3HB       LYS 100  -7.418 -10.656  -2.098
 1881   1HG   LYS 100          2HG       LYS 100  -5.785 -10.689  -0.547
 1882   2HG   LYS 100          3HG       LYS 100  -6.535 -11.994   0.375
 1883   1HD   LYS 100          2HD       LYS 100  -5.398 -12.603  -2.311
 1884   2HD   LYS 100          3HD       LYS 100  -4.295 -12.382  -0.951
 1885   1HE   LYS 100          2HE       LYS 100  -6.640 -14.272  -0.930
 1886   2HE   LYS 100          3HE       LYS 100  -4.996 -14.749  -1.355
 1887   1HZ   LYS 100          HZ1       LYS 100  -5.215 -13.327   1.148
 1888   2HZ   LYS 100          HZ2       LYS 100  -6.015 -14.826   1.131
 1889   3HZ   LYS 100          HZ3       LYS 100  -4.362 -14.739   0.773
 1890    H    THR 101           H        THR 101  -8.242 -10.348   1.636
 1891    HA   THR 101           HA       THR 101  -7.755 -12.732   3.106
 1892    HB   THR 101           HB       THR 101  -8.156 -10.804   4.950
 1893    HG1  THR 101           HG1      THR 101  -7.037  -9.064   3.263
 1894   1HG2  THR 101          1HG2      THR 101  -5.998 -12.111   3.979
 1895   2HG2  THR 101          2HG2      THR 101  -5.639 -10.474   3.427
 1896   3HG2  THR 101          3HG2      THR 101  -5.881 -10.793   5.145
 1897    H    LEU 102           H        LEU 102 -10.253 -10.227   3.189
 1898    HA   LEU 102           HA       LEU 102 -11.826 -11.258   5.176
 1899   1HB   LEU 102          2HB       LEU 102 -12.514  -9.566   2.797
 1900   2HB   LEU 102          3HB       LEU 102 -13.709  -9.984   4.009
 1901    HG   LEU 102           HG       LEU 102 -11.186  -8.390   4.445
 1902   1HD1  LEU 102          1HD1      LEU 102 -14.089  -7.724   4.231
 1903   2HD1  LEU 102          2HD1      LEU 102 -13.029  -6.735   5.236
 1904   3HD1  LEU 102          3HD1      LEU 102 -12.696  -6.916   3.514
 1905   1HD2  LEU 102          1HD2      LEU 102 -13.214  -9.472   6.381
 1906   2HD2  LEU 102          2HD2      LEU 102 -11.460  -9.662   6.405
 1907   3HD2  LEU 102          3HD2      LEU 102 -12.181  -8.091   6.755
 1908    H    ARG 103           H        ARG 103 -12.088 -11.905   1.684
 1909    HA   ARG 103           HA       ARG 103 -14.406 -13.511   1.874
 1910   1HB   ARG 103          2HB       ARG 103 -13.829 -14.299  -0.388
 1911   2HB   ARG 103          3HB       ARG 103 -13.729 -12.551  -0.250
 1912   1HG   ARG 103          2HG       ARG 103 -11.603 -12.547  -0.874
 1913   2HG   ARG 103          3HG       ARG 103 -11.184 -13.786   0.312
 1914   1HD   ARG 103          2HD       ARG 103 -12.228 -14.174  -2.484
 1915   2HD   ARG 103          3HD       ARG 103 -10.669 -14.668  -1.829
 1916    HE   ARG 103           HE       ARG 103 -13.263 -15.881  -1.088
 1917   1HH1  ARG 103          1HH1      ARG 103  -9.805 -16.125  -1.662
 1918   2HH1  ARG 103          2HH1      ARG 103  -9.728 -17.802  -1.204
 1919   1HH2  ARG 103          1HH2      ARG 103 -13.157 -18.096  -0.525
 1920   2HH2  ARG 103          2HH2      ARG 103 -11.627 -18.927  -0.568
 1921    H    GLU 104           H        GLU 104 -11.025 -14.177   2.301
 1922    HA   GLU 104           HA       GLU 104 -11.273 -17.039   2.368
 1923   1HB   GLU 104          2HB       GLU 104  -9.145 -15.099   2.461
 1924   2HB   GLU 104          3HB       GLU 104  -8.951 -16.270   3.758
 1925   1HG   GLU 104          2HG       GLU 104  -8.704 -18.042   2.302
 1926   2HG   GLU 104          3HG       GLU 104  -9.505 -17.198   0.977
 1927    H    TYR 105           H        TYR 105 -12.264 -14.643   4.427
 1928    HA   TYR 105           HA       TYR 105 -11.886 -16.298   6.825
 1929   1HB   TYR 105          HB2       TYR 105 -12.884 -13.446   6.638
 1930   2HB   TYR 105          HB3       TYR 105 -12.580 -14.341   8.125
 1931    HD1  TYR 105           HD1      TYR 105  -9.987 -15.668   6.910
 1932    HD2  TYR 105           HD2      TYR 105 -11.362 -11.658   7.283
 1933    HE1  TYR 105           HE1      TYR 105  -7.663 -14.876   6.881
 1934    HE2  TYR 105           HE2      TYR 105  -9.037 -10.855   7.253
 1935    HH   TYR 105           HH       TYR 105  -6.895 -11.428   6.880
 1936    H    GLY 106           H        GLY 106 -14.075 -15.599   4.401
 1937   1HA   GLY 106          1HA       GLY 106 -15.952 -17.188   4.383
 1938   2HA   GLY 106          2HA       GLY 106 -16.263 -16.713   6.045
 1939    H    PHE 107           H        PHE 107 -15.407 -14.315   3.671
 1940    HA   PHE 107           HA       PHE 107 -17.884 -12.944   4.112
 1941   1HB   PHE 107          2HB       PHE 107 -15.319 -12.352   2.813
 1942   2HB   PHE 107          3HB       PHE 107 -16.711 -11.620   2.020
 1943    HD1  PHE 107           HD1      PHE 107 -15.212 -12.052   5.398
 1944    HD2  PHE 107           HD2      PHE 107 -17.506  -9.594   2.784
 1945    HE1  PHE 107           HE1      PHE 107 -15.233 -10.268   7.095
 1946    HE2  PHE 107           HE2      PHE 107 -17.530  -7.809   4.476
 1947    HZ   PHE 107           HZ       PHE 107 -16.392  -8.142   6.635
 1948    H    LYS 108           H        LYS 108 -19.430 -12.391   2.533
 1949    HA   LYS 108           HA       LYS 108 -20.115 -14.612   0.904
 1950   1HB   LYS 108          2HB       LYS 108 -21.479 -12.518   2.116
 1951   2HB   LYS 108          3HB       LYS 108 -21.679 -12.212   0.396
 1952   1HG   LYS 108          2HG       LYS 108 -22.330 -14.730   0.303
 1953   2HG   LYS 108          3HG       LYS 108 -22.613 -14.521   2.033
 1954   1HD   LYS 108          2HD       LYS 108 -24.162 -12.704   1.579
 1955   2HD   LYS 108          3HD       LYS 108 -23.847 -12.844  -0.152
 1956   1HE   LYS 108          2HE       LYS 108 -24.977 -14.861  -0.323
 1957   2HE   LYS 108          3HE       LYS 108 -24.813 -15.214   1.397
 1958   1HZ   LYS 108          HZ1       LYS 108 -26.500 -13.023   0.315
 1959   2HZ   LYS 108          HZ2       LYS 108 -27.086 -14.570   0.694
 1960   3HZ   LYS 108          HZ3       LYS 108 -26.444 -13.583   1.916
 1961    H    THR 109           H        THR 109 -20.202 -11.236  -0.181
 1962    HA   THR 109           HA       THR 109 -18.858 -12.094  -2.656
 1963    HB   THR 109           HB       THR 109 -20.751  -9.831  -2.849
 1964    HG1  THR 109           HG1      THR 109 -21.564 -12.505  -2.310
 1965   1HG2  THR 109          1HG2      THR 109 -19.694 -12.032  -4.506
 1966   2HG2  THR 109          2HG2      THR 109 -21.364 -11.566  -4.831
 1967   3HG2  THR 109          3HG2      THR 109 -20.076 -10.367  -4.945
 1968    H    ILE 110           H        ILE 110 -16.922 -11.217  -2.640
 1969    HA   ILE 110           HA       ILE 110 -16.633  -8.448  -1.690
 1970    HB   ILE 110           HB       ILE 110 -15.448 -10.378  -0.463
 1971   1HG1  ILE 110          2HG1      ILE 110 -13.396  -8.381  -1.179
 1972   2HG1  ILE 110          3HG1      ILE 110 -14.943  -7.736  -0.631
 1973   1HG2  ILE 110          1HG2      ILE 110 -14.221 -10.607  -3.063
 1974   2HG2  ILE 110          2HG2      ILE 110 -13.015 -10.322  -1.806
 1975   3HG2  ILE 110          3HG2      ILE 110 -14.125 -11.686  -1.670
 1976   1HD1  ILE 110          1HD1      ILE 110 -14.407  -9.736   1.184
 1977   2HD1  ILE 110          2HD1      ILE 110 -12.826  -9.023   0.868
 1978   3HD1  ILE 110          3HD1      ILE 110 -14.155  -8.006   1.426
 1979    H    TYR 111           H        TYR 111 -15.925  -6.922  -3.075
 1980    HA   TYR 111           HA       TYR 111 -15.116  -7.860  -5.745
 1981   1HB   TYR 111          HB2       TYR 111 -16.237  -5.125  -5.153
 1982   2HB   TYR 111          HB3       TYR 111 -16.171  -5.971  -6.693
 1983    HD1  TYR 111           HD1      TYR 111 -17.883  -5.881  -3.407
 1984    HD2  TYR 111           HD2      TYR 111 -17.959  -7.348  -7.401
 1985    HE1  TYR 111           HE1      TYR 111 -20.200  -6.632  -3.080
 1986    HE2  TYR 111           HE2      TYR 111 -20.276  -8.101  -7.083
 1987    HH   TYR 111           HH       TYR 111 -22.223  -7.093  -4.606
 1988    H    ASN 112           H        ASN 112 -13.411  -6.930  -6.794
 1989    HA   ASN 112           HA       ASN 112 -11.770  -5.008  -5.270
 1990   1HB   ASN 112          2HB       ASN 112 -10.714  -7.287  -5.643
 1991   2HB   ASN 112          3HB       ASN 112 -10.759  -6.948  -7.370
 1992   1HD2  ASN 112          1HD2      ASN 112  -8.889  -6.837  -4.662
 1993   2HD2  ASN 112          2HD2      ASN 112  -7.707  -5.679  -5.186
 1994    H    SER 113           H        SER 113 -11.135  -3.177  -6.363
 1995    HA   SER 113           HA       SER 113 -12.729  -2.525  -8.664
 1996   1HB   SER 113          2HB       SER 113 -10.688  -0.824  -7.225
 1997   2HB   SER 113          3HB       SER 113 -11.957  -0.260  -8.313
 1998    HG   SER 113           HG       SER 113 -12.272  -1.479  -5.764
 1999    H    GLU 114           H        GLU 114 -12.095  -3.193 -10.581
 2000    HA   GLU 114           HA       GLU 114  -9.410  -3.794 -11.268
 2001   1HB   GLU 114          2HB       GLU 114 -12.041  -3.947 -12.549
 2002   2HB   GLU 114          3HB       GLU 114 -10.718  -3.673 -13.675
 2003   1HG   GLU 114          2HG       GLU 114 -10.153  -5.745 -11.707
 2004   2HG   GLU 114          3HG       GLU 114 -11.545  -6.102 -12.727
 2005    H    GLY 115           H        GLY 115  -9.801  -0.989 -10.522
 2006   1HA   GLY 115          1HA       GLY 115  -8.440   0.170 -12.841
 2007   2HA   GLY 115          2HA       GLY 115  -9.865   1.002 -12.238
 2008    H    GLY 116           H        GLY 116  -9.814   1.583  -9.899
 2009   1HA   GLY 116          1HA       GLY 116  -8.086   1.772  -8.009
 2010   2HA   GLY 116          2HA       GLY 116  -7.122   2.573  -9.245
 2011    H    MET 117           H        MET 117  -7.367   4.162  -7.280
 2012    HA   MET 117           HA       MET 117  -9.750   5.606  -6.916
 2013   1HB   MET 117          2HB       MET 117  -7.126   5.691  -5.918
 2014   2HB   MET 117          3HB       MET 117  -7.412   7.279  -6.615
 2015   1HG   MET 117          2HG       MET 117  -8.111   7.559  -4.445
 2016   2HG   MET 117          3HG       MET 117  -9.622   7.205  -5.282
 2017   1HE   MET 117          1HE       MET 117  -8.810   7.161  -2.254
 2018   2HE   MET 117          2HE       MET 117 -10.461   6.567  -2.424
 2019   3HE   MET 117          3HE       MET 117  -9.277   5.630  -1.513
 2020    H    ASP 118           H        ASP 118  -7.203   5.839  -9.266
 2021    HA   ASP 118           HA       ASP 118  -7.839   8.365 -10.335
 2022   1HB   ASP 118          2HB       ASP 118  -6.506   7.584 -12.310
 2023   2HB   ASP 118          3HB       ASP 118  -5.667   7.449 -10.773
 2024    H    LYS 119           H        LYS 119  -9.155   5.153 -10.833
 2025    HA   LYS 119           HA       LYS 119 -10.458   5.763 -13.287
 2026   1HB   LYS 119          2HB       LYS 119 -10.149   3.486 -11.516
 2027   2HB   LYS 119          3HB       LYS 119 -11.812   3.644 -12.067
 2028   1HG   LYS 119          2HG       LYS 119 -10.337   2.188 -13.474
 2029   2HG   LYS 119          3HG       LYS 119 -11.186   3.471 -14.335
 2030   1HD   LYS 119          2HD       LYS 119  -8.728   4.562 -13.489
 2031   2HD   LYS 119          3HD       LYS 119  -8.368   2.966 -14.157
 2032   1HE   LYS 119          2HE       LYS 119  -9.661   3.566 -16.181
 2033   2HE   LYS 119          3HE       LYS 119  -9.896   5.182 -15.522
 2034   1HZ   LYS 119          HZ1       LYS 119  -7.153   4.581 -15.460
 2035   2HZ   LYS 119          HZ2       LYS 119  -7.735   4.222 -17.012
 2036   3HZ   LYS 119          HZ3       LYS 119  -7.951   5.776 -16.363
 2037    H    TRP 120           H        TRP 120 -11.304   5.992  -9.887
 2038    HA   TRP 120           HA       TRP 120 -14.088   6.271 -10.155
 2039   1HB   TRP 120          HB2       TRP 120 -12.587   6.085  -8.016
 2040   2HB   TRP 120          HB3       TRP 120 -12.561   7.842  -8.106
 2041    HD1  TRP 120           HD1      TRP 120 -14.653   9.119  -7.288
 2042    HE1  TRP 120           HE1      TRP 120 -16.882   8.435  -6.211
 2043    HE3  TRP 120           HE3      TRP 120 -14.394   4.067  -8.020
 2044    HZ2  TRP 120           HZ2      TRP 120 -18.330   6.068  -5.714
 2045    HZ3  TRP 120           HZ3      TRP 120 -16.243   2.662  -7.203
 2046    HH2  TRP 120           HH2      TRP 120 -18.169   3.645  -6.073
 2047    H    LEU 121           H        LEU 121 -11.523   8.744 -10.087
 2048    HA   LEU 121           HA       LEU 121 -13.273  10.917 -10.617
 2049   1HB   LEU 121          2HB       LEU 121 -10.395  10.475 -10.338
 2050   2HB   LEU 121          3HB       LEU 121 -10.785  11.695 -11.534
 2051    HG   LEU 121           HG       LEU 121 -11.348  11.721  -8.579
 2052   1HD1  LEU 121          1HD1      LEU 121  -9.459  12.933 -10.337
 2053   2HD1  LEU 121          2HD1      LEU 121 -10.466  14.188  -9.615
 2054   3HD1  LEU 121          3HD1      LEU 121  -9.587  13.061  -8.583
 2055   1HD2  LEU 121          1HD2      LEU 121 -13.033  12.784 -10.677
 2056   2HD2  LEU 121          2HD2      LEU 121 -13.299  12.734  -8.935
 2057   3HD2  LEU 121          3HD2      LEU 121 -12.393  14.068  -9.650
 2058    H    GLU 122           H        GLU 122 -11.361   8.745 -12.631
 2059    HA   GLU 122           HA       GLU 122 -11.604  10.210 -15.035
 2060   1HB   GLU 122          2HB       GLU 122 -10.359   7.826 -14.177
 2061   2HB   GLU 122          3HB       GLU 122 -11.354   7.408 -15.566
 2062   1HG   GLU 122          2HG       GLU 122 -10.235   9.541 -16.603
 2063   2HG   GLU 122          3HG       GLU 122  -8.999   9.208 -15.389
 2064    H    GLU 123           H        GLU 123 -13.487   7.485 -13.750
 2065    HA   GLU 123           HA       GLU 123 -15.126   7.368 -16.101
 2066   1HB   GLU 123          2HB       GLU 123 -15.503   5.998 -13.429
 2067   2HB   GLU 123          3HB       GLU 123 -16.337   5.594 -14.925
 2068   1HG   GLU 123          2HG       GLU 123 -14.039   5.152 -15.911
 2069   2HG   GLU 123          3HG       GLU 123 -13.428   5.237 -14.262
 2070    H    GLY 124           H        GLY 124 -15.020   9.686 -13.978
 2071   1HA   GLY 124          1HA       GLY 124 -16.434  11.460 -13.664
 2072   2HA   GLY 124          2HA       GLY 124 -17.604  10.623 -14.672
 2073    H    LEU 125           H        LEU 125 -16.416   8.982 -11.889
 2074    HA   LEU 125           HA       LEU 125 -19.068   8.906 -10.788
 2075   1HB   LEU 125          2HB       LEU 125 -16.451   7.740  -9.851
 2076   2HB   LEU 125          3HB       LEU 125 -17.985   7.472  -9.043
 2077    HG   LEU 125           HG       LEU 125 -17.380   6.672 -11.891
 2078   1HD1  LEU 125          1HD1      LEU 125 -16.833   5.400  -9.343
 2079   2HD1  LEU 125          2HD1      LEU 125 -17.840   4.404 -10.398
 2080   3HD1  LEU 125          3HD1      LEU 125 -16.271   4.982 -10.964
 2081   1HD2  LEU 125          1HD2      LEU 125 -19.827   7.073 -10.599
 2082   2HD2  LEU 125          2HD2      LEU 125 -19.546   6.232 -12.123
 2083   3HD2  LEU 125          3HD2      LEU 125 -19.579   5.326 -10.610
 2084    HA   PRO 126           HA       PRO 126 -18.902  12.104  -7.787
 2085   1HB   PRO 126          2HB       PRO 126 -19.994  10.944  -5.576
 2086   2HB   PRO 126          3HB       PRO 126 -20.945  11.422  -6.989
 2087   1HG   PRO 126          2HG       PRO 126 -19.836   8.721  -6.284
 2088   2HG   PRO 126          3HG       PRO 126 -21.473   9.149  -6.839
 2089   1HD   PRO 126          2HD       PRO 126 -19.672   8.152  -8.536
 2090   2HD   PRO 126          3HD       PRO 126 -20.776   9.449  -9.042
 2091    H    SER 127           H        SER 127 -16.869  12.639  -7.222
 2092    HA   SER 127           HA       SER 127 -15.722  11.200  -4.938
 2093   1HB   SER 127          2HB       SER 127 -13.767  12.625  -6.593
 2094   2HB   SER 127          3HB       SER 127 -13.698  10.994  -5.926
 2095    HG   SER 127           HG       SER 127 -15.531  11.188  -7.924
 2096    H    LEU 128           H        LEU 128 -14.662  12.564  -3.401
 2097    HA   LEU 128           HA       LEU 128 -15.812  15.194  -3.257
 2098   1HB   LEU 128          2HB       LEU 128 -14.137  13.474  -1.505
 2099   2HB   LEU 128          3HB       LEU 128 -14.049  15.206  -1.243
 2100    HG   LEU 128           HG       LEU 128 -16.797  14.277  -1.446
 2101   1HD1  LEU 128          1HD1      LEU 128 -15.080  13.148   0.755
 2102   2HD1  LEU 128          2HD1      LEU 128 -16.843  13.112   0.708
 2103   3HD1  LEU 128          3HD1      LEU 128 -15.910  12.232  -0.502
 2104   1HD2  LEU 128          1HD2      LEU 128 -16.094  16.473  -0.616
 2105   2HD2  LEU 128          2HD2      LEU 128 -17.021  15.580   0.590
 2106   3HD2  LEU 128          3HD2      LEU 128 -15.266  15.692   0.731
 2107    H    ASP 129           H        ASP 129 -15.047  16.548  -4.743
 2108    HA   ASP 129           HA       ASP 129 -12.159  17.075  -4.778
 2109   1HB   ASP 129          2HB       ASP 129 -12.372  15.821  -6.740
 2110   2HB   ASP 129          3HB       ASP 129 -13.981  16.441  -7.081
 2111    H    ARG 130           H        ARG 130 -12.371  18.905  -3.604
 2112    HA   ARG 130           HA       ARG 130 -12.821  21.052  -3.042
 2113   1HB   ARG 130          2HB       ARG 130 -12.926  21.409  -6.039
 2114   2HB   ARG 130          3HB       ARG 130 -12.686  22.688  -4.854
 2115   1HG   ARG 130          2HG       ARG 130 -10.540  22.004  -4.352
 2116   2HG   ARG 130          3HG       ARG 130 -10.820  20.360  -4.930
 2117   1HD   ARG 130          2HD       ARG 130 -11.187  22.316  -7.026
 2118   2HD   ARG 130          3HD       ARG 130  -9.580  22.425  -6.307
 2119    HE   ARG 130           HE       ARG 130 -10.723  19.986  -7.531
 2120   1HH1  ARG 130          1HH1      ARG 130  -7.968  21.887  -6.490
 2121   2HH1  ARG 130          2HH1      ARG 130  -6.816  20.916  -7.366
 2122   1HH2  ARG 130          1HH2      ARG 130  -9.201  18.715  -8.683
 2123   2HH2  ARG 130          2HH2      ARG 130  -7.509  19.123  -8.591
 2124    H    SER 131           H        SER 131 -14.726  21.394  -5.974
 2125    HA   SER 131           HA       SER 131 -16.883  21.927  -6.358
 2126   1HB   SER 131          2HB       SER 131 -17.665  20.563  -3.786
 2127   2HB   SER 131          3HB       SER 131 -18.566  20.665  -5.301
 2128    HG   SER 131           HG       SER 131 -16.074  19.448  -5.429
 2129    H    HIS 132           H        HIS 132 -18.045  21.981  -3.157
 2130    HA   HIS 132           HA       HIS 132 -17.155  24.527  -2.342
 2131   1HB   HIS 132          2HB       HIS 132 -19.313  24.576  -4.227
 2132   2HB   HIS 132          3HB       HIS 132 -19.927  25.093  -2.661
 2133    HD1  HIS 132           HD1      HIS 132 -16.785  25.863  -4.677
 2134    HD2  HIS 132           HD2      HIS 132 -19.725  27.774  -2.444
 2135    HE1  HIS 132           HE1      HIS 132 -16.223  28.312  -4.776
 2136    HE2  HIS 132           HE2      HIS 132 -17.898  29.422  -3.258
 2137    H    HIS 133           H        HIS 133 -20.517  24.069  -1.850
 2138    HA   HIS 133           HA       HIS 133 -20.119  22.361   0.474
 2139   1HB   HIS 133          2HB       HIS 133 -20.661  25.238   0.620
 2140   2HB   HIS 133          3HB       HIS 133 -21.834  24.264   1.504
 2141    HD1  HIS 133           HD1      HIS 133 -18.275  25.358   1.542
 2142    HD2  HIS 133           HD2      HIS 133 -20.782  22.848   3.710
 2143    HE1  HIS 133           HE1      HIS 133 -17.011  24.783   3.640
 2144    HE2  HIS 133           HE2      HIS 133 -18.480  23.126   4.852
 2145    H    HIS 134           H        HIS 134 -22.138  21.468   1.281
 2146    HA   HIS 134           HA       HIS 134 -24.237  21.542  -0.790
 2147   1HB   HIS 134          2HB       HIS 134 -22.885  19.346  -0.162
 2148   2HB   HIS 134          3HB       HIS 134 -24.056  19.279   1.152
 2149    HD1  HIS 134           HD1      HIS 134 -25.949  17.800   0.566
 2150    HD2  HIS 134           HD2      HIS 134 -24.490  19.835  -2.758
 2151    HE1  HIS 134           HE1      HIS 134 -27.401  17.088  -1.359
 2152    HE2  HIS 134           HE2      HIS 134 -26.393  18.195  -3.388
 2153    H    HIS 135           H        HIS 135 -23.723  23.126   1.775
 2154    HA   HIS 135           HA       HIS 135 -26.465  22.869   2.790
 2155   1HB   HIS 135          2HB       HIS 135 -24.283  22.112   4.288
 2156   2HB   HIS 135          3HB       HIS 135 -24.521  23.780   4.795
 2157    HD1  HIS 135           HD1      HIS 135 -26.605  24.309   6.219
 2158    HD2  HIS 135           HD2      HIS 135 -26.371  20.347   4.952
 2159    HE1  HIS 135           HE1      HIS 135 -28.342  23.062   7.545
 2160    HE2  HIS 135           HE2      HIS 135 -28.095  20.646   6.856
 2161    H    HIS 136           H        HIS 136 -27.099  24.632   1.557
 2162    HA   HIS 136           HA       HIS 136 -25.732  27.178   2.015
 2163   1HB   HIS 136          2HB       HIS 136 -26.855  26.173  -0.256
 2164   2HB   HIS 136          3HB       HIS 136 -28.183  27.150   0.364
 2165    HD1  HIS 136           HD1      HIS 136 -26.571  27.824  -2.255
 2166    HD2  HIS 136           HD2      HIS 136 -25.927  29.506   1.497
 2167    HE1  HIS 136           HE1      HIS 136 -25.459  30.041  -2.683
 2168    HE2  HIS 136           HE2      HIS 136 -25.256  31.121  -0.410
 2169    H    HIS 137           H        HIS 137 -26.921  26.031   4.211
 2170    HA   HIS 137           HA       HIS 137 -28.691  28.128   5.056
 2171   1HB   HIS 137          2HB       HIS 137 -30.110  26.223   3.942
 2172   2HB   HIS 137          3HB       HIS 137 -29.735  25.325   5.408
 2173    HD1  HIS 137           HD1      HIS 137 -30.032  27.707   7.417
 2174    HD2  HIS 137           HD2      HIS 137 -32.771  26.711   4.449
 2175    HE1  HIS 137           HE1      HIS 137 -32.241  28.632   8.194
 2176    HE2  HIS 137           HE2      HIS 137 -33.916  27.820   6.496
  Start of MODEL    3
    1   1H    ALA   1           H1       ALA   1 -23.079 -11.701  11.536
    2   2H    ALA   1           H2       ALA   1 -23.437 -12.174  13.131
    3   3H    ALA   1           H3       ALA   1 -24.654 -12.183  11.949
    4    HA   ALA   1           HA       ALA   1 -24.143  -9.699  11.715
    5   1HB   ALA   1          1HB       ALA   1 -25.842 -11.177  13.572
    6   2HB   ALA   1          2HB       ALA   1 -25.528  -9.512  14.066
    7   3HB   ALA   1          3HB       ALA   1 -26.234  -9.845  12.483
    8    H    ASP   2           H        ASP   2 -21.943 -11.284  13.385
    9    HA   ASP   2           HA       ASP   2 -20.687  -8.968  14.412
   10   1HB   ASP   2          2HB       ASP   2 -22.476  -9.541  16.173
   11   2HB   ASP   2          3HB       ASP   2 -21.455 -10.917  16.569
   12    H    MET   3           H        MET   3 -20.046 -11.017  12.620
   13    HA   MET   3           HA       MET   3 -18.264 -12.840  14.036
   14   1HB   MET   3          2HB       MET   3 -19.187 -12.594  11.188
   15   2HB   MET   3          3HB       MET   3 -17.809 -13.606  11.600
   16   1HG   MET   3          2HG       MET   3 -19.436 -15.167  11.725
   17   2HG   MET   3          3HG       MET   3 -19.522 -14.562  13.380
   18   1HE   MET   3          1HE       MET   3 -21.038 -15.612  10.504
   19   2HE   MET   3          2HE       MET   3 -22.756 -15.323  10.768
   20   3HE   MET   3          3HE       MET   3 -21.819 -14.211   9.771
   21    H    GLY   4           H        GLY   4 -17.986  -9.766  13.345
   22   1HA   GLY   4          1HA       GLY   4 -15.695  -9.429  11.776
   23   2HA   GLY   4          2HA       GLY   4 -16.244  -8.313  13.017
   24    H    GLU   5           H        GLU   5 -16.026 -10.050  15.200
   25    HA   GLU   5           HA       GLU   5 -13.307  -9.728  15.923
   26   1HB   GLU   5          2HB       GLU   5 -15.727 -10.808  17.150
   27   2HB   GLU   5          3HB       GLU   5 -14.279 -11.684  17.626
   28   1HG   GLU   5          2HG       GLU   5 -13.863  -8.833  17.718
   29   2HG   GLU   5          3HG       GLU   5 -15.242  -9.317  18.703
   30    H    LYS   6           H        LYS   6 -15.167 -12.434  14.757
   31    HA   LYS   6           HA       LYS   6 -13.357 -14.487  15.195
   32   1HB   LYS   6          2HB       LYS   6 -15.350 -14.327  12.931
   33   2HB   LYS   6          3HB       LYS   6 -14.633 -15.790  13.590
   34   1HG   LYS   6          2HG       LYS   6 -16.480 -13.910  15.049
   35   2HG   LYS   6          3HG       LYS   6 -16.909 -15.486  14.385
   36   1HD   LYS   6          2HD       LYS   6 -15.368 -16.579  15.911
   37   2HD   LYS   6          3HD       LYS   6 -14.841 -15.012  16.532
   38   1HE   LYS   6          2HE       LYS   6 -17.727 -15.358  16.646
   39   2HE   LYS   6          3HE       LYS   6 -16.860 -16.587  17.566
   40   1HZ   LYS   6          HZ1       LYS   6 -15.558 -14.455  18.387
   41   2HZ   LYS   6          HZ2       LYS   6 -17.033 -13.705  18.009
   42   3HZ   LYS   6          HZ3       LYS   6 -16.991 -14.974  19.133
   43    H    PHE   7           H        PHE   7 -13.855 -12.741  12.077
   44    HA   PHE   7           HA       PHE   7 -11.574 -14.095  10.986
   45   1HB   PHE   7          2HB       PHE   7 -11.930 -12.594   8.990
   46   2HB   PHE   7          3HB       PHE   7 -13.259 -13.661   9.407
   47    HD1  PHE   7           HD1      PHE   7 -12.123 -10.185  10.194
   48    HD2  PHE   7           HD2      PHE   7 -15.355 -12.780   9.245
   49    HE1  PHE   7           HE1      PHE   7 -13.646  -8.258  10.131
   50    HE2  PHE   7           HE2      PHE   7 -16.885 -10.856   9.188
   51    HZ   PHE   7           HZ       PHE   7 -16.031  -8.590   9.628
   52    H    ASP   8           H        ASP   8 -12.059 -11.144  12.641
   53    HA   ASP   8           HA       ASP   8  -9.997  -9.523  11.743
   54   1HB   ASP   8          2HB       ASP   8 -11.691  -8.832  13.404
   55   2HB   ASP   8          3HB       ASP   8 -10.930  -9.868  14.605
   56    H    ALA   9           H        ALA   9  -9.880 -12.080  14.204
   57    HA   ALA   9           HA       ALA   9  -7.130 -11.799  14.811
   58   1HB   ALA   9          1HB       ALA   9  -9.162 -13.956  15.238
   59   2HB   ALA   9          2HB       ALA   9  -7.460 -14.239  15.609
   60   3HB   ALA   9          3HB       ALA   9  -8.339 -12.945  16.428
   61    H    THR  10           H        THR  10  -8.911 -13.837  12.520
   62    HA   THR  10           HA       THR  10  -6.752 -15.399  11.660
   63    HB   THR  10           HB       THR  10  -8.707 -14.768   9.565
   64    HG1  THR  10           HG1      THR  10 -10.491 -15.429  10.667
   65   1HG2  THR  10          1HG2      THR  10  -7.092 -16.771   9.824
   66   2HG2  THR  10          2HG2      THR  10  -8.296 -17.398  10.949
   67   3HG2  THR  10          3HG2      THR  10  -8.734 -17.082   9.270
   68    H    PHE  11           H        PHE  11  -7.971 -12.280  10.490
   69    HA   PHE  11           HA       PHE  11  -6.313 -11.997   8.250
   70   1HB   PHE  11          2HB       PHE  11  -8.288 -10.504   9.276
   71   2HB   PHE  11          3HB       PHE  11  -6.921  -9.583   9.890
   72    HD1  PHE  11           HD1      PHE  11  -5.011  -9.312   7.928
   73    HD2  PHE  11           HD2      PHE  11  -9.211  -9.675   7.365
   74    HE1  PHE  11           HE1      PHE  11  -4.818  -8.155   5.767
   75    HE2  PHE  11           HE2      PHE  11  -9.026  -8.525   5.202
   76    HZ   PHE  11           HZ       PHE  11  -6.828  -7.761   4.400
   77    H    LYS  12           H        LYS  12  -5.831 -11.057  11.620
   78    HA   LYS  12           HA       LYS  12  -3.265  -9.917  11.277
   79   1HB   LYS  12          2HB       LYS  12  -4.897  -9.656  13.238
   80   2HB   LYS  12          3HB       LYS  12  -4.264 -11.190  13.817
   81   1HG   LYS  12          2HG       LYS  12  -3.196  -9.264  14.889
   82   2HG   LYS  12          3HG       LYS  12  -2.046 -10.258  13.992
   83   1HD   LYS  12          2HD       LYS  12  -1.451  -8.524  12.735
   84   2HD   LYS  12          3HD       LYS  12  -3.131  -8.220  12.282
   85   1HE   LYS  12          2HE       LYS  12  -3.389  -6.590  13.829
   86   2HE   LYS  12          3HE       LYS  12  -2.352  -7.398  15.005
   87   1HZ   LYS  12          HZ1       LYS  12  -1.319  -6.032  12.578
   88   2HZ   LYS  12          HZ2       LYS  12  -1.455  -5.277  14.097
   89   3HZ   LYS  12          HZ3       LYS  12  -0.427  -6.613  13.904
   90    H    ALA  13           H        ALA  13  -4.356 -13.204  11.656
   91    HA   ALA  13           HA       ALA  13  -1.826 -14.278  12.462
   92   1HB   ALA  13          1HB       ALA  13  -4.438 -15.427  11.598
   93   2HB   ALA  13          2HB       ALA  13  -3.011 -16.462  11.653
   94   3HB   ALA  13          3HB       ALA  13  -3.561 -15.639  13.114
   95    H    GLN  14           H        GLN  14  -3.538 -13.921   9.417
   96    HA   GLN  14           HA       GLN  14  -1.593 -15.352   7.868
   97   1HB   GLN  14          2HB       GLN  14  -4.031 -13.765   7.291
   98   2HB   GLN  14          3HB       GLN  14  -2.839 -13.876   6.001
   99   1HG   GLN  14          2HG       GLN  14  -2.974 -16.452   6.732
  100   2HG   GLN  14          3HG       GLN  14  -4.610 -15.936   7.131
  101   1HE2  GLN  14          1HE2      GLN  14  -5.791 -14.790   5.410
  102   2HE2  GLN  14          2HE2      GLN  14  -5.545 -15.296   3.774
  103    H    VAL  15           H        VAL  15  -2.360 -11.928   8.336
  104    HA   VAL  15           HA       VAL  15  -0.356 -10.935   6.648
  105    HB   VAL  15           HB       VAL  15  -2.184  -9.799   8.665
  106   1HG1  VAL  15          1HG1      VAL  15   0.523  -8.697   8.282
  107   2HG1  VAL  15          2HG1      VAL  15  -0.807  -7.543   8.170
  108   3HG1  VAL  15          3HG1      VAL  15  -0.603  -8.515   9.627
  109   1HG2  VAL  15          1HG2      VAL  15  -2.389  -9.943   6.088
  110   2HG2  VAL  15          2HG2      VAL  15  -2.886  -8.461   6.902
  111   3HG2  VAL  15          3HG2      VAL  15  -1.324  -8.536   6.088
  112    H    LYS  16           H        LYS  16  -0.252 -11.830  10.061
  113    HA   LYS  16           HA       LYS  16   2.235 -10.596  10.644
  114   1HB   LYS  16          2HB       LYS  16   0.449 -12.527  11.968
  115   2HB   LYS  16          3HB       LYS  16   2.148 -12.682  12.392
  116   1HG   LYS  16          2HG       LYS  16   1.975 -10.082  12.713
  117   2HG   LYS  16          3HG       LYS  16   0.258 -10.446  12.904
  118   1HD   LYS  16          2HD       LYS  16   0.581 -11.243  14.959
  119   2HD   LYS  16          3HD       LYS  16   1.890 -12.294  14.412
  120   1HE   LYS  16          2HE       LYS  16   3.257 -10.068  14.369
  121   2HE   LYS  16          3HE       LYS  16   2.005  -9.507  15.475
  122   1HZ   LYS  16          HZ1       LYS  16   3.265 -12.087  16.037
  123   2HZ   LYS  16          HZ2       LYS  16   4.179 -10.687  16.327
  124   3HZ   LYS  16          HZ3       LYS  16   2.687 -10.906  17.110
  125    H    ALA  17           H        ALA  17   1.364 -13.652   9.200
  126    HA   ALA  17           HA       ALA  17   3.831 -14.986   9.466
  127   1HB   ALA  17          1HB       ALA  17   1.780 -16.132   8.804
  128   2HB   ALA  17          2HB       ALA  17   1.768 -15.242   7.281
  129   3HB   ALA  17          3HB       ALA  17   3.062 -16.393   7.620
  130    H    ALA  18           H        ALA  18   2.776 -12.432   7.410
  131    HA   ALA  18           HA       ALA  18   4.741 -12.718   5.372
  132   1HB   ALA  18          1HB       ALA  18   2.514 -11.008   5.914
  133   2HB   ALA  18          2HB       ALA  18   3.908 -10.042   5.435
  134   3HB   ALA  18          3HB       ALA  18   3.327 -11.335   4.386
  135    H    LYS  19           H        LYS  19   4.714 -11.110   8.502
  136    HA   LYS  19           HA       LYS  19   7.143  -9.635   7.975
  137   1HB   LYS  19          2HB       LYS  19   6.914  -8.722  10.084
  138   2HB   LYS  19          3HB       LYS  19   5.240  -9.027   9.647
  139   1HG   LYS  19          2HG       LYS  19   4.950 -10.458  11.333
  140   2HG   LYS  19          3HG       LYS  19   6.484 -11.274  11.025
  141   1HD   LYS  19          2HD       LYS  19   6.956  -8.638  12.065
  142   2HD   LYS  19          3HD       LYS  19   5.862  -9.524  13.130
  143   1HE   LYS  19          2HE       LYS  19   7.418 -11.177  13.570
  144   2HE   LYS  19          3HE       LYS  19   8.331 -10.852  12.099
  145   1HZ   LYS  19          HZ1       LYS  19   8.532  -8.530  13.497
  146   2HZ   LYS  19          HZ2       LYS  19   8.611  -9.702  14.714
  147   3HZ   LYS  19          HZ3       LYS  19   9.713  -9.745  13.429
  148    H    ALA  20           H        ALA  20   6.199 -12.729   9.006
  149    HA   ALA  20           HA       ALA  20   8.672 -13.373  10.369
  150   1HB   ALA  20          1HB       ALA  20   6.102 -14.407  10.437
  151   2HB   ALA  20          2HB       ALA  20   7.054 -15.670   9.655
  152   3HB   ALA  20          3HB       ALA  20   7.523 -15.067  11.245
  153    H    ASP  21           H        ASP  21   7.459 -13.471   7.185
  154    HA   ASP  21           HA       ASP  21   8.832 -15.667   6.138
  155   1HB   ASP  21          2HB       ASP  21   6.926 -14.085   5.187
  156   2HB   ASP  21          3HB       ASP  21   8.297 -13.299   4.411
  157    H    MET  22           H        MET  22   9.983 -12.508   6.927
  158    HA   MET  22           HA       MET  22  12.581 -13.201   5.755
  159   1HB   MET  22          2HB       MET  22  12.861 -10.964   4.866
  160   2HB   MET  22          3HB       MET  22  11.402 -11.688   4.204
  161   1HG   MET  22          2HG       MET  22  10.731 -10.282   6.586
  162   2HG   MET  22          3HG       MET  22  11.686  -9.229   5.544
  163   1HE   MET  22          1HE       MET  22  11.240  -8.323   3.661
  164   2HE   MET  22          2HE       MET  22  10.449  -9.260   2.393
  165   3HE   MET  22          3HE       MET  22   9.614  -7.894   3.131
  166    H    VAL  23           H        VAL  23  14.116 -11.155   6.418
  167    HA   VAL  23           HA       VAL  23  14.239 -11.346   9.308
  168    HB   VAL  23           HB       VAL  23  16.157 -10.031   7.371
  169   1HG1  VAL  23          1HG1      VAL  23  16.493 -10.760  10.279
  170   2HG1  VAL  23          2HG1      VAL  23  17.772 -10.159   9.225
  171   3HG1  VAL  23          3HG1      VAL  23  16.392  -9.131   9.611
  172   1HG2  VAL  23          1HG2      VAL  23  15.626 -12.729   7.662
  173   2HG2  VAL  23          2HG2      VAL  23  17.079 -12.018   6.957
  174   3HG2  VAL  23          3HG2      VAL  23  17.054 -12.469   8.663
  175    H    MET  24           H        MET  24  13.174  -9.925  10.494
  176    HA   MET  24           HA       MET  24  12.453  -7.325   9.464
  177   1HB   MET  24          2HB       MET  24  11.956  -8.701  12.104
  178   2HB   MET  24          3HB       MET  24  11.437  -7.052  11.779
  179   1HG   MET  24          2HG       MET  24  10.551  -8.642   9.625
  180   2HG   MET  24          3HG       MET  24  10.155  -9.500  11.112
  181   1HE   MET  24          1HE       MET  24  10.273  -6.237   9.360
  182   2HE   MET  24          2HE       MET  24   8.647  -6.556   8.755
  183   3HE   MET  24          3HE       MET  24   8.911  -5.284   9.949
  184    H    LEU  25           H        LEU  25  13.831  -5.693   9.474
  185    HA   LEU  25           HA       LEU  25  15.751  -5.478  11.700
  186   1HB   LEU  25          2HB       LEU  25  16.079  -5.369   8.789
  187   2HB   LEU  25          3HB       LEU  25  16.839  -4.035   9.631
  188    HG   LEU  25           HG       LEU  25  17.582  -6.891   9.546
  189   1HD1  LEU  25          1HD1      LEU  25  18.702  -4.474   8.841
  190   2HD1  LEU  25          2HD1      LEU  25  19.564  -4.918  10.315
  191   3HD1  LEU  25          3HD1      LEU  25  19.537  -6.025   8.941
  192   1HD2  LEU  25          1HD2      LEU  25  16.938  -6.640  11.904
  193   2HD2  LEU  25          2HD2      LEU  25  18.678  -6.852  11.708
  194   3HD2  LEU  25          3HD2      LEU  25  18.017  -5.251  12.039
  195    H    SER  26           H        SER  26  16.092  -3.493  12.597
  196    HA   SER  26           HA       SER  26  14.025  -1.524  12.276
  197   1HB   SER  26          2HB       SER  26  16.591  -1.090  13.798
  198   2HB   SER  26          3HB       SER  26  14.992  -0.421  14.124
  199    HG   SER  26           HG       SER  26  15.794  -3.140  14.416
  200    HA   PRO  27           HA       PRO  27  15.390   0.881   8.898
  201   1HB   PRO  27          2HB       PRO  27  15.211   3.380  10.278
  202   2HB   PRO  27          3HB       PRO  27  14.050   2.664   9.160
  203   1HG   PRO  27          2HG       PRO  27  14.106   2.606  12.124
  204   2HG   PRO  27          3HG       PRO  27  12.719   2.552  11.022
  205   1HD   PRO  27          2HD       PRO  27  13.490   0.364  12.319
  206   2HD   PRO  27          3HD       PRO  27  12.983   0.262  10.621
  207    H    LYS  28           H        LYS  28  16.900   1.720  12.033
  208    HA   LYS  28           HA       LYS  28  19.096   3.089  10.818
  209   1HB   LYS  28          2HB       LYS  28  20.050   2.607  13.239
  210   2HB   LYS  28          3HB       LYS  28  18.836   3.844  12.954
  211   1HG   LYS  28          2HG       LYS  28  17.232   2.720  14.077
  212   2HG   LYS  28          3HG       LYS  28  17.827   1.140  13.563
  213   1HD   LYS  28          2HD       LYS  28  19.135   0.912  15.374
  214   2HD   LYS  28          3HD       LYS  28  19.653   2.598  15.327
  215   1HE   LYS  28          2HE       LYS  28  17.203   3.050  16.133
  216   2HE   LYS  28          3HE       LYS  28  17.287   1.372  16.668
  217   1HZ   LYS  28          HZ1       LYS  28  19.325   3.397  17.404
  218   2HZ   LYS  28          HZ2       LYS  28  17.948   3.090  18.348
  219   3HZ   LYS  28          HZ3       LYS  28  19.088   1.863  18.083
  220    H    ASP  29           H        ASP  29  18.561  -0.126  12.121
  221    HA   ASP  29           HA       ASP  29  21.208  -1.118  11.799
  222   1HB   ASP  29          2HB       ASP  29  18.574  -2.189  12.505
  223   2HB   ASP  29          3HB       ASP  29  19.546  -3.318  11.567
  224    H    ALA  30           H        ALA  30  18.454  -0.759   9.754
  225    HA   ALA  30           HA       ALA  30  19.383  -2.439   7.627
  226   1HB   ALA  30          1HB       ALA  30  16.968  -1.773   8.077
  227   2HB   ALA  30          2HB       ALA  30  17.375  -0.223   7.341
  228   3HB   ALA  30          3HB       ALA  30  17.514  -1.708   6.399
  229    H    TYR  31           H        TYR  31  19.350   1.062   8.248
  230    HA   TYR  31           HA       TYR  31  20.547   1.817   5.815
  231   1HB   TYR  31          HB2       TYR  31  19.391   3.437   7.225
  232   2HB   TYR  31          HB3       TYR  31  20.592   3.223   8.493
  233    HD1  TYR  31           HD1      TYR  31  20.477   4.047   4.857
  234    HD2  TYR  31           HD2      TYR  31  22.250   4.829   8.641
  235    HE1  TYR  31           HE1      TYR  31  21.852   5.804   3.840
  236    HE2  TYR  31           HE2      TYR  31  23.642   6.589   7.627
  237    HH   TYR  31           HH       TYR  31  24.150   7.701   5.773
  238    H    LYS  32           H        LYS  32  21.874   0.696   8.837
  239    HA   LYS  32           HA       LYS  32  24.504   1.545   8.596
  240   1HB   LYS  32          2HB       LYS  32  23.274   0.296  10.519
  241   2HB   LYS  32          3HB       LYS  32  23.856  -1.156   9.716
  242   1HG   LYS  32          2HG       LYS  32  25.837  -0.922  10.653
  243   2HG   LYS  32          3HG       LYS  32  26.014   0.688   9.953
  244   1HD   LYS  32          2HD       LYS  32  24.619   0.028  12.549
  245   2HD   LYS  32          3HD       LYS  32  26.218   0.759  12.390
  246   1HE   LYS  32          2HE       LYS  32  24.035   2.132  10.961
  247   2HE   LYS  32          3HE       LYS  32  23.929   2.159  12.721
  248   1HZ   LYS  32          HZ1       LYS  32  26.508   2.816  11.501
  249   2HZ   LYS  32          HZ2       LYS  32  25.268   3.972  11.397
  250   3HZ   LYS  32          HZ3       LYS  32  25.789   3.416  12.915
  251    H    LEU  33           H        LEU  33  23.123  -1.574   7.544
  252    HA   LEU  33           HA       LEU  33  25.524  -2.394   6.246
  253   1HB   LEU  33          2HB       LEU  33  23.794  -3.999   5.061
  254   2HB   LEU  33          3HB       LEU  33  24.308  -4.251   6.717
  255    HG   LEU  33           HG       LEU  33  22.092  -2.617   6.986
  256   1HD1  LEU  33          1HD1      LEU  33  21.788  -3.230   4.474
  257   2HD1  LEU  33          2HD1      LEU  33  21.236  -4.778   5.116
  258   3HD1  LEU  33          3HD1      LEU  33  20.407  -3.288   5.572
  259   1HD2  LEU  33          1HD2      LEU  33  22.472  -5.593   7.188
  260   2HD2  LEU  33          2HD2      LEU  33  22.530  -4.393   8.479
  261   3HD2  LEU  33          3HD2      LEU  33  20.995  -4.778   7.701
  262    H    LEU  34           H        LEU  34  22.809  -0.470   5.304
  263    HA   LEU  34           HA       LEU  34  23.039  -0.700   2.498
  264   1HB   LEU  34          2HB       LEU  34  21.943   1.466   4.277
  265   2HB   LEU  34          3HB       LEU  34  21.921   1.595   2.530
  266    HG   LEU  34           HG       LEU  34  20.592  -0.624   4.081
  267   1HD1  LEU  34          1HD1      LEU  34  19.468   1.916   2.919
  268   2HD1  LEU  34          2HD1      LEU  34  18.492   0.549   3.464
  269   3HD1  LEU  34          3HD1      LEU  34  19.493   1.436   4.616
  270   1HD2  LEU  34          1HD2      LEU  34  21.010  -0.044   1.232
  271   2HD2  LEU  34          2HD2      LEU  34  20.693  -1.574   2.047
  272   3HD2  LEU  34          3HD2      LEU  34  19.362  -0.478   1.681
  273    H    GLN  35           H        GLN  35  24.404   1.624   4.818
  274    HA   GLN  35           HA       GLN  35  25.720   3.105   2.770
  275   1HB   GLN  35          2HB       GLN  35  26.845   4.282   4.676
  276   2HB   GLN  35          3HB       GLN  35  25.089   4.311   4.716
  277   1HG   GLN  35          2HG       GLN  35  25.243   3.631   6.817
  278   2HG   GLN  35          3HG       GLN  35  25.744   2.064   6.183
  279   1HE2  GLN  35          1HE2      GLN  35  27.313   1.369   7.447
  280   2HE2  GLN  35          2HE2      GLN  35  28.709   2.281   7.926
  281    H    GLU  36           H        GLU  36  26.673   0.421   4.809
  282    HA   GLU  36           HA       GLU  36  29.466   0.788   4.164
  283   1HB   GLU  36          2HB       GLU  36  29.874  -0.494   5.965
  284   2HB   GLU  36          3HB       GLU  36  28.169  -0.279   6.323
  285   1HG   GLU  36          2HG       GLU  36  27.875  -2.406   4.854
  286   2HG   GLU  36          3HG       GLU  36  29.587  -2.644   5.197
  287    H    ASN  37           H        ASN  37  26.771  -1.036   2.985
  288    HA   ASN  37           HA       ASN  37  28.573  -2.330   1.043
  289   1HB   ASN  37          2HB       ASN  37  26.056  -3.430   2.304
  290   2HB   ASN  37          3HB       ASN  37  26.755  -4.100   0.837
  291   1HD2  ASN  37          1HD2      ASN  37  26.631  -4.338   4.118
  292   2HD2  ASN  37          2HD2      ASN  37  28.067  -5.255   4.397
  293    HA   PRO  38           HA       PRO  38  25.929   0.512  -1.359
  294   1HB   PRO  38          2HB       PRO  38  27.995   0.087  -3.408
  295   2HB   PRO  38          3HB       PRO  38  27.440   1.590  -2.666
  296   1HG   PRO  38          2HG       PRO  38  29.857   0.552  -2.121
  297   2HG   PRO  38          3HG       PRO  38  28.907   1.419  -0.899
  298   1HD   PRO  38          2HD       PRO  38  29.268  -1.533  -1.274
  299   2HD   PRO  38          3HD       PRO  38  29.255  -0.581   0.227
  300    H    ASP  39           H        ASP  39  26.580  -2.718  -1.633
  301    HA   ASP  39           HA       ASP  39  25.207  -3.051  -4.192
  302   1HB   ASP  39          2HB       ASP  39  27.324  -4.409  -3.259
  303   2HB   ASP  39          3HB       ASP  39  26.043  -5.403  -2.571
  304    H    ILE  40           H        ILE  40  24.768  -3.198  -0.791
  305    HA   ILE  40           HA       ILE  40  22.250  -4.630  -0.924
  306    HB   ILE  40           HB       ILE  40  23.497  -3.103   1.373
  307   1HG1  ILE  40          2HG1      ILE  40  23.340  -6.064   0.775
  308   2HG1  ILE  40          3HG1      ILE  40  24.796  -5.076   0.775
  309   1HG2  ILE  40          1HG2      ILE  40  20.925  -4.572   1.072
  310   2HG2  ILE  40          2HG2      ILE  40  21.769  -4.650   2.618
  311   3HG2  ILE  40          3HG2      ILE  40  21.280  -3.089   1.958
  312   1HD1  ILE  40          1HD1      ILE  40  23.083  -5.651   3.181
  313   2HD1  ILE  40          2HD1      ILE  40  24.602  -6.451   2.783
  314   3HD1  ILE  40          3HD1      ILE  40  24.586  -4.729   3.162
  315    H    THR  41           H        THR  41  20.594  -3.644  -1.787
  316    HA   THR  41           HA       THR  41  20.463  -0.717  -1.711
  317    HB   THR  41           HB       THR  41  18.617  -2.257  -3.454
  318    HG1  THR  41           HG1      THR  41  21.272  -2.760  -3.401
  319   1HG2  THR  41          1HG2      THR  41  19.900   0.358  -3.352
  320   2HG2  THR  41          2HG2      THR  41  19.992  -0.389  -4.947
  321   3HG2  THR  41          3HG2      THR  41  18.426  -0.146  -4.176
  322    H    LEU  42           H        LEU  42  18.580   0.402  -1.097
  323    HA   LEU  42           HA       LEU  42  16.622  -1.230   0.364
  324   1HB   LEU  42          2HB       LEU  42  17.350   0.339   1.912
  325   2HB   LEU  42          3HB       LEU  42  17.583   1.587   0.698
  326    HG   LEU  42           HG       LEU  42  14.972   1.532   0.544
  327   1HD1  LEU  42          1HD1      LEU  42  15.323  -0.474   2.394
  328   2HD1  LEU  42          2HD1      LEU  42  14.882   0.920   3.382
  329   3HD1  LEU  42          3HD1      LEU  42  13.821   0.396   2.074
  330   1HD2  LEU  42          1HD2      LEU  42  16.377   3.402   1.385
  331   2HD2  LEU  42          2HD2      LEU  42  14.830   3.249   2.220
  332   3HD2  LEU  42          3HD2      LEU  42  16.310   2.677   2.993
  333    H    ILE  43           H        ILE  43  14.657  -1.412  -0.413
  334    HA   ILE  43           HA       ILE  43  13.843   0.383  -2.603
  335    HB   ILE  43           HB       ILE  43  13.348  -2.522  -2.142
  336   1HG1  ILE  43          2HG1      ILE  43  13.242  -1.945  -4.838
  337   2HG1  ILE  43          3HG1      ILE  43  14.349  -0.721  -4.214
  338   1HG2  ILE  43          1HG2      ILE  43  11.365  -0.708  -3.513
  339   2HG2  ILE  43          2HG2      ILE  43  11.376  -2.465  -3.648
  340   3HG2  ILE  43          3HG2      ILE  43  11.078  -1.704  -2.087
  341   1HD1  ILE  43          1HD1      ILE  43  15.211  -3.034  -3.001
  342   2HD1  ILE  43          2HD1      ILE  43  14.741  -3.567  -4.616
  343   3HD1  ILE  43          3HD1      ILE  43  15.924  -2.273  -4.422
  344    H    ASP  44           H        ASP  44  12.466   1.853  -2.005
  345    HA   ASP  44           HA       ASP  44  10.898   1.370   0.422
  346   1HB   ASP  44          2HB       ASP  44  12.126   3.299   0.806
  347   2HB   ASP  44          3HB       ASP  44  12.026   3.820  -0.870
  348    H    VAL  45           H        VAL  45   8.753   1.522   0.480
  349    HA   VAL  45           HA       VAL  45   7.363   2.207  -2.017
  350    HB   VAL  45           HB       VAL  45   5.578   0.623  -0.595
  351   1HG1  VAL  45          1HG1      VAL  45   7.364  -0.032  -2.927
  352   2HG1  VAL  45          2HG1      VAL  45   5.976  -1.001  -2.436
  353   3HG1  VAL  45          3HG1      VAL  45   5.744   0.661  -2.982
  354   1HG2  VAL  45          1HG2      VAL  45   8.311  -0.224  -0.005
  355   2HG2  VAL  45          2HG2      VAL  45   6.792  -0.673   0.771
  356   3HG2  VAL  45          3HG2      VAL  45   7.309  -1.499  -0.699
  357    H    ARG  46           H        ARG  46   6.851   4.227  -1.537
  358    HA   ARG  46           HA       ARG  46   5.021   4.693   0.686
  359   1HB   ARG  46          2HB       ARG  46   7.393   5.239   1.385
  360   2HB   ARG  46          3HB       ARG  46   7.398   6.485   0.145
  361   1HG   ARG  46          2HG       ARG  46   6.883   7.656   2.068
  362   2HG   ARG  46          3HG       ARG  46   5.299   7.377   1.344
  363   1HD   ARG  46          2HD       ARG  46   5.707   5.142   2.919
  364   2HD   ARG  46          3HD       ARG  46   6.378   6.459   3.880
  365    HE   ARG  46           HE       ARG  46   4.260   7.440   4.023
  366   1HH1  ARG  46          1HH1      ARG  46   4.193   4.499   2.093
  367   2HH1  ARG  46          2HH1      ARG  46   2.453   4.403   2.095
  368   1HH2  ARG  46          1HH2      ARG  46   1.981   7.254   4.058
  369   2HH2  ARG  46          2HH2      ARG  46   1.220   5.937   3.195
  370    H    ASP  47           H        ASP  47   3.610   6.418   0.331
  371    HA   ASP  47           HA       ASP  47   2.871   6.829  -2.330
  372   1HB   ASP  47          2HB       ASP  47   2.039   8.703   0.317
  373   2HB   ASP  47          3HB       ASP  47   1.297   9.080  -1.252
  374    HA   PRO  48           HA       PRO  48   5.644   9.942  -3.725
  375   1HB   PRO  48          2HB       PRO  48   4.017  11.059  -5.655
  376   2HB   PRO  48          3HB       PRO  48   4.984   9.597  -5.872
  377   1HG   PRO  48          2HG       PRO  48   2.080   9.870  -5.221
  378   2HG   PRO  48          3HG       PRO  48   2.883   8.723  -6.309
  379   1HD   PRO  48          2HD       PRO  48   2.067   7.997  -3.862
  380   2HD   PRO  48          3HD       PRO  48   3.567   7.358  -4.566
  381    H    ASP  49           H        ASP  49   2.327  10.845  -2.856
  382    HA   ASP  49           HA       ASP  49   2.964  13.652  -2.722
  383   1HB   ASP  49          2HB       ASP  49   0.606  12.230  -2.918
  384   2HB   ASP  49          3HB       ASP  49   0.591  12.780  -1.246
  385    H    GLU  50           H        GLU  50   2.706  10.941  -0.498
  386    HA   GLU  50           HA       GLU  50   3.065  12.461   1.891
  387   1HB   GLU  50          2HB       GLU  50   2.663   9.732   1.190
  388   2HB   GLU  50          3HB       GLU  50   4.107   9.823   2.189
  389   1HG   GLU  50          2HG       GLU  50   2.496  11.394   3.624
  390   2HG   GLU  50          3HG       GLU  50   1.288  10.354   2.870
  391    H    LEU  51           H        LEU  51   5.184  10.965  -0.464
  392    HA   LEU  51           HA       LEU  51   7.652  11.137   0.868
  393   1HB   LEU  51          2HB       LEU  51   6.740  10.428  -1.677
  394   2HB   LEU  51          3HB       LEU  51   7.819  11.777  -1.961
  395    HG   LEU  51           HG       LEU  51   9.559  10.522  -0.617
  396   1HD1  LEU  51          1HD1      LEU  51   7.437   8.875   0.005
  397   2HD1  LEU  51          2HD1      LEU  51   8.343   7.950  -1.195
  398   3HD1  LEU  51          3HD1      LEU  51   9.147   8.521   0.269
  399   1HD2  LEU  51          1HD2      LEU  51   8.529   9.868  -3.302
  400   2HD2  LEU  51          2HD2      LEU  51  10.127  10.416  -2.798
  401   3HD2  LEU  51          3HD2      LEU  51   9.676   8.722  -2.605
  402    H    LYS  52           H        LYS  52   5.733  13.459  -0.848
  403    HA   LYS  52           HA       LYS  52   7.713  15.540  -0.874
  404   1HB   LYS  52          2HB       LYS  52   4.817  15.346  -1.588
  405   2HB   LYS  52          3HB       LYS  52   5.519  16.939  -1.341
  406   1HG   LYS  52          2HG       LYS  52   6.598  16.889  -3.295
  407   2HG   LYS  52          3HG       LYS  52   7.117  15.218  -3.071
  408   1HD   LYS  52          2HD       LYS  52   5.685  15.299  -4.987
  409   2HD   LYS  52          3HD       LYS  52   4.811  14.492  -3.684
  410   1HE   LYS  52          2HE       LYS  52   3.851  16.822  -3.170
  411   2HE   LYS  52          3HE       LYS  52   4.431  17.261  -4.775
  412   1HZ   LYS  52          HZ1       LYS  52   3.134  15.075  -5.404
  413   2HZ   LYS  52          HZ2       LYS  52   2.255  15.464  -4.001
  414   3HZ   LYS  52          HZ3       LYS  52   2.345  16.568  -5.286
  415    H    ALA  53           H        ALA  53   4.945  14.691   1.134
  416    HA   ALA  53           HA       ALA  53   5.068  17.104   2.661
  417   1HB   ALA  53          1HB       ALA  53   3.075  15.451   2.105
  418   2HB   ALA  53          2HB       ALA  53   3.538  14.779   3.670
  419   3HB   ALA  53          3HB       ALA  53   3.078  16.477   3.541
  420    H    MET  54           H        MET  54   5.817  13.688   3.440
  421    HA   MET  54           HA       MET  54   6.790  14.569   6.049
  422   1HB   MET  54          2HB       MET  54   5.983  11.962   4.846
  423   2HB   MET  54          3HB       MET  54   7.093  11.940   6.209
  424   1HG   MET  54          2HG       MET  54   5.128  13.663   7.045
  425   2HG   MET  54          3HG       MET  54   4.233  12.450   6.133
  426   1HE   MET  54          1HE       MET  54   4.907  10.074   6.216
  427   2HE   MET  54          2HE       MET  54   5.477   9.192   7.633
  428   3HE   MET  54          3HE       MET  54   3.797   9.718   7.538
  429    H    GLY  55           H        GLY  55   7.987  13.046   3.114
  430   1HA   GLY  55          1HA       GLY  55  10.324  13.763   2.578
  431   2HA   GLY  55          2HA       GLY  55  10.716  13.243   4.210
  432    H    LYS  56           H        LYS  56  12.193  12.187   2.298
  433    HA   LYS  56           HA       LYS  56  11.276   9.398   2.164
  434   1HB   LYS  56          2HB       LYS  56  12.700   9.536  -0.126
  435   2HB   LYS  56          3HB       LYS  56  10.957   9.757  -0.062
  436   1HG   LYS  56          2HG       LYS  56  11.086  11.999  -0.441
  437   2HG   LYS  56          3HG       LYS  56  12.674  12.147   0.315
  438   1HD   LYS  56          2HD       LYS  56  13.666  10.979  -1.626
  439   2HD   LYS  56          3HD       LYS  56  12.074  10.951  -2.389
  440   1HE   LYS  56          2HE       LYS  56  12.148  13.526  -1.961
  441   2HE   LYS  56          3HE       LYS  56  13.887  13.262  -1.856
  442   1HZ   LYS  56          HZ1       LYS  56  13.410  11.967  -4.088
  443   2HZ   LYS  56          HZ2       LYS  56  12.110  13.053  -4.165
  444   3HZ   LYS  56          HZ3       LYS  56  13.702  13.638  -4.068
  445    HA   PRO  57           HA       PRO  57  15.196   8.468   3.892
  446   1HB   PRO  57          2HB       PRO  57  15.912   6.201   2.464
  447   2HB   PRO  57          3HB       PRO  57  14.893   6.231   3.903
  448   1HG   PRO  57          2HG       PRO  57  14.127   6.034   1.034
  449   2HG   PRO  57          3HG       PRO  57  13.352   5.317   2.455
  450   1HD   PRO  57          2HD       PRO  57  12.346   7.478   1.164
  451   2HD   PRO  57          3HD       PRO  57  12.137   7.219   2.908
  452    H    ASP  58           H        ASP  58  17.047   9.447   3.584
  453    HA   ASP  58           HA       ASP  58  18.067   9.929   0.896
  454   1HB   ASP  58          2HB       ASP  58  18.042  11.772   2.555
  455   2HB   ASP  58          3HB       ASP  58  19.115  10.839   3.589
  456    H    VAL  59           H        VAL  59  18.656   7.850   0.323
  457    HA   VAL  59           HA       VAL  59  21.015   6.793   1.732
  458    HB   VAL  59           HB       VAL  59  20.211   4.545   0.620
  459   1HG1  VAL  59          1HG1      VAL  59  19.908   5.713   3.186
  460   2HG1  VAL  59          2HG1      VAL  59  18.467   4.754   2.840
  461   3HG1  VAL  59          3HG1      VAL  59  20.064   4.009   2.761
  462   1HG2  VAL  59          1HG2      VAL  59  17.911   6.287   0.282
  463   2HG2  VAL  59          2HG2      VAL  59  18.256   4.712  -0.438
  464   3HG2  VAL  59          3HG2      VAL  59  17.524   4.809   1.165
  465    H    LYS  60           H        LYS  60  22.701   6.064   0.445
  466    HA   LYS  60           HA       LYS  60  23.187   7.423  -1.901
  467   1HB   LYS  60          2HB       LYS  60  24.907   5.470  -2.270
  468   2HB   LYS  60          3HB       LYS  60  25.115   6.609  -0.948
  469   1HG   LYS  60          2HG       LYS  60  24.671   5.058   0.642
  470   2HG   LYS  60          3HG       LYS  60  23.550   4.163  -0.387
  471   1HD   LYS  60          2HD       LYS  60  25.184   2.676  -0.673
  472   2HD   LYS  60          3HD       LYS  60  25.995   3.895  -1.659
  473   1HE   LYS  60          2HE       LYS  60  26.330   3.536   1.316
  474   2HE   LYS  60          3HE       LYS  60  27.463   2.980   0.086
  475   1HZ   LYS  60          HZ1       LYS  60  27.573   5.395  -0.630
  476   2HZ   LYS  60          HZ2       LYS  60  26.805   5.765   0.835
  477   3HZ   LYS  60          HZ3       LYS  60  28.317   5.002   0.846
  478    H    ASN  61           H        ASN  61  21.967   4.165  -1.478
  479    HA   ASN  61           HA       ASN  61  21.353   4.043  -4.354
  480   1HB   ASN  61          2HB       ASN  61  21.242   1.507  -3.893
  481   2HB   ASN  61          3HB       ASN  61  22.828   2.262  -3.964
  482   1HD2  ASN  61          1HD2      ASN  61  23.531   0.381  -2.802
  483   2HD2  ASN  61          2HD2      ASN  61  23.331   0.297  -1.084
  484    H    TYR  62           H        TYR  62  19.468   5.342  -3.715
  485    HA   TYR  62           HA       TYR  62  17.374   3.874  -2.294
  486   1HB   TYR  62          HB2       TYR  62  17.707   6.159  -1.587
  487   2HB   TYR  62          HB3       TYR  62  17.616   6.737  -3.245
  488    HD1  TYR  62           HD1      TYR  62  15.353   4.258  -1.699
  489    HD2  TYR  62           HD2      TYR  62  15.832   8.265  -3.030
  490    HE1  TYR  62           HE1      TYR  62  12.945   4.619  -1.441
  491    HE2  TYR  62           HE2      TYR  62  13.418   8.648  -2.768
  492    HH   TYR  62           HH       TYR  62  11.323   6.298  -1.246
  493    H    LYS  63           H        LYS  63  15.958   2.643  -3.500
  494    HA   LYS  63           HA       LYS  63  15.334   3.656  -6.175
  495   1HB   LYS  63          2HB       LYS  63  15.312   0.772  -5.251
  496   2HB   LYS  63          3HB       LYS  63  14.903   1.356  -6.855
  497   1HG   LYS  63          2HG       LYS  63  17.313   2.348  -6.751
  498   2HG   LYS  63          3HG       LYS  63  17.555   1.040  -5.594
  499   1HD   LYS  63          2HD       LYS  63  16.123   0.046  -7.856
  500   2HD   LYS  63          3HD       LYS  63  17.550   0.913  -8.421
  501   1HE   LYS  63          2HE       LYS  63  17.951  -0.907  -6.133
  502   2HE   LYS  63          3HE       LYS  63  17.567  -1.672  -7.674
  503   1HZ   LYS  63          HZ1       LYS  63  19.702   0.365  -7.449
  504   2HZ   LYS  63          HZ2       LYS  63  20.009  -1.277  -7.143
  505   3HZ   LYS  63          HZ3       LYS  63  19.465  -0.782  -8.671
  506    H    HIS  64           H        HIS  64  13.395   4.587  -6.071
  507    HA   HIS  64           HA       HIS  64  11.374   3.673  -4.189
  508   1HB   HIS  64          2HB       HIS  64  11.872   6.138  -5.009
  509   2HB   HIS  64          3HB       HIS  64  10.843   5.677  -6.361
  510    HD1  HIS  64           HD1      HIS  64   8.898   7.215  -5.737
  511    HD2  HIS  64           HD2      HIS  64   9.993   4.605  -2.690
  512    HE1  HIS  64           HE1      HIS  64   7.066   7.366  -4.014
  513    HE2  HIS  64           HE2      HIS  64   7.912   5.997  -2.077
  514    H    MET  65           H        MET  65  10.117   1.959  -4.708
  515    HA   MET  65           HA       MET  65   9.699   1.441  -7.586
  516   1HB   MET  65          2HB       MET  65  10.709  -0.203  -5.457
  517   2HB   MET  65          3HB       MET  65   9.256  -0.928  -6.135
  518   1HG   MET  65          2HG       MET  65  10.718  -1.830  -7.580
  519   2HG   MET  65          3HG       MET  65  10.536  -0.281  -8.399
  520   1HE   MET  65          1HE       MET  65  11.974   1.232  -8.844
  521   2HE   MET  65          2HE       MET  65  13.598   1.521  -8.222
  522   3HE   MET  65          3HE       MET  65  13.333   0.295  -9.463
  523    H    SER  66           H        SER  66   7.762   2.474  -7.843
  524    HA   SER  66           HA       SER  66   5.602   1.915  -5.990
  525   1HB   SER  66          2HB       SER  66   4.666   3.642  -7.972
  526   2HB   SER  66          3HB       SER  66   5.269   4.094  -6.375
  527    HG   SER  66           HG       SER  66   6.403   5.194  -8.020
  528    H    ARG  67           H        ARG  67   4.471   2.737  -9.058
  529    HA   ARG  67           HA       ARG  67   2.978   1.764 -10.453
  530   1HB   ARG  67          2HB       ARG  67   5.123   0.265 -10.835
  531   2HB   ARG  67          3HB       ARG  67   4.134  -0.959 -10.052
  532   1HG   ARG  67          2HG       ARG  67   3.958  -1.068 -12.486
  533   2HG   ARG  67          3HG       ARG  67   2.410  -0.687 -11.735
  534   1HD   ARG  67          2HD       ARG  67   4.010   1.662 -12.451
  535   2HD   ARG  67          3HD       ARG  67   3.529   0.670 -13.826
  536    HE   ARG  67           HE       ARG  67   1.523   1.616 -11.876
  537   1HH1  ARG  67          1HH1      ARG  67   2.711   1.375 -15.172
  538   2HH1  ARG  67          2HH1      ARG  67   1.314   2.152 -15.862
  539   1HH2  ARG  67          1HH2      ARG  67  -0.315   2.618 -12.785
  540   2HH2  ARG  67          2HH2      ARG  67  -0.391   2.892 -14.505
  541    H    GLY  68           H        GLY  68   2.345  -1.358  -9.812
  542   1HA   GLY  68          1HA       GLY  68   0.309  -0.640  -7.852
  543   2HA   GLY  68          2HA       GLY  68   0.388  -2.129  -8.792
  544    H    LYS  69           H        LYS  69   3.047  -2.824  -8.302
  545    HA   LYS  69           HA       LYS  69   3.551  -2.789  -5.488
  546   1HB   LYS  69          2HB       LYS  69   1.842  -4.762  -6.171
  547   2HB   LYS  69          3HB       LYS  69   3.375  -5.582  -6.434
  548   1HG   LYS  69          2HG       LYS  69   2.643  -6.034  -4.202
  549   2HG   LYS  69          3HG       LYS  69   4.047  -4.967  -4.123
  550   1HD   LYS  69          2HD       LYS  69   1.453  -3.590  -4.232
  551   2HD   LYS  69          3HD       LYS  69   1.709  -4.563  -2.785
  552   1HE   LYS  69          2HE       LYS  69   2.910  -2.893  -1.943
  553   2HE   LYS  69          3HE       LYS  69   4.107  -3.174  -3.206
  554   1HZ   LYS  69          HZ1       LYS  69   2.030  -1.695  -4.337
  555   2HZ   LYS  69          HZ2       LYS  69   2.416  -0.955  -2.866
  556   3HZ   LYS  69          HZ3       LYS  69   3.619  -1.190  -4.032
  557    H    LEU  70           H        LEU  70   4.970  -1.821  -7.541
  558    HA   LEU  70           HA       LEU  70   7.099  -1.572  -8.201
  559   1HB   LEU  70          2HB       LEU  70   8.612  -2.016  -6.628
  560   2HB   LEU  70          3HB       LEU  70   7.238  -2.594  -5.711
  561    HG   LEU  70           HG       LEU  70   8.113  -4.813  -7.189
  562   1HD1  LEU  70          1HD1      LEU  70  10.207  -3.300  -7.443
  563   2HD1  LEU  70          2HD1      LEU  70  10.485  -3.705  -5.749
  564   3HD1  LEU  70          3HD1      LEU  70  10.406  -4.985  -6.959
  565   1HD2  LEU  70          1HD2      LEU  70   7.545  -4.076  -4.543
  566   2HD2  LEU  70          2HD2      LEU  70   7.794  -5.702  -5.180
  567   3HD2  LEU  70          3HD2      LEU  70   9.155  -4.796  -4.519
  568    H    GLU  71           H        GLU  71   5.592  -4.531  -8.747
  569    HA   GLU  71           HA       GLU  71   7.417  -6.228  -9.758
  570   1HB   GLU  71          2HB       GLU  71   5.161  -6.138 -11.581
  571   2HB   GLU  71          3HB       GLU  71   5.659  -7.401 -10.465
  572   1HG   GLU  71          2HG       GLU  71   3.767  -6.941  -9.381
  573   2HG   GLU  71          3HG       GLU  71   4.615  -5.518  -8.776
  574    HA   PRO  72           HA       PRO  72   7.584  -4.416 -14.184
  575   1HB   PRO  72          2HB       PRO  72   6.434  -1.728 -14.132
  576   2HB   PRO  72          3HB       PRO  72   6.050  -3.087 -15.189
  577   1HG   PRO  72          2HG       PRO  72   4.343  -2.203 -13.295
  578   2HG   PRO  72          3HG       PRO  72   4.442  -3.910 -13.768
  579   1HD   PRO  72          2HD       PRO  72   5.626  -2.533 -11.383
  580   2HD   PRO  72          3HD       PRO  72   4.808  -4.107 -11.482
  581    H    LEU  73           H        LEU  73   8.091  -2.398 -11.424
  582    HA   LEU  73           HA       LEU  73  10.148  -0.818 -12.756
  583   1HB   LEU  73          2HB       LEU  73   8.519  -0.566 -10.373
  584   2HB   LEU  73          3HB       LEU  73  10.209  -0.301 -10.002
  585    HG   LEU  73           HG       LEU  73   8.981   1.784 -10.499
  586   1HD1  LEU  73          1HD1      LEU  73  11.483   1.258 -11.066
  587   2HD1  LEU  73          2HD1      LEU  73  10.924   1.439 -12.727
  588   3HD1  LEU  73          3HD1      LEU  73  10.736   2.770 -11.585
  589   1HD2  LEU  73          1HD2      LEU  73   8.145   0.252 -12.806
  590   2HD2  LEU  73          2HD2      LEU  73   7.481   1.745 -12.142
  591   3HD2  LEU  73          3HD2      LEU  73   8.835   1.807 -13.269
  592    H    LEU  74           H        LEU  74   9.826  -3.680 -10.995
  593    HA   LEU  74           HA       LEU  74  12.329  -3.798  -9.674
  594   1HB   LEU  74          2HB       LEU  74  10.367  -5.196  -9.133
  595   2HB   LEU  74          3HB       LEU  74  10.531  -6.013 -10.673
  596    HG   LEU  74           HG       LEU  74  12.784  -6.823  -9.908
  597   1HD1  LEU  74          1HD1      LEU  74  12.458  -4.954  -7.916
  598   2HD1  LEU  74          2HD1      LEU  74  12.124  -6.480  -7.101
  599   3HD1  LEU  74          3HD1      LEU  74  13.658  -6.246  -7.940
  600   1HD2  LEU  74          1HD2      LEU  74  10.204  -7.568  -8.599
  601   2HD2  LEU  74          2HD2      LEU  74  11.121  -8.431  -9.832
  602   3HD2  LEU  74          3HD2      LEU  74  11.694  -8.404  -8.163
  603    H    ALA  75           H        ALA  75  11.185  -4.664 -12.849
  604    HA   ALA  75           HA       ALA  75  13.666  -5.862 -13.711
  605   1HB   ALA  75          1HB       ALA  75  11.177  -5.033 -15.189
  606   2HB   ALA  75          2HB       ALA  75  12.583  -5.751 -15.976
  607   3HB   ALA  75          3HB       ALA  75  11.688  -6.667 -14.762
  608    H    LYS  76           H        LYS  76  12.129  -2.746 -13.758
  609    HA   LYS  76           HA       LYS  76  13.715  -1.520 -15.742
  610   1HB   LYS  76          2HB       LYS  76  12.055  -0.386 -13.497
  611   2HB   LYS  76          3HB       LYS  76  12.873   0.621 -14.682
  612   1HG   LYS  76          2HG       LYS  76  11.564  -0.941 -16.370
  613   2HG   LYS  76          3HG       LYS  76  10.495  -1.120 -14.972
  614   1HD   LYS  76          2HD       LYS  76   9.699   0.963 -15.177
  615   2HD   LYS  76          3HD       LYS  76  11.303   1.641 -15.474
  616   1HE   LYS  76          2HE       LYS  76  10.219   0.010 -17.662
  617   2HE   LYS  76          3HE       LYS  76   9.322   1.491 -17.327
  618   1HZ   LYS  76          HZ1       LYS  76  11.648   2.569 -17.360
  619   2HZ   LYS  76          HZ2       LYS  76  12.120   1.173 -18.195
  620   3HZ   LYS  76          HZ3       LYS  76  10.905   2.173 -18.832
  621    H    SER  77           H        SER  77  14.258  -2.103 -12.358
  622    HA   SER  77           HA       SER  77  16.274  -0.057 -12.126
  623   1HB   SER  77          2HB       SER  77  16.581  -1.639  -9.919
  624   2HB   SER  77          3HB       SER  77  15.438  -0.299 -10.033
  625    HG   SER  77           HG       SER  77  13.804  -1.684 -10.347
  626    H    GLY  78           H        GLY  78  16.168  -3.595 -12.279
  627   1HA   GLY  78          1HA       GLY  78  17.851  -4.890 -13.381
  628   2HA   GLY  78          2HA       GLY  78  18.991  -3.582 -13.103
  629    H    LEU  79           H        LEU  79  16.824  -5.569 -11.102
  630    HA   LEU  79           HA       LEU  79  18.882  -5.699  -9.037
  631   1HB   LEU  79          2HB       LEU  79  15.964  -6.145  -9.174
  632   2HB   LEU  79          3HB       LEU  79  16.839  -7.185  -8.066
  633    HG   LEU  79           HG       LEU  79  16.654  -4.177  -8.003
  634   1HD1  LEU  79          1HD1      LEU  79  14.794  -5.500  -7.039
  635   2HD1  LEU  79          2HD1      LEU  79  15.949  -6.265  -5.948
  636   3HD1  LEU  79          3HD1      LEU  79  15.654  -4.529  -5.844
  637   1HD2  LEU  79          1HD2      LEU  79  18.968  -4.859  -7.538
  638   2HD2  LEU  79          2HD2      LEU  79  18.168  -4.219  -6.102
  639   3HD2  LEU  79          3HD2      LEU  79  18.386  -5.959  -6.289
  640    H    ASP  80           H        ASP  80  19.828  -7.630  -8.318
  641    HA   ASP  80           HA       ASP  80  19.322 -10.011  -9.972
  642   1HB   ASP  80          2HB       ASP  80  21.593  -8.704 -10.226
  643   2HB   ASP  80          3HB       ASP  80  21.995  -9.498  -8.707
  644    HA   PRO  81           HA       PRO  81  18.157 -11.837  -6.183
  645   1HB   PRO  81          2HB       PRO  81  18.657 -14.478  -6.746
  646   2HB   PRO  81          3HB       PRO  81  17.247 -13.576  -7.318
  647   1HG   PRO  81          2HG       PRO  81  19.798 -14.212  -8.743
  648   2HG   PRO  81          3HG       PRO  81  18.133 -14.238  -9.354
  649   1HD   PRO  81          2HD       PRO  81  19.808 -12.210  -9.894
  650   2HD   PRO  81          3HD       PRO  81  18.069 -11.946  -9.641
  651    H    GLU  82           H        GLU  82  21.367 -11.551  -6.904
  652    HA   GLU  82           HA       GLU  82  22.180 -13.154  -4.582
  653   1HB   GLU  82          2HB       GLU  82  24.507 -12.735  -5.368
  654   2HB   GLU  82          3HB       GLU  82  23.528 -13.633  -6.520
  655   1HG   GLU  82          2HG       GLU  82  23.974 -12.143  -8.081
  656   2HG   GLU  82          3HG       GLU  82  23.251 -10.875  -7.096
  657    H    LYS  83           H        LYS  83  21.364 -10.043  -5.529
  658    HA   LYS  83           HA       LYS  83  23.127  -8.678  -3.685
  659   1HB   LYS  83          2HB       LYS  83  21.176  -7.889  -5.777
  660   2HB   LYS  83          3HB       LYS  83  21.443  -6.750  -4.463
  661   1HG   LYS  83          2HG       LYS  83  23.267  -6.036  -5.479
  662   2HG   LYS  83          3HG       LYS  83  23.975  -7.643  -5.301
  663   1HD   LYS  83          2HD       LYS  83  22.930  -8.327  -7.412
  664   2HD   LYS  83          3HD       LYS  83  22.250  -6.709  -7.592
  665   1HE   LYS  83          2HE       LYS  83  24.345  -7.119  -8.902
  666   2HE   LYS  83          3HE       LYS  83  24.409  -5.734  -7.814
  667   1HZ   LYS  83          HZ1       LYS  83  25.608  -7.099  -6.207
  668   2HZ   LYS  83          HZ2       LYS  83  25.557  -8.427  -7.270
  669   3HZ   LYS  83          HZ3       LYS  83  26.429  -7.035  -7.689
  670    HA   PRO  84           HA       PRO  84  20.139  -9.118  -0.350
  671   1HB   PRO  84          2HB       PRO  84  21.974  -7.365   1.117
  672   2HB   PRO  84          3HB       PRO  84  21.516  -9.034   1.463
  673   1HG   PRO  84          2HG       PRO  84  23.984  -8.365   0.602
  674   2HG   PRO  84          3HG       PRO  84  23.213  -9.904   0.176
  675   1HD   PRO  84          2HD       PRO  84  23.476  -7.400  -1.453
  676   2HD   PRO  84          3HD       PRO  84  23.681  -9.096  -1.950
  677    H    VAL  85           H        VAL  85  18.414  -7.846   0.056
  678    HA   VAL  85           HA       VAL  85  18.719  -4.939  -0.238
  679    HB   VAL  85           HB       VAL  85  16.424  -4.947  -1.350
  680   1HG1  VAL  85          1HG1      VAL  85  18.829  -4.718  -2.405
  681   2HG1  VAL  85          2HG1      VAL  85  18.380  -6.239  -3.179
  682   3HG1  VAL  85          3HG1      VAL  85  17.387  -4.802  -3.418
  683   1HG2  VAL  85          1HG2      VAL  85  16.268  -7.517  -0.782
  684   2HG2  VAL  85          2HG2      VAL  85  15.509  -6.847  -2.227
  685   3HG2  VAL  85          3HG2      VAL  85  17.063  -7.671  -2.348
  686    H    VAL  86           H        VAL  86  17.074  -3.685   0.770
  687    HA   VAL  86           HA       VAL  86  15.478  -5.137   2.765
  688    HB   VAL  86           HB       VAL  86  17.213  -4.136   4.051
  689   1HG1  VAL  86          1HG1      VAL  86  17.893  -2.572   2.157
  690   2HG1  VAL  86          2HG1      VAL  86  16.717  -1.442   2.831
  691   3HG1  VAL  86          3HG1      VAL  86  18.083  -1.979   3.811
  692   1HG2  VAL  86          1HG2      VAL  86  14.755  -2.398   4.117
  693   2HG2  VAL  86          2HG2      VAL  86  15.100  -3.817   5.105
  694   3HG2  VAL  86          3HG2      VAL  86  16.032  -2.339   5.330
  695    H    VAL  87           H        VAL  87  13.401  -4.388   3.042
  696    HA   VAL  87           HA       VAL  87  12.531  -2.341   1.107
  697    HB   VAL  87           HB       VAL  87  10.222  -3.373   1.514
  698   1HG1  VAL  87          1HG1      VAL  87  12.479  -4.581   0.006
  699   2HG1  VAL  87          2HG1      VAL  87  10.957  -5.471   0.080
  700   3HG1  VAL  87          3HG1      VAL  87  10.992  -3.837  -0.584
  701   1HG2  VAL  87          1HG2      VAL  87  11.967  -5.478   2.773
  702   2HG2  VAL  87          2HG2      VAL  87  10.574  -4.656   3.476
  703   3HG2  VAL  87          3HG2      VAL  87  10.346  -5.812   2.165
  704    H    PHE  88           H        PHE  88  11.240  -0.628   1.819
  705    HA   PHE  88           HA       PHE  88  11.080  -0.375   4.754
  706   1HB   PHE  88          2HB       PHE  88  12.846   1.015   3.502
  707   2HB   PHE  88          3HB       PHE  88  11.492   1.960   2.892
  708    HD1  PHE  88           HD1      PHE  88  12.193   0.498   6.256
  709    HD2  PHE  88           HD2      PHE  88  11.525   4.016   3.950
  710    HE1  PHE  88           HE1      PHE  88  12.152   1.837   8.312
  711    HE2  PHE  88           HE2      PHE  88  11.483   5.355   6.006
  712    HZ   PHE  88           HZ       PHE  88  11.796   4.267   8.190
  713    H    CYS  89           H        CYS  89   9.300   0.438   5.678
  714    HA   CYS  89           HA       CYS  89   7.271   1.392   5.984
  715   1HB   CYS  89          2HB       CYS  89   7.829   2.818   3.901
  716   2HB   CYS  89          3HB       CYS  89   6.780   1.695   3.039
  717    H    LYS  90           H        LYS  90   6.520  -0.499   6.798
  718    HA   LYS  90           HA       LYS  90   5.184  -2.334   4.944
  719   1HB   LYS  90          2HB       LYS  90   4.988  -3.746   7.113
  720   2HB   LYS  90          3HB       LYS  90   6.541  -3.634   6.300
  721   1HG   LYS  90          2HG       LYS  90   7.432  -2.995   8.217
  722   2HG   LYS  90          3HG       LYS  90   6.490  -1.507   8.115
  723   1HD   LYS  90          2HD       LYS  90   5.507  -2.153  10.011
  724   2HD   LYS  90          3HD       LYS  90   4.676  -3.373   9.047
  725   1HE   LYS  90          2HE       LYS  90   5.613  -4.648  10.725
  726   2HE   LYS  90          3HE       LYS  90   6.824  -4.780   9.452
  727   1HZ   LYS  90          HZ1       LYS  90   6.941  -2.867  11.725
  728   2HZ   LYS  90          HZ2       LYS  90   7.794  -4.329  11.650
  729   3HZ   LYS  90          HZ3       LYS  90   8.132  -3.092  10.536
  730    H    THR  91           H        THR  91   4.571  -0.014   7.440
  731    HA   THR  91           HA       THR  91   1.927  -0.989   8.013
  732    HB   THR  91           HB       THR  91   2.303   1.593   9.108
  733    HG1  THR  91           HG1      THR  91   4.345   1.572   9.832
  734   1HG2  THR  91          1HG2      THR  91   1.712  -1.066   9.930
  735   2HG2  THR  91          2HG2      THR  91   2.976  -0.434  10.985
  736   3HG2  THR  91          3HG2      THR  91   1.452   0.438  10.813
  737    H    ALA  92           H        ALA  92   2.246  -0.190   5.285
  738    HA   ALA  92           HA       ALA  92  -0.106   1.363   5.000
  739   1HB   ALA  92          1HB       ALA  92   1.692   3.122   5.475
  740   2HB   ALA  92          2HB       ALA  92   2.318   2.738   3.871
  741   3HB   ALA  92          3HB       ALA  92   0.679   3.364   4.051
  742    H    ALA  93           H        ALA  93   2.755   1.297   2.911
  743    HA   ALA  93           HA       ALA  93   1.263   0.267   0.693
  744   1HB   ALA  93          1HB       ALA  93   4.219   0.727   1.064
  745   2HB   ALA  93          2HB       ALA  93   3.463   0.245  -0.456
  746   3HB   ALA  93          3HB       ALA  93   3.065   1.803   0.273
  747    H    ARG  94           H        ARG  94   3.204  -1.044   3.213
  748    HA   ARG  94           HA       ARG  94   3.512  -3.155   3.968
  749   1HB   ARG  94          2HB       ARG  94   1.193  -3.522   2.865
  750   2HB   ARG  94          3HB       ARG  94   2.097  -4.319   1.589
  751   1HG   ARG  94          2HG       ARG  94   1.080  -5.631   3.655
  752   2HG   ARG  94          3HG       ARG  94   2.575  -6.126   2.864
  753   1HD   ARG  94          2HD       ARG  94   3.383  -6.119   4.964
  754   2HD   ARG  94          3HD       ARG  94   3.546  -4.387   4.684
  755    HE   ARG  94           HE       ARG  94   1.611  -4.014   5.988
  756   1HH1  ARG  94          1HH1      ARG  94   2.577  -7.380   5.903
  757   2HH1  ARG  94          2HH1      ARG  94   1.686  -7.813   7.324
  758   1HH2  ARG  94          1HH2      ARG  94   0.430  -4.579   7.875
  759   2HH2  ARG  94          2HH2      ARG  94   0.456  -6.211   8.450
  760    H    ALA  95           H        ALA  95   5.692  -2.623   3.453
  761    HA   ALA  95           HA       ALA  95   7.038  -3.281   1.092
  762   1HB   ALA  95          1HB       ALA  95   7.985  -1.898   2.901
  763   2HB   ALA  95          2HB       ALA  95   8.113  -3.334   3.917
  764   3HB   ALA  95          3HB       ALA  95   9.062  -3.213   2.434
  765    H    ALA  96           H        ALA  96   5.713  -5.292   3.524
  766    HA   ALA  96           HA       ALA  96   7.329  -7.573   3.357
  767   1HB   ALA  96          1HB       ALA  96   5.063  -6.885   4.745
  768   2HB   ALA  96          2HB       ALA  96   4.491  -8.159   3.667
  769   3HB   ALA  96          3HB       ALA  96   5.842  -8.467   4.760
  770    H    LEU  97           H        LEU  97   4.734  -6.406   1.284
  771    HA   LEU  97           HA       LEU  97   4.525  -8.797  -0.274
  772   1HB   LEU  97          2HB       LEU  97   3.439  -6.061  -0.410
  773   2HB   LEU  97          3HB       LEU  97   3.687  -6.828  -1.972
  774    HG   LEU  97           HG       LEU  97   1.392  -7.115  -1.099
  775   1HD1  LEU  97          1HD1      LEU  97   3.078  -9.581  -1.449
  776   2HD1  LEU  97          2HD1      LEU  97   1.313  -9.602  -1.397
  777   3HD1  LEU  97          3HD1      LEU  97   2.150  -8.717  -2.677
  778   1HD2  LEU  97          1HD2      LEU  97   2.847  -8.507   1.126
  779   2HD2  LEU  97          2HD2      LEU  97   1.627  -7.238   1.227
  780   3HD2  LEU  97          3HD2      LEU  97   1.164  -8.868   0.742
  781    H    ALA  98           H        ALA  98   6.487  -5.922  -0.355
  782    HA   ALA  98           HA       ALA  98   7.511  -6.290  -2.977
  783   1HB   ALA  98          1HB       ALA  98   7.477  -4.239  -1.170
  784   2HB   ALA  98          2HB       ALA  98   9.168  -4.739  -1.142
  785   3HB   ALA  98          3HB       ALA  98   8.413  -4.269  -2.664
  786    H    GLY  99           H        GLY  99   8.629  -7.137   0.252
  787   1HA   GLY  99          1HA       GLY  99  11.184  -8.030  -0.801
  788   2HA   GLY  99          2HA       GLY  99  10.727  -7.941   0.891
  789    H    LYS 100           H        LYS 100   8.450  -9.522   0.911
  790    HA   LYS 100           HA       LYS 100   9.636 -12.017   1.227
  791   1HB   LYS 100          2HB       LYS 100   7.733 -12.572   2.275
  792   2HB   LYS 100          3HB       LYS 100   7.265 -10.900   2.014
  793   1HG   LYS 100          2HG       LYS 100   5.563 -11.522   0.739
  794   2HG   LYS 100          3HG       LYS 100   6.623 -12.479  -0.297
  795   1HD   LYS 100          2HD       LYS 100   6.214 -13.790   2.236
  796   2HD   LYS 100          3HD       LYS 100   4.669 -13.421   1.467
  797   1HE   LYS 100          2HE       LYS 100   4.944 -15.140   0.087
  798   2HE   LYS 100          3HE       LYS 100   6.423 -14.405  -0.532
  799   1HZ   LYS 100          HZ1       LYS 100   7.488 -15.431   1.559
  800   2HZ   LYS 100          HZ2       LYS 100   6.114 -16.417   1.597
  801   3HZ   LYS 100          HZ3       LYS 100   7.132 -16.445   0.242
  802    H    THR 101           H        THR 101   8.198 -10.602  -1.562
  803    HA   THR 101           HA       THR 101   7.763 -12.980  -3.067
  804    HB   THR 101           HB       THR 101   8.137 -11.050  -4.891
  805    HG1  THR 101           HG1      THR 101   7.002  -9.307  -3.220
  806   1HG2  THR 101          1HG2      THR 101   5.786 -11.744  -3.194
  807   2HG2  THR 101          2HG2      THR 101   5.659 -10.388  -4.315
  808   3HG2  THR 101          3HG2      THR 101   6.032 -12.001  -4.922
  809    H    LEU 102           H        LEU 102  10.224 -10.447  -3.008
  810    HA   LEU 102           HA       LEU 102  11.802 -11.286  -5.065
  811   1HB   LEU 102          2HB       LEU 102  12.391  -9.737  -2.579
  812   2HB   LEU 102          3HB       LEU 102  13.694 -10.144  -3.680
  813    HG   LEU 102           HG       LEU 102  11.269  -8.455  -4.275
  814   1HD1  LEU 102          1HD1      LEU 102  13.057  -7.319  -3.070
  815   2HD1  LEU 102          2HD1      LEU 102  14.224  -7.847  -4.284
  816   3HD1  LEU 102          3HD1      LEU 102  12.937  -6.724  -4.726
  817   1HD2  LEU 102          1HD2      LEU 102  13.391  -9.523  -6.132
  818   2HD2  LEU 102          2HD2      LEU 102  11.649  -9.797  -6.220
  819   3HD2  LEU 102          3HD2      LEU 102  12.306  -8.189  -6.532
  820    H    ARG 103           H        ARG 103  11.970 -12.335  -1.688
  821    HA   ARG 103           HA       ARG 103  14.367 -13.817  -1.974
  822   1HB   ARG 103          2HB       ARG 103  13.797 -14.863   0.155
  823   2HB   ARG 103          3HB       ARG 103  13.542 -13.126   0.221
  824   1HG   ARG 103          2HG       ARG 103  11.280 -13.324   0.413
  825   2HG   ARG 103          3HG       ARG 103  11.227 -14.853  -0.466
  826   1HD   ARG 103          2HD       ARG 103  12.444 -14.575   2.271
  827   2HD   ARG 103          3HD       ARG 103  10.745 -14.969   2.015
  828    HE   ARG 103           HE       ARG 103  12.926 -16.646   0.932
  829   1HH1  ARG 103          1HH1      ARG 103   9.897 -16.282   2.673
  830   2HH1  ARG 103          2HH1      ARG 103   9.689 -17.997   2.896
  831   1HH2  ARG 103          1HH2      ARG 103  12.627 -18.892   1.215
  832   2HH2  ARG 103          2HH2      ARG 103  11.231 -19.471   2.077
  833    H    GLU 104           H        GLU 104  11.057 -14.519  -2.734
  834    HA   GLU 104           HA       GLU 104  11.435 -17.361  -3.090
  835   1HB   GLU 104          2HB       GLU 104   9.228 -15.736  -4.334
  836   2HB   GLU 104          3HB       GLU 104   9.211 -17.432  -3.873
  837   1HG   GLU 104          2HG       GLU 104   9.652 -16.286  -1.480
  838   2HG   GLU 104          3HG       GLU 104   8.712 -15.023  -2.273
  839    H    TYR 105           H        TYR 105  12.434 -14.667  -4.737
  840    HA   TYR 105           HA       TYR 105  12.427 -16.051  -7.328
  841   1HB   TYR 105          HB2       TYR 105  13.051 -13.140  -6.789
  842   2HB   TYR 105          HB3       TYR 105  12.883 -13.903  -8.366
  843    HD1  TYR 105           HD1      TYR 105  10.428 -15.596  -7.701
  844    HD2  TYR 105           HD2      TYR 105  11.338 -11.503  -6.981
  845    HE1  TYR 105           HE1      TYR 105   8.025 -15.072  -7.676
  846    HE2  TYR 105           HE2      TYR 105   8.936 -10.977  -6.952
  847    HH   TYR 105           HH       TYR 105   6.872 -11.842  -6.872
  848    H    GLY 106           H        GLY 106  14.282 -15.673  -4.652
  849   1HA   GLY 106          1HA       GLY 106  16.316 -17.065  -4.878
  850   2HA   GLY 106          2HA       GLY 106  16.742 -16.049  -6.242
  851    H    PHE 107           H        PHE 107  15.557 -13.803  -4.350
  852    HA   PHE 107           HA       PHE 107  18.038 -12.737  -3.660
  853   1HB   PHE 107          2HB       PHE 107  15.224 -12.084  -2.863
  854   2HB   PHE 107          3HB       PHE 107  16.570 -11.259  -2.081
  855    HD1  PHE 107           HD1      PHE 107  15.240 -12.075  -5.462
  856    HD2  PHE 107           HD2      PHE 107  17.455  -9.362  -3.051
  857    HE1  PHE 107           HE1      PHE 107  15.384 -10.515  -7.358
  858    HE2  PHE 107           HE2      PHE 107  17.602  -7.797  -4.942
  859    HZ   PHE 107           HZ       PHE 107  16.565  -8.372  -7.100
  860    H    LYS 108           H        LYS 108  19.410 -13.519  -2.306
  861    HA   LYS 108           HA       LYS 108  18.839 -15.491  -0.427
  862   1HB   LYS 108          2HB       LYS 108  21.308 -13.758  -0.526
  863   2HB   LYS 108          3HB       LYS 108  21.173 -15.347   0.209
  864   1HG   LYS 108          2HG       LYS 108  20.735 -16.314  -2.006
  865   2HG   LYS 108          3HG       LYS 108  20.938 -14.715  -2.724
  866   1HD   LYS 108          2HD       LYS 108  23.086 -15.924  -1.014
  867   2HD   LYS 108          3HD       LYS 108  22.946 -16.337  -2.724
  868   1HE   LYS 108          2HE       LYS 108  23.419 -14.168  -3.415
  869   2HE   LYS 108          3HE       LYS 108  23.000 -13.474  -1.849
  870   1HZ   LYS 108          HZ1       LYS 108  24.990 -14.604  -0.931
  871   2HZ   LYS 108          HZ2       LYS 108  25.415 -15.073  -2.505
  872   3HZ   LYS 108          HZ3       LYS 108  25.357 -13.426  -2.098
  873    H    THR 109           H        THR 109  19.776 -12.097   0.156
  874    HA   THR 109           HA       THR 109  18.831 -12.448   2.917
  875    HB   THR 109           HB       THR 109  20.912 -10.424   2.150
  876    HG1  THR 109           HG1      THR 109  21.327 -13.180   2.786
  877   1HG2  THR 109          1HG2      THR 109  19.715 -11.466   4.593
  878   2HG2  THR 109          2HG2      THR 109  21.479 -11.514   4.628
  879   3HG2  THR 109          3HG2      THR 109  20.643  -9.989   4.333
  880    H    ILE 110           H        ILE 110  16.872 -11.581   2.909
  881    HA   ILE 110           HA       ILE 110  16.581  -8.855   1.845
  882    HB   ILE 110           HB       ILE 110  15.375 -10.752   0.639
  883   1HG1  ILE 110          2HG1      ILE 110  13.238  -8.899   1.391
  884   2HG1  ILE 110          3HG1      ILE 110  14.760  -8.110   0.983
  885   1HG2  ILE 110          1HG2      ILE 110  14.311 -11.171   3.244
  886   2HG2  ILE 110          2HG2      ILE 110  12.997 -10.735   2.152
  887   3HG2  ILE 110          3HG2      ILE 110  14.044 -12.102   1.771
  888   1HD1  ILE 110          1HD1      ILE 110  14.196 -10.171  -0.917
  889   2HD1  ILE 110          2HD1      ILE 110  12.812  -9.088  -0.763
  890   3HD1  ILE 110          3HD1      ILE 110  14.400  -8.436  -1.168
  891    H    TYR 111           H        TYR 111  15.869  -7.299   3.194
  892    HA   TYR 111           HA       TYR 111  15.073  -8.152   5.898
  893   1HB   TYR 111          HB2       TYR 111  16.166  -5.435   5.183
  894   2HB   TYR 111          HB3       TYR 111  16.075  -6.186   6.767
  895    HD1  TYR 111           HD1      TYR 111  17.906  -6.130   3.564
  896    HD2  TYR 111           HD2      TYR 111  17.811  -7.645   7.544
  897    HE1  TYR 111           HE1      TYR 111  20.245  -6.861   3.339
  898    HE2  TYR 111           HE2      TYR 111  20.146  -8.378   7.327
  899    HH   TYR 111           HH       TYR 111  21.874  -8.612   5.978
  900    H    ASN 112           H        ASN 112  13.296  -7.257   6.877
  901    HA   ASN 112           HA       ASN 112  11.663  -5.419   5.241
  902   1HB   ASN 112          2HB       ASN 112  10.760  -7.802   5.855
  903   2HB   ASN 112          3HB       ASN 112  10.513  -7.100   7.449
  904   1HD2  ASN 112          1HD2      ASN 112   8.520  -8.107   5.678
  905   2HD2  ASN 112          2HD2      ASN 112   7.467  -6.783   5.305
  906    H    SER 113           H        SER 113  10.847  -3.623   6.262
  907    HA   SER 113           HA       SER 113  12.499  -2.671   8.351
  908   1HB   SER 113          2HB       SER 113  10.521  -0.781   7.979
  909   2HB   SER 113          3HB       SER 113  12.036  -0.874   7.081
  910    HG   SER 113           HG       SER 113  11.017  -1.901   5.440
  911    H    GLU 114           H        GLU 114  12.163  -2.511  10.452
  912    HA   GLU 114           HA       GLU 114   9.706  -3.421  11.649
  913   1HB   GLU 114          2HB       GLU 114  12.339  -3.145  12.543
  914   2HB   GLU 114          3HB       GLU 114  11.442  -1.922  13.434
  915   1HG   GLU 114          2HG       GLU 114  11.251  -4.878  13.547
  916   2HG   GLU 114          3HG       GLU 114  11.181  -3.686  14.844
  917    H    GLY 115           H        GLY 115   9.112  -1.692  13.626
  918   1HA   GLY 115          1HA       GLY 115   7.766   0.141  13.987
  919   2HA   GLY 115          2HA       GLY 115   9.157   0.991  13.335
  920    H    GLY 116           H        GLY 116   8.977   2.033  11.474
  921   1HA   GLY 116          1HA       GLY 116   7.279   1.385   9.346
  922   2HA   GLY 116          2HA       GLY 116   6.497   2.627  10.322
  923    H    MET 117           H        MET 117   6.744   3.934   8.326
  924    HA   MET 117           HA       MET 117   9.370   4.764   7.521
  925   1HB   MET 117          2HB       MET 117   6.770   5.063   6.512
  926   2HB   MET 117          3HB       MET 117   7.299   6.693   6.908
  927   1HG   MET 117          2HG       MET 117   9.050   4.857   5.328
  928   2HG   MET 117          3HG       MET 117   7.755   5.768   4.554
  929   1HE   MET 117          1HE       MET 117   8.526   7.230   3.132
  930   2HE   MET 117          2HE       MET 117   9.657   8.563   3.358
  931   3HE   MET 117          3HE       MET 117  10.262   6.935   3.054
  932    H    ASP 118           H        ASP 118   7.019   5.753   9.861
  933    HA   ASP 118           HA       ASP 118   7.906   8.335  10.447
  934   1HB   ASP 118          2HB       ASP 118   6.374   8.269  12.108
  935   2HB   ASP 118          3HB       ASP 118   5.893   6.750  11.365
  936    H    LYS 119           H        LYS 119   9.143   5.188  11.412
  937    HA   LYS 119           HA       LYS 119  10.807   6.085  13.491
  938   1HB   LYS 119          2HB       LYS 119  10.298   3.609  12.077
  939   2HB   LYS 119          3HB       LYS 119  12.011   3.811  12.421
  940   1HG   LYS 119          2HG       LYS 119  11.439   2.831  14.363
  941   2HG   LYS 119          3HG       LYS 119  10.996   4.481  14.812
  942   1HD   LYS 119          2HD       LYS 119   8.726   3.672  13.592
  943   2HD   LYS 119          3HD       LYS 119   9.293   2.140  14.260
  944   1HE   LYS 119          2HE       LYS 119   8.038   2.934  16.007
  945   2HE   LYS 119          3HE       LYS 119   9.629   3.567  16.431
  946   1HZ   LYS 119          HZ1       LYS 119   7.930   5.254  14.756
  947   2HZ   LYS 119          HZ2       LYS 119   7.477   5.076  16.384
  948   3HZ   LYS 119          HZ3       LYS 119   9.014   5.680  15.995
  949    H    TRP 120           H        TRP 120  11.250   5.928  10.010
  950    HA   TRP 120           HA       TRP 120  14.060   6.207   9.986
  951   1HB   TRP 120          HB2       TRP 120  12.467   5.672   8.016
  952   2HB   TRP 120          HB3       TRP 120  12.263   7.417   7.889
  953    HD1  TRP 120           HD1      TRP 120  14.275   8.820   6.949
  954    HE1  TRP 120           HE1      TRP 120  16.445   8.202   5.718
  955    HE3  TRP 120           HE3      TRP 120  14.277   3.777   7.796
  956    HZ2  TRP 120           HZ2      TRP 120  17.940   5.883   5.152
  957    HZ3  TRP 120           HZ3      TRP 120  16.112   2.429   6.859
  958    HH2  TRP 120           HH2      TRP 120  17.903   3.464   5.562
  959    H    LEU 121           H        LEU 121  11.483   8.697   9.658
  960    HA   LEU 121           HA       LEU 121  13.203  10.909   9.788
  961   1HB   LEU 121          2HB       LEU 121  10.281  10.438  10.217
  962   2HB   LEU 121          3HB       LEU 121  10.963  11.981  10.686
  963    HG   LEU 121           HG       LEU 121  11.204  10.872   7.884
  964   1HD1  LEU 121          1HD1      LEU 121   9.001  12.354   9.220
  965   2HD1  LEU 121          2HD1      LEU 121   9.407  12.751   7.549
  966   3HD1  LEU 121          3HD1      LEU 121   8.940  11.104   7.975
  967   1HD2  LEU 121          1HD2      LEU 121  12.537  12.938   9.127
  968   2HD2  LEU 121          2HD2      LEU 121  12.315  12.746   7.389
  969   3HD2  LEU 121          3HD2      LEU 121  11.201  13.753   8.313
  970    H    GLU 122           H        GLU 122  11.394   9.157  12.289
  971    HA   GLU 122           HA       GLU 122  11.927  11.015  14.338
  972   1HB   GLU 122          2HB       GLU 122  10.628   9.701  15.671
  973   2HB   GLU 122          3HB       GLU 122  10.139   9.083  14.102
  974   1HG   GLU 122          2HG       GLU 122  10.986   7.055  14.501
  975   2HG   GLU 122          3HG       GLU 122  12.437   7.701  15.269
  976    H    GLU 123           H        GLU 123  13.695   8.165  13.295
  977    HA   GLU 123           HA       GLU 123  15.365   8.125  15.641
  978   1HB   GLU 123          2HB       GLU 123  15.328   6.607  13.053
  979   2HB   GLU 123          3HB       GLU 123  16.721   6.503  14.121
  980   1HG   GLU 123          2HG       GLU 123  13.975   6.004  15.184
  981   2HG   GLU 123          3HG       GLU 123  14.830   4.746  14.293
  982    H    GLY 124           H        GLY 124  15.205  10.286  13.256
  983   1HA   GLY 124          1HA       GLY 124  16.635  11.975  12.640
  984   2HA   GLY 124          2HA       GLY 124  17.795  11.333  13.794
  985    H    LEU 125           H        LEU 125  16.517   9.287  11.321
  986    HA   LEU 125           HA       LEU 125  19.127   8.792  10.264
  987   1HB   LEU 125          2HB       LEU 125  16.366   7.863   9.500
  988   2HB   LEU 125          3HB       LEU 125  17.793   7.394   8.596
  989    HG   LEU 125           HG       LEU 125  17.288   6.789  11.512
  990   1HD1  LEU 125          1HD1      LEU 125  16.534   5.457   9.068
  991   2HD1  LEU 125          2HD1      LEU 125  17.571   4.440  10.070
  992   3HD1  LEU 125          3HD1      LEU 125  16.079   5.102  10.736
  993   1HD2  LEU 125          1HD2      LEU 125  19.643   6.441   9.728
  994   2HD2  LEU 125          2HD2      LEU 125  19.575   6.817  11.449
  995   3HD2  LEU 125          3HD2      LEU 125  19.283   5.168  10.895
  996    HA   PRO 126           HA       PRO 126  19.384  11.628   6.903
  997   1HB   PRO 126          2HB       PRO 126  20.015  10.032   4.769
  998   2HB   PRO 126          3HB       PRO 126  21.179  10.493   6.018
  999   1HG   PRO 126          2HG       PRO 126  19.547   7.977   5.785
 1000   2HG   PRO 126          3HG       PRO 126  21.285   8.156   6.138
 1001   1HD   PRO 126          2HD       PRO 126  19.558   7.723   8.111
 1002   2HD   PRO 126          3HD       PRO 126  20.883   8.890   8.323
 1003    H    SER 127           H        SER 127  17.503  12.567   6.202
 1004    HA   SER 127           HA       SER 127  15.813  10.972   4.424
 1005   1HB   SER 127          2HB       SER 127  14.078  12.714   5.741
 1006   2HB   SER 127          3HB       SER 127  14.221  10.976   6.022
 1007    HG   SER 127           HG       SER 127  15.900  11.523   7.578
 1008    H    LEU 128           H        LEU 128  14.712  12.189   2.841
 1009    HA   LEU 128           HA       LEU 128  15.963  14.788   2.306
 1010   1HB   LEU 128          2HB       LEU 128  14.544  12.843   0.485
 1011   2HB   LEU 128          3HB       LEU 128  15.124  14.419  -0.020
 1012    HG   LEU 128           HG       LEU 128  17.113  12.614   1.232
 1013   1HD1  LEU 128          1HD1      LEU 128  16.013  12.165  -1.538
 1014   2HD1  LEU 128          2HD1      LEU 128  17.480  11.430  -0.891
 1015   3HD1  LEU 128          3HD1      LEU 128  15.914  11.052  -0.173
 1016   1HD2  LEU 128          1HD2      LEU 128  17.023  14.718  -0.888
 1017   2HD2  LEU 128          2HD2      LEU 128  18.042  14.614   0.546
 1018   3HD2  LEU 128          3HD2      LEU 128  18.363  13.574  -0.841
 1019    H    ASP 129           H        ASP 129  14.774  16.298   3.230
 1020    HA   ASP 129           HA       ASP 129  11.944  16.474   2.468
 1021   1HB   ASP 129          2HB       ASP 129  11.537  16.182   4.696
 1022   2HB   ASP 129          3HB       ASP 129  13.171  16.632   5.160
 1023    H    ARG 130           H        ARG 130  11.504  18.274   1.398
 1024    HA   ARG 130           HA       ARG 130  13.642  20.005   0.708
 1025   1HB   ARG 130          2HB       ARG 130  11.197  19.265  -0.416
 1026   2HB   ARG 130          3HB       ARG 130  11.061  20.997  -0.145
 1027   1HG   ARG 130          2HG       ARG 130  12.816  21.485  -1.575
 1028   2HG   ARG 130          3HG       ARG 130  13.484  19.853  -1.468
 1029   1HD   ARG 130          2HD       ARG 130  12.390  19.321  -3.323
 1030   2HD   ARG 130          3HD       ARG 130  10.870  19.592  -2.475
 1031    HE   ARG 130           HE       ARG 130  12.270  21.524  -4.190
 1032   1HH1  ARG 130          1HH1      ARG 130   9.453  20.635  -2.310
 1033   2HH1  ARG 130          2HH1      ARG 130   8.458  21.902  -2.960
 1034   1HH2  ARG 130          1HH2      ARG 130  10.984  23.170  -5.051
 1035   2HH2  ARG 130          2HH2      ARG 130   9.324  23.342  -4.545
 1036    H    SER 131           H        SER 131  13.330  20.312   3.387
 1037    HA   SER 131           HA       SER 131  13.124  21.827   5.068
 1038   1HB   SER 131          2HB       SER 131  13.467  23.971   2.995
 1039   2HB   SER 131          3HB       SER 131  14.169  23.860   4.610
 1040    HG   SER 131           HG       SER 131  15.429  22.084   3.839
 1041    H    HIS 132           H        HIS 132  11.006  21.574   5.677
 1042    HA   HIS 132           HA       HIS 132   8.891  23.167   4.510
 1043   1HB   HIS 132          2HB       HIS 132   9.115  21.228   6.787
 1044   2HB   HIS 132          3HB       HIS 132   7.739  22.323   6.729
 1045    HD1  HIS 132           HD1      HIS 132   9.378  19.584   4.656
 1046    HD2  HIS 132           HD2      HIS 132   5.721  21.537   5.082
 1047    HE1  HIS 132           HE1      HIS 132   7.753  18.321   3.211
 1048    HE2  HIS 132           HE2      HIS 132   5.519  19.394   3.659
 1049    H    HIS 133           H        HIS 133  10.216  25.155   4.777
 1050    HA   HIS 133           HA       HIS 133  10.037  26.231   7.518
 1051   1HB   HIS 133          2HB       HIS 133  12.324  25.738   6.146
 1052   2HB   HIS 133          3HB       HIS 133  12.020  27.406   5.671
 1053    HD1  HIS 133           HD1      HIS 133  12.511  29.212   7.369
 1054    HD2  HIS 133           HD2      HIS 133  12.731  25.375   8.962
 1055    HE1  HIS 133           HE1      HIS 133  13.490  29.484   9.667
 1056    HE2  HIS 133           HE2      HIS 133  13.855  27.135  10.495
 1057    H    HIS 134           H        HIS 134   9.062  26.651   4.288
 1058    HA   HIS 134           HA       HIS 134   8.649  29.528   4.606
 1059   1HB   HIS 134          2HB       HIS 134   9.130  27.836   2.379
 1060   2HB   HIS 134          3HB       HIS 134   7.523  28.528   2.169
 1061    HD1  HIS 134           HD1      HIS 134   9.052  29.632   0.094
 1062    HD2  HIS 134           HD2      HIS 134   9.569  31.108   3.949
 1063    HE1  HIS 134           HE1      HIS 134  10.104  31.904  -0.181
 1064    HE2  HIS 134           HE2      HIS 134  10.328  32.816   2.161
 1065    H    HIS 135           H        HIS 135   7.081  29.548   6.189
 1066    HA   HIS 135           HA       HIS 135   4.386  29.325   5.278
 1067   1HB   HIS 135          2HB       HIS 135   5.520  27.010   6.532
 1068   2HB   HIS 135          3HB       HIS 135   4.313  27.701   7.607
 1069    HD1  HIS 135           HD1      HIS 135   2.032  28.461   5.858
 1070    HD2  HIS 135           HD2      HIS 135   4.330  25.062   5.123
 1071    HE1  HIS 135           HE1      HIS 135   0.589  26.946   4.468
 1072    HE2  HIS 135           HE2      HIS 135   1.936  24.840   4.159
 1073    H    HIS 136           H        HIS 136   4.610  31.549   5.939
 1074    HA   HIS 136           HA       HIS 136   5.036  32.263   8.681
 1075   1HB   HIS 136          2HB       HIS 136   5.368  34.077   7.246
 1076   2HB   HIS 136          3HB       HIS 136   3.982  33.670   6.244
 1077    HD1  HIS 136           HD1      HIS 136   1.903  34.994   6.636
 1078    HD2  HIS 136           HD2      HIS 136   4.580  35.285   9.813
 1079    HE1  HIS 136           HE1      HIS 136   0.908  36.684   8.213
 1080    HE2  HIS 136           HE2      HIS 136   2.508  36.804  10.156
 1081    H    HIS 137           H        HIS 137   2.383  31.242   6.729
 1082    HA   HIS 137           HA       HIS 137   0.857  30.446   8.963
 1083   1HB   HIS 137          2HB       HIS 137   0.375  33.048   8.531
 1084   2HB   HIS 137          3HB       HIS 137  -0.702  32.382   7.306
 1085    HD1  HIS 137           HD1      HIS 137  -1.212  29.814   9.363
 1086    HD2  HIS 137           HD2      HIS 137  -1.976  33.864   9.946
 1087    HE1  HIS 137           HE1      HIS 137  -2.991  29.922  11.134
 1088    HE2  HIS 137           HE2      HIS 137  -3.388  32.379  11.530
 1089   1H    ALA   1           H1       ALA   1  22.769 -10.976 -12.434
 1090   2H    ALA   1           H2       ALA   1  24.008 -11.660 -13.371
 1091   3H    ALA   1           H3       ALA   1  24.380 -10.892 -11.905
 1092    HA   ALA   1           HA       ALA   1  24.570  -8.943 -12.861
 1093   1HB   ALA   1          1HB       ALA   1  24.215 -10.703 -15.251
 1094   2HB   ALA   1          2HB       ALA   1  24.366  -8.959 -15.456
 1095   3HB   ALA   1          3HB       ALA   1  25.659  -9.871 -14.678
 1096    H    ASP   2           H        ASP   2  21.858 -10.487 -14.595
 1097    HA   ASP   2           HA       ASP   2  20.057  -8.477 -13.553
 1098   1HB   ASP   2          2HB       ASP   2  20.437  -7.193 -15.432
 1099   2HB   ASP   2          3HB       ASP   2  20.847  -8.583 -16.433
 1100    H    MET   3           H        MET   3  18.423  -9.588 -12.822
 1101    HA   MET   3           HA       MET   3  17.468 -11.913 -14.360
 1102   1HB   MET   3          2HB       MET   3  18.380 -12.018 -11.806
 1103   2HB   MET   3          3HB       MET   3  16.677 -11.686 -11.521
 1104   1HG   MET   3          2HG       MET   3  16.549 -13.929 -11.562
 1105   2HG   MET   3          3HG       MET   3  16.420 -13.654 -13.298
 1106   1HE   MET   3          1HE       MET   3  17.019 -16.032 -11.599
 1107   2HE   MET   3          2HE       MET   3  17.893 -16.847 -12.899
 1108   3HE   MET   3          3HE       MET   3  18.698 -16.526 -11.364
 1109    H    GLY   4           H        GLY   4  16.885  -8.921 -14.368
 1110   1HA   GLY   4          1HA       GLY   4  14.450  -8.350 -13.177
 1111   2HA   GLY   4          2HA       GLY   4  15.092  -7.535 -14.591
 1112    H    GLU   5           H        GLU   5  15.045  -9.594 -16.427
 1113    HA   GLU   5           HA       GLU   5  12.310  -9.534 -17.211
 1114   1HB   GLU   5          2HB       GLU   5  14.527 -11.267 -18.309
 1115   2HB   GLU   5          3HB       GLU   5  13.007 -10.885 -19.107
 1116   1HG   GLU   5          2HG       GLU   5  13.677  -8.491 -19.103
 1117   2HG   GLU   5          3HG       GLU   5  15.243  -8.980 -18.457
 1118    H    LYS   6           H        LYS   6  14.318 -11.858 -15.582
 1119    HA   LYS   6           HA       LYS   6  12.648 -14.088 -15.993
 1120   1HB   LYS   6          2HB       LYS   6  14.752 -13.645 -13.875
 1121   2HB   LYS   6          3HB       LYS   6  14.044 -15.197 -14.305
 1122   1HG   LYS   6          2HG       LYS   6  15.740 -13.440 -16.069
 1123   2HG   LYS   6          3HG       LYS   6  16.204 -14.981 -15.344
 1124   1HD   LYS   6          2HD       LYS   6  15.175 -16.167 -16.945
 1125   2HD   LYS   6          3HD       LYS   6  13.752 -15.124 -16.926
 1126   1HE   LYS   6          2HE       LYS   6  14.423 -14.295 -18.878
 1127   2HE   LYS   6          3HE       LYS   6  15.790 -13.570 -18.035
 1128   1HZ   LYS   6          HZ1       LYS   6  15.842 -16.348 -19.075
 1129   2HZ   LYS   6          HZ2       LYS   6  16.351 -15.013 -19.994
 1130   3HZ   LYS   6          HZ3       LYS   6  17.149 -15.406 -18.548
 1131    H    PHE   7           H        PHE   7  13.076 -12.059 -13.035
 1132    HA   PHE   7           HA       PHE   7  10.919 -13.537 -11.827
 1133   1HB   PHE   7          2HB       PHE   7  11.247 -11.915  -9.883
 1134   2HB   PHE   7          3HB       PHE   7  12.538 -13.045 -10.244
 1135    HD1  PHE   7           HD1      PHE   7  11.701  -9.712 -11.720
 1136    HD2  PHE   7           HD2      PHE   7  14.487 -12.091  -9.559
 1137    HE1  PHE   7           HE1      PHE   7  13.297  -7.840 -11.715
 1138    HE2  PHE   7           HE2      PHE   7  16.089 -10.229  -9.560
 1139    HZ   PHE   7           HZ       PHE   7  15.495  -8.096 -10.633
 1140    H    ASP   8           H        ASP   8  11.182 -10.594 -13.554
 1141    HA   ASP   8           HA       ASP   8   9.066  -9.087 -12.583
 1142   1HB   ASP   8          2HB       ASP   8  10.511  -8.227 -14.345
 1143   2HB   ASP   8          3HB       ASP   8   9.911  -9.436 -15.471
 1144    H    ALA   9           H        ALA   9   8.963 -11.703 -14.967
 1145    HA   ALA   9           HA       ALA   9   6.189 -11.699 -15.424
 1146   1HB   ALA   9          1HB       ALA   9   8.182 -13.953 -15.606
 1147   2HB   ALA   9          2HB       ALA   9   6.539 -13.997 -16.245
 1148   3HB   ALA   9          3HB       ALA   9   7.709 -12.853 -16.902
 1149    H    THR  10           H        THR  10   8.177 -13.330 -12.969
 1150    HA   THR  10           HA       THR  10   6.051 -14.891 -11.913
 1151    HB   THR  10           HB       THR  10   8.359 -14.145 -10.187
 1152    HG1  THR  10           HG1      THR  10   8.522 -15.582 -12.644
 1153   1HG2  THR  10          1HG2      THR  10   6.867 -16.681 -10.862
 1154   2HG2  THR  10          2HG2      THR  10   8.337 -16.665  -9.888
 1155   3HG2  THR  10          3HG2      THR  10   6.898 -15.816  -9.325
 1156    H    PHE  11           H        PHE  11   7.571 -11.828 -10.879
 1157    HA   PHE  11           HA       PHE  11   6.058 -11.409  -8.571
 1158   1HB   PHE  11          2HB       PHE  11   8.044 -10.028  -9.752
 1159   2HB   PHE  11          3HB       PHE  11   6.680  -9.023 -10.238
 1160    HD1  PHE  11           HD1      PHE  11   4.915  -8.901  -8.050
 1161    HD2  PHE  11           HD2      PHE  11   9.167  -9.110  -7.981
 1162    HE1  PHE  11           HE1      PHE  11   4.931  -7.849  -5.818
 1163    HE2  PHE  11           HE2      PHE  11   9.188  -8.062  -5.758
 1164    HZ   PHE  11           HZ       PHE  11   7.075  -7.441  -4.670
 1165    H    LYS  12           H        LYS  12   5.421 -10.574 -11.909
 1166    HA   LYS  12           HA       LYS  12   2.926  -9.290 -11.497
 1167   1HB   LYS  12          2HB       LYS  12   4.377  -9.091 -13.533
 1168   2HB   LYS  12          3HB       LYS  12   3.888 -10.720 -13.970
 1169   1HG   LYS  12          2HG       LYS  12   2.514  -9.304 -15.229
 1170   2HG   LYS  12          3HG       LYS  12   1.499  -9.860 -13.893
 1171   1HD   LYS  12          2HD       LYS  12   1.078  -7.572 -13.981
 1172   2HD   LYS  12          3HD       LYS  12   2.279  -7.719 -12.695
 1173   1HE   LYS  12          2HE       LYS  12   3.378  -7.351 -15.397
 1174   2HE   LYS  12          3HE       LYS  12   2.453  -5.986 -14.776
 1175   1HZ   LYS  12          HZ1       LYS  12   4.680  -7.290 -13.318
 1176   2HZ   LYS  12          HZ2       LYS  12   4.844  -5.883 -14.246
 1177   3HZ   LYS  12          HZ3       LYS  12   3.855  -5.884 -12.861
 1178    H    ALA  13           H        ALA  13   3.890 -12.615 -11.690
 1179    HA   ALA  13           HA       ALA  13   1.284 -13.680 -12.268
 1180   1HB   ALA  13          1HB       ALA  13   3.785 -14.990 -11.207
 1181   2HB   ALA  13          2HB       ALA  13   2.317 -15.851 -11.675
 1182   3HB   ALA  13          3HB       ALA  13   3.234 -14.953 -12.884
 1183    H    GLN  14           H        GLN  14   3.319 -13.447  -9.383
 1184    HA   GLN  14           HA       GLN  14   1.467 -14.594  -7.573
 1185   1HB   GLN  14          2HB       GLN  14   3.718 -12.629  -7.106
 1186   2HB   GLN  14          3HB       GLN  14   2.822 -13.418  -5.819
 1187   1HG   GLN  14          2HG       GLN  14   3.735 -15.436  -7.580
 1188   2HG   GLN  14          3HG       GLN  14   5.088 -14.355  -7.249
 1189   1HE2  GLN  14          1HE2      GLN  14   6.292 -15.140  -5.679
 1190   2HE2  GLN  14          2HE2      GLN  14   5.731 -15.911  -4.230
 1191    H    VAL  15           H        VAL  15   2.270 -11.234  -8.288
 1192    HA   VAL  15           HA       VAL  15   0.405 -10.107  -6.542
 1193    HB   VAL  15           HB       VAL  15   2.461  -9.178  -8.170
 1194   1HG1  VAL  15          1HG1      VAL  15   0.169  -8.660  -9.613
 1195   2HG1  VAL  15          2HG1      VAL  15   0.476  -7.148  -8.761
 1196   3HG1  VAL  15          3HG1      VAL  15   1.723  -7.846  -9.791
 1197   1HG2  VAL  15          1HG2      VAL  15   0.575  -7.741  -6.315
 1198   2HG2  VAL  15          2HG2      VAL  15   2.128  -8.474  -5.913
 1199   3HG2  VAL  15          3HG2      VAL  15   2.069  -7.042  -6.940
 1200    H    LYS  16           H        LYS  16   0.076 -11.115  -9.893
 1201    HA   LYS  16           HA       LYS  16  -2.367  -9.779 -10.437
 1202   1HB   LYS  16          2HB       LYS  16  -0.770 -10.900 -12.101
 1203   2HB   LYS  16          3HB       LYS  16  -1.551 -12.409 -11.656
 1204   1HG   LYS  16          2HG       LYS  16  -3.735 -11.320 -12.311
 1205   2HG   LYS  16          3HG       LYS  16  -2.764 -10.024 -13.014
 1206   1HD   LYS  16          2HD       LYS  16  -2.317 -12.911 -13.724
 1207   2HD   LYS  16          3HD       LYS  16  -3.506 -11.919 -14.569
 1208   1HE   LYS  16          2HE       LYS  16  -0.968 -10.557 -14.349
 1209   2HE   LYS  16          3HE       LYS  16  -0.783 -12.130 -15.124
 1210   1HZ   LYS  16          HZ1       LYS  16  -2.914 -10.276 -15.979
 1211   2HZ   LYS  16          HZ2       LYS  16  -1.331 -10.100 -16.565
 1212   3HZ   LYS  16          HZ3       LYS  16  -2.183 -11.542 -16.847
 1213    H    ALA  17           H        ALA  17  -1.596 -12.962  -9.123
 1214    HA   ALA  17           HA       ALA  17  -4.135 -14.099  -9.140
 1215   1HB   ALA  17          1HB       ALA  17  -1.729 -14.505  -7.408
 1216   2HB   ALA  17          2HB       ALA  17  -3.220 -15.397  -7.109
 1217   3HB   ALA  17          3HB       ALA  17  -2.392 -15.556  -8.658
 1218    H    ALA  18           H        ALA  18  -2.794 -11.686  -7.045
 1219    HA   ALA  18           HA       ALA  18  -4.708 -11.967  -4.943
 1220   1HB   ALA  18          1HB       ALA  18  -2.417 -10.946  -4.722
 1221   2HB   ALA  18          2HB       ALA  18  -3.060  -9.520  -5.539
 1222   3HB   ALA  18          3HB       ALA  18  -3.735 -10.029  -3.991
 1223    H    LYS  19           H        LYS  19  -4.573 -10.124  -7.935
 1224    HA   LYS  19           HA       LYS  19  -6.965  -8.605  -7.327
 1225   1HB   LYS  19          2HB       LYS  19  -5.842  -7.272  -8.757
 1226   2HB   LYS  19          3HB       LYS  19  -4.859  -8.594  -9.357
 1227   1HG   LYS  19          2HG       LYS  19  -6.316  -9.073 -11.079
 1228   2HG   LYS  19          3HG       LYS  19  -7.691  -8.318 -10.266
 1229   1HD   LYS  19          2HD       LYS  19  -7.171  -6.252 -11.027
 1230   2HD   LYS  19          3HD       LYS  19  -5.434  -6.522 -10.877
 1231   1HE   LYS  19          2HE       LYS  19  -5.523  -6.512 -13.134
 1232   2HE   LYS  19          3HE       LYS  19  -5.984  -8.199 -12.907
 1233   1HZ   LYS  19          HZ1       LYS  19  -8.072  -6.121 -12.953
 1234   2HZ   LYS  19          HZ2       LYS  19  -7.400  -6.655 -14.412
 1235   3HZ   LYS  19          HZ3       LYS  19  -8.170  -7.759 -13.386
 1236    H    ALA  20           H        ALA  20  -6.010 -11.569  -8.720
 1237    HA   ALA  20           HA       ALA  20  -8.413 -11.979 -10.275
 1238   1HB   ALA  20          1HB       ALA  20  -5.971 -12.801 -10.737
 1239   2HB   ALA  20          2HB       ALA  20  -6.476 -14.177  -9.755
 1240   3HB   ALA  20          3HB       ALA  20  -7.360 -13.772 -11.227
 1241    H    ASP  21           H        ASP  21  -7.448 -12.627  -7.072
 1242    HA   ASP  21           HA       ASP  21  -8.800 -15.047  -6.631
 1243   1HB   ASP  21          2HB       ASP  21  -7.001 -13.782  -5.207
 1244   2HB   ASP  21          3HB       ASP  21  -8.402 -13.057  -4.427
 1245    H    MET  22           H        MET  22  -9.951 -11.773  -6.683
 1246    HA   MET  22           HA       MET  22 -12.551 -12.711  -5.657
 1247   1HB   MET  22          2HB       MET  22 -12.877 -10.228  -5.087
 1248   2HB   MET  22          3HB       MET  22 -11.794 -11.172  -4.073
 1249   1HG   MET  22          2HG       MET  22  -9.941 -10.295  -5.633
 1250   2HG   MET  22          3HG       MET  22 -11.133  -9.086  -6.108
 1251   1HE   MET  22          1HE       MET  22 -12.571  -7.875  -4.262
 1252   2HE   MET  22          2HE       MET  22 -12.576  -9.005  -2.910
 1253   3HE   MET  22          3HE       MET  22 -11.934  -7.377  -2.695
 1254    H    VAL  23           H        VAL  23 -14.335 -11.049  -6.330
 1255    HA   VAL  23           HA       VAL  23 -14.564 -11.227  -9.173
 1256    HB   VAL  23           HB       VAL  23 -16.373  -9.766  -7.239
 1257   1HG1  VAL  23          1HG1      VAL  23 -16.642  -9.218  -9.652
 1258   2HG1  VAL  23          2HG1      VAL  23 -17.002 -10.918  -9.952
 1259   3HG1  VAL  23          3HG1      VAL  23 -18.067  -9.960  -8.923
 1260   1HG2  VAL  23          1HG2      VAL  23 -15.848 -12.334  -6.940
 1261   2HG2  VAL  23          2HG2      VAL  23 -17.485 -11.705  -6.760
 1262   3HG2  VAL  23          3HG2      VAL  23 -17.003 -12.486  -8.263
 1263    H    MET  24           H        MET  24 -13.561  -9.865 -10.480
 1264    HA   MET  24           HA       MET  24 -12.770  -7.231  -9.616
 1265   1HB   MET  24          2HB       MET  24 -12.276  -8.958 -11.977
 1266   2HB   MET  24          3HB       MET  24 -12.131  -7.222 -12.218
 1267   1HG   MET  24          2HG       MET  24 -10.779  -8.132  -9.817
 1268   2HG   MET  24          3HG       MET  24 -10.175  -8.908 -11.281
 1269   1HE   MET  24          1HE       MET  24 -10.748  -5.637  -9.339
 1270   2HE   MET  24          2HE       MET  24  -9.158  -6.322  -8.993
 1271   3HE   MET  24          3HE       MET  24  -9.290  -4.762  -9.807
 1272    H    LEU  25           H        LEU  25 -14.235  -5.655  -9.536
 1273    HA   LEU  25           HA       LEU  25 -16.121  -5.419 -11.782
 1274   1HB   LEU  25          2HB       LEU  25 -16.575  -5.472  -8.930
 1275   2HB   LEU  25          3HB       LEU  25 -17.139  -3.959  -9.612
 1276    HG   LEU  25           HG       LEU  25 -18.154  -6.728 -10.049
 1277   1HD1  LEU  25          1HD1      LEU  25 -19.189  -5.045  -8.501
 1278   2HD1  LEU  25          2HD1      LEU  25 -19.586  -4.085  -9.927
 1279   3HD1  LEU  25          3HD1      LEU  25 -20.268  -5.699  -9.733
 1280   1HD2  LEU  25          1HD2      LEU  25 -18.307  -4.507 -12.081
 1281   2HD2  LEU  25          2HD2      LEU  25 -17.630  -6.121 -12.305
 1282   3HD2  LEU  25          3HD2      LEU  25 -19.366  -5.917 -12.075
 1283    H    SER  26           H        SER  26 -16.512  -3.413 -12.612
 1284    HA   SER  26           HA       SER  26 -14.382  -1.496 -12.325
 1285   1HB   SER  26          2HB       SER  26 -16.527  -0.495 -13.926
 1286   2HB   SER  26          3HB       SER  26 -14.951  -1.086 -14.457
 1287    HG   SER  26           HG       SER  26 -15.792  -3.153 -14.616
 1288    HA   PRO  27           HA       PRO  27 -15.969   1.017  -9.087
 1289   1HB   PRO  27          2HB       PRO  27 -15.353   3.488 -10.332
 1290   2HB   PRO  27          3HB       PRO  27 -14.364   2.595  -9.176
 1291   1HG   PRO  27          2HG       PRO  27 -14.236   2.638 -12.148
 1292   2HG   PRO  27          3HG       PRO  27 -12.924   2.475 -10.965
 1293   1HD   PRO  27          2HD       PRO  27 -13.747   0.359 -12.325
 1294   2HD   PRO  27          3HD       PRO  27 -13.374   0.214 -10.600
 1295    H    LYS  28           H        LYS  28 -17.113   1.521 -12.376
 1296    HA   LYS  28           HA       LYS  28 -19.179   3.377 -11.652
 1297   1HB   LYS  28          2HB       LYS  28 -18.755   1.671 -14.108
 1298   2HB   LYS  28          3HB       LYS  28 -20.085   2.807 -13.931
 1299   1HG   LYS  28          2HG       LYS  28 -17.981   4.401 -13.345
 1300   2HG   LYS  28          3HG       LYS  28 -17.248   3.289 -14.500
 1301   1HD   LYS  28          2HD       LYS  28 -19.825   4.767 -15.006
 1302   2HD   LYS  28          3HD       LYS  28 -18.241   5.359 -15.505
 1303   1HE   LYS  28          2HE       LYS  28 -19.126   2.612 -16.287
 1304   2HE   LYS  28          3HE       LYS  28 -19.714   4.013 -17.179
 1305   1HZ   LYS  28          HZ1       LYS  28 -16.873   4.074 -16.768
 1306   2HZ   LYS  28          HZ2       LYS  28 -17.372   2.699 -17.626
 1307   3HZ   LYS  28          HZ3       LYS  28 -17.767   4.245 -18.204
 1308    H    ASP  29           H        ASP  29 -18.990  -0.116 -12.193
 1309    HA   ASP  29           HA       ASP  29 -21.788  -0.538 -11.589
 1310   1HB   ASP  29          2HB       ASP  29 -19.965  -2.032 -12.951
 1311   2HB   ASP  29          3HB       ASP  29 -19.935  -2.837 -11.381
 1312    H    ALA  30           H        ALA  30 -18.729  -0.616  -9.969
 1313    HA   ALA  30           HA       ALA  30 -19.529  -1.918  -7.587
 1314   1HB   ALA  30          1HB       ALA  30 -17.157  -1.482  -8.335
 1315   2HB   ALA  30          2HB       ALA  30 -17.371   0.172  -7.760
 1316   3HB   ALA  30          3HB       ALA  30 -17.501  -1.179  -6.632
 1317    H    TYR  31           H        TYR  31 -19.318   1.524  -8.474
 1318    HA   TYR  31           HA       TYR  31 -20.363   2.467  -6.008
 1319   1HB   TYR  31          HB2       TYR  31 -19.119   4.004  -7.359
 1320   2HB   TYR  31          HB3       TYR  31 -20.189   3.756  -8.731
 1321    HD1  TYR  31           HD1      TYR  31 -20.096   5.069  -5.266
 1322    HD2  TYR  31           HD2      TYR  31 -22.074   5.141  -9.028
 1323    HE1  TYR  31           HE1      TYR  31 -21.486   6.934  -4.487
 1324    HE2  TYR  31           HE2      TYR  31 -23.481   7.003  -8.261
 1325    HH   TYR  31           HH       TYR  31 -23.426   8.094  -4.921
 1326    H    LYS  32           H        LYS  32 -21.812   1.407  -9.015
 1327    HA   LYS  32           HA       LYS  32 -24.380   2.434  -8.726
 1328   1HB   LYS  32          2HB       LYS  32 -23.583   1.353 -10.778
 1329   2HB   LYS  32          3HB       LYS  32 -23.549  -0.201  -9.956
 1330   1HG   LYS  32          2HG       LYS  32 -25.539  -0.371 -11.044
 1331   2HG   LYS  32          3HG       LYS  32 -26.088   0.344  -9.528
 1332   1HD   LYS  32          2HD       LYS  32 -26.326   2.469 -10.484
 1333   2HD   LYS  32          3HD       LYS  32 -25.334   2.047 -11.882
 1334   1HE   LYS  32          2HE       LYS  32 -27.350   1.833 -12.884
 1335   2HE   LYS  32          3HE       LYS  32 -27.291   0.230 -12.154
 1336   1HZ   LYS  32          HZ1       LYS  32 -28.517   1.176 -10.229
 1337   2HZ   LYS  32          HZ2       LYS  32 -28.692   2.626 -11.098
 1338   3HZ   LYS  32          HZ3       LYS  32 -29.397   1.201 -11.682
 1339    H    LEU  33           H        LEU  33 -23.123  -0.722  -7.617
 1340    HA   LEU  33           HA       LEU  33 -25.568  -1.374  -6.279
 1341   1HB   LEU  33          2HB       LEU  33 -23.944  -3.069  -5.084
 1342   2HB   LEU  33          3HB       LEU  33 -24.497  -3.326  -6.724
 1343    HG   LEU  33           HG       LEU  33 -22.170  -1.908  -7.104
 1344   1HD1  LEU  33          1HD1      LEU  33 -21.914  -2.391  -4.536
 1345   2HD1  LEU  33          2HD1      LEU  33 -21.410  -3.983  -5.108
 1346   3HD1  LEU  33          3HD1      LEU  33 -20.536  -2.538  -5.629
 1347   1HD2  LEU  33          1HD2      LEU  33 -23.202  -4.152  -8.044
 1348   2HD2  LEU  33          2HD2      LEU  33 -21.484  -3.790  -8.207
 1349   3HD2  LEU  33          3HD2      LEU  33 -22.040  -4.876  -6.932
 1350    H    LEU  34           H        LEU  34 -22.720   0.395  -5.451
 1351    HA   LEU  34           HA       LEU  34 -22.882   0.271  -2.633
 1352   1HB   LEU  34          2HB       LEU  34 -21.644   2.152  -4.598
 1353   2HB   LEU  34          3HB       LEU  34 -21.739   2.625  -2.914
 1354    HG   LEU  34           HG       LEU  34 -20.423   0.081  -3.851
 1355   1HD1  LEU  34          1HD1      LEU  34 -19.520   2.666  -4.310
 1356   2HD1  LEU  34          2HD1      LEU  34 -18.656   2.149  -2.862
 1357   3HD1  LEU  34          3HD1      LEU  34 -18.556   1.191  -4.338
 1358   1HD2  LEU  34          1HD2      LEU  34 -21.304   0.345  -1.469
 1359   2HD2  LEU  34          2HD2      LEU  34 -19.613  -0.119  -1.663
 1360   3HD2  LEU  34          3HD2      LEU  34 -20.030   1.547  -1.262
 1361    H    GLN  35           H        GLN  35 -24.109   2.700  -4.941
 1362    HA   GLN  35           HA       GLN  35 -25.353   4.254  -2.918
 1363   1HB   GLN  35          2HB       GLN  35 -26.564   5.317  -4.907
 1364   2HB   GLN  35          3HB       GLN  35 -24.815   5.466  -4.835
 1365   1HG   GLN  35          2HG       GLN  35 -24.606   4.509  -6.813
 1366   2HG   GLN  35          3HG       GLN  35 -25.515   3.097  -6.275
 1367   1HE2  GLN  35          1HE2      GLN  35 -27.254   2.678  -7.397
 1368   2HE2  GLN  35          2HE2      GLN  35 -28.224   3.828  -8.248
 1369    H    GLU  36           H        GLU  36 -26.448   1.598  -4.902
 1370    HA   GLU  36           HA       GLU  36 -29.221   2.019  -4.269
 1371   1HB   GLU  36          2HB       GLU  36 -27.659   0.267  -5.997
 1372   2HB   GLU  36          3HB       GLU  36 -29.012  -0.556  -5.233
 1373   1HG   GLU  36          2HG       GLU  36 -30.580   0.871  -6.209
 1374   2HG   GLU  36          3HG       GLU  36 -29.353   2.067  -6.632
 1375    H    ASN  37           H        ASN  37 -26.649  -0.130  -3.160
 1376    HA   ASN  37           HA       ASN  37 -28.529  -1.283  -1.213
 1377   1HB   ASN  37          2HB       ASN  37 -26.078  -2.334  -2.570
 1378   2HB   ASN  37          3HB       ASN  37 -26.516  -2.966  -0.988
 1379   1HD2  ASN  37          1HD2      ASN  37 -27.179  -2.973  -4.330
 1380   2HD2  ASN  37          2HD2      ASN  37 -28.478  -4.115  -4.303
 1381    HA   PRO  38           HA       PRO  38 -26.078   1.166   1.704
 1382   1HB   PRO  38          2HB       PRO  38 -27.805   0.917   3.762
 1383   2HB   PRO  38          3HB       PRO  38 -28.089   2.048   2.432
 1384   1HG   PRO  38          2HG       PRO  38 -29.251  -0.675   2.886
 1385   2HG   PRO  38          3HG       PRO  38 -30.057   0.808   2.341
 1386   1HD   PRO  38          2HD       PRO  38 -29.273  -1.177   0.644
 1387   2HD   PRO  38          3HD       PRO  38 -29.372   0.528   0.166
 1388    H    ASP  39           H        ASP  39 -26.707  -2.043   1.388
 1389    HA   ASP  39           HA       ASP  39 -25.500  -2.893   3.912
 1390   1HB   ASP  39          2HB       ASP  39 -27.497  -4.000   2.338
 1391   2HB   ASP  39          3HB       ASP  39 -26.086  -4.972   1.939
 1392    H    ILE  40           H        ILE  40 -24.887  -2.582   0.507
 1393    HA   ILE  40           HA       ILE  40 -22.405  -4.063   0.615
 1394    HB   ILE  40           HB       ILE  40 -23.571  -2.380  -1.613
 1395   1HG1  ILE  40          2HG1      ILE  40 -23.448  -5.381  -1.209
 1396   2HG1  ILE  40          3HG1      ILE  40 -24.896  -4.384  -1.108
 1397   1HG2  ILE  40          1HG2      ILE  40 -20.947  -2.999  -1.310
 1398   2HG2  ILE  40          2HG2      ILE  40 -21.519  -4.396  -2.221
 1399   3HG2  ILE  40          3HG2      ILE  40 -21.741  -2.771  -2.868
 1400   1HD1  ILE  40          1HD1      ILE  40 -24.194  -3.742  -3.568
 1401   2HD1  ILE  40          2HD1      ILE  40 -23.384  -5.306  -3.483
 1402   3HD1  ILE  40          3HD1      ILE  40 -25.123  -5.199  -3.213
 1403    H    THR  41           H        THR  41 -20.786  -3.174   1.648
 1404    HA   THR  41           HA       THR  41 -20.479  -0.260   1.630
 1405    HB   THR  41           HB       THR  41 -18.836  -2.092   3.343
 1406    HG1  THR  41           HG1      THR  41 -21.339  -2.438   3.322
 1407   1HG2  THR  41          1HG2      THR  41 -18.827   0.571   3.143
 1408   2HG2  THR  41          2HG2      THR  41 -20.125   0.394   4.324
 1409   3HG2  THR  41          3HG2      THR  41 -18.525  -0.263   4.669
 1410    H    LEU  42           H        LEU  42 -18.553   0.748   0.957
 1411    HA   LEU  42           HA       LEU  42 -16.683  -0.990  -0.500
 1412   1HB   LEU  42          2HB       LEU  42 -17.505   0.761  -1.925
 1413   2HB   LEU  42          3HB       LEU  42 -17.218   1.979  -0.696
 1414    HG   LEU  42           HG       LEU  42 -14.705   1.154  -1.004
 1415   1HD1  LEU  42          1HD1      LEU  42 -15.910  -0.400  -2.892
 1416   2HD1  LEU  42          2HD1      LEU  42 -15.364   0.981  -3.844
 1417   3HD1  LEU  42          3HD1      LEU  42 -14.207   0.058  -2.885
 1418   1HD2  LEU  42          1HD2      LEU  42 -15.877   3.424  -1.468
 1419   2HD2  LEU  42          2HD2      LEU  42 -14.315   3.077  -2.211
 1420   3HD2  LEU  42          3HD2      LEU  42 -15.800   2.913  -3.156
 1421    H    ILE  43           H        ILE  43 -14.729  -1.316   0.318
 1422    HA   ILE  43           HA       ILE  43 -13.902   0.385   2.568
 1423    HB   ILE  43           HB       ILE  43 -13.343  -2.512   1.980
 1424   1HG1  ILE  43          2HG1      ILE  43 -13.833  -1.860   4.718
 1425   2HG1  ILE  43          3HG1      ILE  43 -15.051  -1.063   3.725
 1426   1HG2  ILE  43          1HG2      ILE  43 -11.675  -0.585   3.525
 1427   2HG2  ILE  43          2HG2      ILE  43 -11.851  -2.233   4.131
 1428   3HG2  ILE  43          3HG2      ILE  43 -11.181  -1.950   2.524
 1429   1HD1  ILE  43          1HD1      ILE  43 -15.041  -3.533   2.635
 1430   2HD1  ILE  43          2HD1      ILE  43 -14.645  -3.903   4.313
 1431   3HD1  ILE  43          3HD1      ILE  43 -16.120  -3.016   3.929
 1432    H    ASP  44           H        ASP  44 -12.383   1.766   2.110
 1433    HA   ASP  44           HA       ASP  44 -10.576   1.184  -0.121
 1434   1HB   ASP  44          2HB       ASP  44 -11.254   3.244  -0.748
 1435   2HB   ASP  44          3HB       ASP  44 -11.895   3.611   0.845
 1436    H    VAL  45           H        VAL  45  -8.521   0.971   0.220
 1437    HA   VAL  45           HA       VAL  45  -7.408   1.752   2.810
 1438    HB   VAL  45           HB       VAL  45  -5.986  -0.282   2.915
 1439   1HG1  VAL  45          1HG1      VAL  45  -8.188   0.031   4.127
 1440   2HG1  VAL  45          2HG1      VAL  45  -8.891  -1.040   2.917
 1441   3HG1  VAL  45          3HG1      VAL  45  -7.603  -1.625   3.970
 1442   1HG2  VAL  45          1HG2      VAL  45  -6.369  -0.830   0.433
 1443   2HG2  VAL  45          2HG2      VAL  45  -6.294  -2.157   1.589
 1444   3HG2  VAL  45          3HG2      VAL  45  -7.855  -1.601   0.987
 1445    H    ARG  46           H        ARG  46  -6.304   3.396   2.149
 1446    HA   ARG  46           HA       ARG  46  -4.000   2.998   0.447
 1447   1HB   ARG  46          2HB       ARG  46  -6.409   4.096  -0.582
 1448   2HB   ARG  46          3HB       ARG  46  -5.268   5.422  -0.409
 1449   1HG   ARG  46          2HG       ARG  46  -4.665   2.854  -1.850
 1450   2HG   ARG  46          3HG       ARG  46  -5.236   4.327  -2.635
 1451   1HD   ARG  46          2HD       ARG  46  -2.881   4.582  -0.864
 1452   2HD   ARG  46          3HD       ARG  46  -2.645   3.709  -2.377
 1453    HE   ARG  46           HE       ARG  46  -3.961   6.036  -3.047
 1454   1HH1  ARG  46          1HH1      ARG  46  -0.933   5.229  -1.460
 1455   2HH1  ARG  46          2HH1      ARG  46  -0.123   6.645  -2.074
 1456   1HH2  ARG  46          1HH2      ARG  46  -2.850   7.904  -3.811
 1457   2HH2  ARG  46          2HH2      ARG  46  -1.174   8.121  -3.361
 1458    H    ASP  47           H        ASP  47  -2.659   4.993   0.421
 1459    HA   ASP  47           HA       ASP  47  -2.269   5.886   3.061
 1460   1HB   ASP  47          2HB       ASP  47  -0.376   7.050   2.199
 1461   2HB   ASP  47          3HB       ASP  47  -1.076   7.142   0.585
 1462    HA   PRO  48           HA       PRO  48  -5.348   8.879   3.313
 1463   1HB   PRO  48          2HB       PRO  48  -4.398  10.237   5.506
 1464   2HB   PRO  48          3HB       PRO  48  -5.218   8.672   5.569
 1465   1HG   PRO  48          2HG       PRO  48  -2.281   9.272   5.574
 1466   2HG   PRO  48          3HG       PRO  48  -3.191   8.133   6.589
 1467   1HD   PRO  48          2HD       PRO  48  -1.799   7.265   4.495
 1468   2HD   PRO  48          3HD       PRO  48  -3.400   6.580   4.861
 1469    H    ASP  49           H        ASP  49  -2.110   9.936   2.760
 1470    HA   ASP  49           HA       ASP  49  -2.754  12.716   2.932
 1471   1HB   ASP  49          2HB       ASP  49  -0.365  11.305   2.916
 1472   2HB   ASP  49          3HB       ASP  49  -0.332  12.242   1.422
 1473    H    GLU  50           H        GLU  50  -2.170  10.559   0.146
 1474    HA   GLU  50           HA       GLU  50  -2.670  12.634  -1.757
 1475   1HB   GLU  50          2HB       GLU  50  -1.401  10.411  -2.110
 1476   2HB   GLU  50          3HB       GLU  50  -2.996   9.699  -2.320
 1477   1HG   GLU  50          2HG       GLU  50  -2.957  11.974  -3.950
 1478   2HG   GLU  50          3HG       GLU  50  -1.400  11.184  -4.183
 1479    H    LEU  51           H        LEU  51  -4.589  10.260  -0.089
 1480    HA   LEU  51           HA       LEU  51  -7.006  10.496  -1.548
 1481   1HB   LEU  51          2HB       LEU  51  -6.096   9.129   0.734
 1482   2HB   LEU  51          3HB       LEU  51  -7.434  10.120   1.280
 1483    HG   LEU  51           HG       LEU  51  -8.574   9.047  -0.893
 1484   1HD1  LEU  51          1HD1      LEU  51  -6.178   7.645  -0.752
 1485   2HD1  LEU  51          2HD1      LEU  51  -7.376   6.555  -0.052
 1486   3HD1  LEU  51          3HD1      LEU  51  -7.613   7.199  -1.676
 1487   1HD2  LEU  51          1HD2      LEU  51  -8.594   8.599   1.941
 1488   2HD2  LEU  51          2HD2      LEU  51  -9.919   8.483   0.782
 1489   3HD2  LEU  51          3HD2      LEU  51  -8.888   7.084   1.089
 1490    H    LYS  52           H        LYS  52  -5.704  12.166   1.250
 1491    HA   LYS  52           HA       LYS  52  -7.904  13.793   1.837
 1492   1HB   LYS  52          2HB       LYS  52  -5.772  13.280   3.204
 1493   2HB   LYS  52          3HB       LYS  52  -5.053  14.616   2.321
 1494   1HG   LYS  52          2HG       LYS  52  -6.449  16.187   3.316
 1495   2HG   LYS  52          3HG       LYS  52  -7.625  14.968   3.812
 1496   1HD   LYS  52          2HD       LYS  52  -6.349  15.764   5.730
 1497   2HD   LYS  52          3HD       LYS  52  -6.005  14.063   5.416
 1498   1HE   LYS  52          2HE       LYS  52  -4.156  15.632   3.930
 1499   2HE   LYS  52          3HE       LYS  52  -4.188  16.243   5.585
 1500   1HZ   LYS  52          HZ1       LYS  52  -4.111  13.369   5.404
 1501   2HZ   LYS  52          HZ2       LYS  52  -2.740  14.125   4.741
 1502   3HZ   LYS  52          HZ3       LYS  52  -3.186  14.419   6.354
 1503    H    ALA  53           H        ALA  53  -5.167  14.280  -0.331
 1504    HA   ALA  53           HA       ALA  53  -5.968  17.032  -0.791
 1505   1HB   ALA  53          1HB       ALA  53  -3.581  16.241  -0.361
 1506   2HB   ALA  53          2HB       ALA  53  -3.595  15.686  -2.034
 1507   3HB   ALA  53          3HB       ALA  53  -3.835  17.395  -1.671
 1508    H    MET  54           H        MET  54  -5.485  14.092  -2.771
 1509    HA   MET  54           HA       MET  54  -6.204  15.595  -5.130
 1510   1HB   MET  54          2HB       MET  54  -5.293  12.766  -4.685
 1511   2HB   MET  54          3HB       MET  54  -5.816  13.338  -6.264
 1512   1HG   MET  54          2HG       MET  54  -3.911  15.164  -5.130
 1513   2HG   MET  54          3HG       MET  54  -3.266  13.523  -5.132
 1514   1HE   MET  54          1HE       MET  54  -3.991  11.983  -7.300
 1515   2HE   MET  54          2HE       MET  54  -3.272  12.504  -8.824
 1516   3HE   MET  54          3HE       MET  54  -2.272  12.372  -7.379
 1517    H    GLY  55           H        GLY  55  -7.724  13.091  -3.154
 1518   1HA   GLY  55          1HA       GLY  55 -10.259  13.693  -3.435
 1519   2HA   GLY  55          2HA       GLY  55  -9.956  12.976  -5.005
 1520    H    LYS  56           H        LYS  56 -11.691  12.223  -2.741
 1521    HA   LYS  56           HA       LYS  56 -10.941   9.392  -2.703
 1522   1HB   LYS  56          2HB       LYS  56 -11.804   9.192  -0.378
 1523   2HB   LYS  56          3HB       LYS  56 -10.366  10.198  -0.479
 1524   1HG   LYS  56          2HG       LYS  56 -11.427  11.984   0.311
 1525   2HG   LYS  56          3HG       LYS  56 -12.835  11.719  -0.719
 1526   1HD   LYS  56          2HD       LYS  56 -13.968  10.994   1.051
 1527   2HD   LYS  56          3HD       LYS  56 -12.817   9.667   1.227
 1528   1HE   LYS  56          2HE       LYS  56 -11.377  11.085   2.591
 1529   2HE   LYS  56          3HE       LYS  56 -12.499  12.431   2.393
 1530   1HZ   LYS  56          HZ1       LYS  56 -14.207  10.932   3.454
 1531   2HZ   LYS  56          HZ2       LYS  56 -12.925   9.906   3.882
 1532   3HZ   LYS  56          HZ3       LYS  56 -12.974  11.496   4.473
 1533    HA   PRO  57           HA       PRO  57 -15.086   8.857  -4.046
 1534   1HB   PRO  57          2HB       PRO  57 -15.762   6.709  -2.201
 1535   2HB   PRO  57          3HB       PRO  57 -15.482   6.642  -3.941
 1536   1HG   PRO  57          2HG       PRO  57 -13.765   5.582  -2.105
 1537   2HG   PRO  57          3HG       PRO  57 -13.267   6.152  -3.706
 1538   1HD   PRO  57          2HD       PRO  57 -12.959   7.459  -1.043
 1539   2HD   PRO  57          3HD       PRO  57 -11.877   7.489  -2.450
 1540    H    ASP  58           H        ASP  58 -16.864   9.983  -3.705
 1541    HA   ASP  58           HA       ASP  58 -17.695  10.641  -0.977
 1542   1HB   ASP  58          2HB       ASP  58 -17.631  12.537  -2.466
 1543   2HB   ASP  58          3HB       ASP  58 -18.567  11.679  -3.683
 1544    H    VAL  59           H        VAL  59 -18.611   8.800  -0.233
 1545    HA   VAL  59           HA       VAL  59 -21.018   7.838  -1.618
 1546    HB   VAL  59           HB       VAL  59 -20.135   5.514  -0.620
 1547   1HG1  VAL  59          1HG1      VAL  59 -20.379   6.664  -3.146
 1548   2HG1  VAL  59          2HG1      VAL  59 -18.778   5.922  -3.123
 1549   3HG1  VAL  59          3HG1      VAL  59 -20.207   4.950  -2.763
 1550   1HG2  VAL  59          1HG2      VAL  59 -18.044   6.681   0.189
 1551   2HG2  VAL  59          2HG2      VAL  59 -17.800   5.227  -0.778
 1552   3HG2  VAL  59          3HG2      VAL  59 -17.578   6.817  -1.507
 1553    H    LYS  60           H        LYS  60 -22.549   6.791  -0.261
 1554    HA   LYS  60           HA       LYS  60 -22.785   8.014   2.279
 1555   1HB   LYS  60          2HB       LYS  60 -24.478   5.651   1.678
 1556   2HB   LYS  60          3HB       LYS  60 -24.930   7.227   2.310
 1557   1HG   LYS  60          2HG       LYS  60 -25.796   7.626   0.308
 1558   2HG   LYS  60          3HG       LYS  60 -24.137   7.783  -0.271
 1559   1HD   LYS  60          2HD       LYS  60 -25.365   6.247  -1.687
 1560   2HD   LYS  60          3HD       LYS  60 -24.119   5.374  -0.796
 1561   1HE   LYS  60          2HE       LYS  60 -26.052   4.023  -0.702
 1562   2HE   LYS  60          3HE       LYS  60 -25.918   4.783   0.882
 1563   1HZ   LYS  60          HZ1       LYS  60 -27.583   6.008  -1.228
 1564   2HZ   LYS  60          HZ2       LYS  60 -28.191   4.735  -0.287
 1565   3HZ   LYS  60          HZ3       LYS  60 -27.696   6.177   0.459
 1566    H    ASN  61           H        ASN  61 -21.794   4.819   1.230
 1567    HA   ASN  61           HA       ASN  61 -21.275   4.119   4.037
 1568   1HB   ASN  61          2HB       ASN  61 -21.913   1.741   3.341
 1569   2HB   ASN  61          3HB       ASN  61 -23.219   2.897   3.545
 1570   1HD2  ASN  61          1HD2      ASN  61 -23.808   0.729   2.206
 1571   2HD2  ASN  61          2HD2      ASN  61 -23.912   1.001   0.504
 1572    H    TYR  62           H        TYR  62 -19.083   4.767   3.601
 1573    HA   TYR  62           HA       TYR  62 -17.586   2.495   2.546
 1574   1HB   TYR  62          HB2       TYR  62 -16.921   3.603   0.726
 1575   2HB   TYR  62          HB3       TYR  62 -17.717   5.070   1.268
 1576    HD1  TYR  62           HD1      TYR  62 -14.559   3.135   1.767
 1577    HD2  TYR  62           HD2      TYR  62 -16.451   6.943   1.719
 1578    HE1  TYR  62           HE1      TYR  62 -12.378   4.211   2.049
 1579    HE2  TYR  62           HE2      TYR  62 -14.270   8.036   1.994
 1580    HH   TYR  62           HH       TYR  62 -11.266   6.242   1.779
 1581    H    LYS  63           H        LYS  63 -15.810   1.990   3.705
 1582    HA   LYS  63           HA       LYS  63 -15.075   3.820   5.899
 1583   1HB   LYS  63          2HB       LYS  63 -14.516   0.944   6.281
 1584   2HB   LYS  63          3HB       LYS  63 -15.005   2.160   7.446
 1585   1HG   LYS  63          2HG       LYS  63 -17.306   2.006   6.627
 1586   2HG   LYS  63          3HG       LYS  63 -16.805   0.747   5.494
 1587   1HD   LYS  63          2HD       LYS  63 -16.256  -0.744   7.247
 1588   2HD   LYS  63          3HD       LYS  63 -16.343   0.538   8.456
 1589   1HE   LYS  63          2HE       LYS  63 -18.825   0.218   6.978
 1590   2HE   LYS  63          3HE       LYS  63 -18.340  -1.257   7.813
 1591   1HZ   LYS  63          HZ1       LYS  63 -18.125   0.079   9.864
 1592   2HZ   LYS  63          HZ2       LYS  63 -18.741   1.424   9.036
 1593   3HZ   LYS  63          HZ3       LYS  63 -19.707   0.050   9.262
 1594    H    HIS  64           H        HIS  64 -13.011   4.409   5.992
 1595    HA   HIS  64           HA       HIS  64 -11.059   3.118   4.234
 1596   1HB   HIS  64          2HB       HIS  64 -11.203   5.603   4.259
 1597   2HB   HIS  64          3HB       HIS  64 -10.817   5.593   5.976
 1598    HD1  HIS  64           HD1      HIS  64  -8.461   6.160   6.406
 1599    HD2  HIS  64           HD2      HIS  64  -8.937   4.207   2.762
 1600    HE1  HIS  64           HE1      HIS  64  -6.162   6.077   5.372
 1601    HE2  HIS  64           HE2      HIS  64  -6.521   5.085   3.090
 1602    H    MET  65           H        MET  65 -10.077   1.374   5.100
 1603    HA   MET  65           HA       MET  65  -9.799   1.210   8.012
 1604   1HB   MET  65          2HB       MET  65 -10.452  -0.629   5.980
 1605   2HB   MET  65          3HB       MET  65  -8.875  -1.112   6.587
 1606   1HG   MET  65          2HG       MET  65  -9.703  -1.822   8.532
 1607   2HG   MET  65          3HG       MET  65 -10.809  -0.458   8.674
 1608   1HE   MET  65          1HE       MET  65 -12.404  -0.327   6.336
 1609   2HE   MET  65          2HE       MET  65 -13.643  -1.575   6.205
 1610   3HE   MET  65          3HE       MET  65 -13.501  -0.624   7.684
 1611    H    SER  66           H        SER  66  -7.956   2.552   8.380
 1612    HA   SER  66           HA       SER  66  -5.566   1.921   6.859
 1613   1HB   SER  66          2HB       SER  66  -5.124   3.995   8.770
 1614   2HB   SER  66          3HB       SER  66  -5.242   4.131   7.013
 1615    HG   SER  66           HG       SER  66  -7.093   4.732   8.962
 1616    H    ARG  67           H        ARG  67  -4.098   0.597   7.591
 1617    HA   ARG  67           HA       ARG  67  -3.171   0.768  10.294
 1618   1HB   ARG  67          2HB       ARG  67  -5.136  -1.089  10.011
 1619   2HB   ARG  67          3HB       ARG  67  -3.724  -2.058   9.609
 1620   1HG   ARG  67          2HG       ARG  67  -3.932  -2.377  11.883
 1621   2HG   ARG  67          3HG       ARG  67  -2.724  -1.097  11.780
 1622   1HD   ARG  67          2HD       ARG  67  -4.897   0.428  11.916
 1623   2HD   ARG  67          3HD       ARG  67  -5.532  -0.999  12.736
 1624    HE   ARG  67           HE       ARG  67  -3.106   0.453  13.602
 1625   1HH1  ARG  67          1HH1      ARG  67  -6.060  -1.304  14.326
 1626   2HH1  ARG  67          2HH1      ARG  67  -5.848  -1.214  16.048
 1627   1HH2  ARG  67          1HH2      ARG  67  -2.832   0.565  15.855
 1628   2HH2  ARG  67          2HH2      ARG  67  -4.027  -0.109  16.918
 1629    H    GLY  68           H        GLY  68  -1.923  -2.091   9.762
 1630   1HA   GLY  68          1HA       GLY  68   0.204  -1.123   8.017
 1631   2HA   GLY  68          2HA       GLY  68   0.150  -2.675   8.853
 1632    H    LYS  69           H        LYS  69  -2.358  -3.486   8.174
 1633    HA   LYS  69           HA       LYS  69  -2.801  -3.262   5.355
 1634   1HB   LYS  69          2HB       LYS  69  -1.386  -5.570   6.376
 1635   2HB   LYS  69          3HB       LYS  69  -2.931  -6.048   5.689
 1636   1HG   LYS  69          2HG       LYS  69  -0.510  -5.002   4.373
 1637   2HG   LYS  69          3HG       LYS  69  -1.701  -6.169   3.800
 1638   1HD   LYS  69          2HD       LYS  69  -2.705  -4.593   2.587
 1639   2HD   LYS  69          3HD       LYS  69  -2.934  -3.589   4.021
 1640   1HE   LYS  69          2HE       LYS  69  -0.665  -2.695   3.742
 1641   2HE   LYS  69          3HE       LYS  69  -0.459  -3.684   2.298
 1642   1HZ   LYS  69          HZ1       LYS  69  -2.807  -2.016   2.249
 1643   2HZ   LYS  69          HZ2       LYS  69  -1.357  -1.145   2.325
 1644   3HZ   LYS  69          HZ3       LYS  69  -1.620  -2.246   1.064
 1645    H    LEU  70           H        LEU  70  -4.161  -2.388   7.506
 1646    HA   LEU  70           HA       LEU  70  -6.145  -2.232   8.525
 1647   1HB   LEU  70          2HB       LEU  70  -8.062  -2.598   7.237
 1648   2HB   LEU  70          3HB       LEU  70  -6.780  -2.194   6.116
 1649    HG   LEU  70           HG       LEU  70  -6.989  -5.056   6.413
 1650   1HD1  LEU  70          1HD1      LEU  70  -9.498  -3.516   5.896
 1651   2HD1  LEU  70          2HD1      LEU  70  -9.225  -5.068   5.106
 1652   3HD1  LEU  70          3HD1      LEU  70  -9.254  -4.967   6.868
 1653   1HD2  LEU  70          1HD2      LEU  70  -6.023  -3.490   4.568
 1654   2HD2  LEU  70          2HD2      LEU  70  -6.778  -5.020   4.121
 1655   3HD2  LEU  70          3HD2      LEU  70  -7.680  -3.513   3.956
 1656    H    GLU  71           H        GLU  71  -4.645  -5.039   8.625
 1657    HA   GLU  71           HA       GLU  71  -6.291  -7.083   9.176
 1658   1HB   GLU  71          2HB       GLU  71  -4.157  -6.963  11.180
 1659   2HB   GLU  71          3HB       GLU  71  -4.479  -8.166   9.941
 1660   1HG   GLU  71          2HG       GLU  71  -2.548  -7.397   9.091
 1661   2HG   GLU  71          3HG       GLU  71  -3.596  -6.165   8.393
 1662    HA   PRO  72           HA       PRO  72  -7.118  -6.183  13.780
 1663   1HB   PRO  72          2HB       PRO  72  -6.150  -3.985  15.005
 1664   2HB   PRO  72          3HB       PRO  72  -5.221  -5.481  14.853
 1665   1HG   PRO  72          2HG       PRO  72  -5.055  -2.973  13.247
 1666   2HG   PRO  72          3HG       PRO  72  -3.747  -4.009  13.847
 1667   1HD   PRO  72          2HD       PRO  72  -4.676  -4.075  11.278
 1668   2HD   PRO  72          3HD       PRO  72  -3.931  -5.464  12.091
 1669    H    LEU  73           H        LEU  73  -7.351  -3.683  11.445
 1670    HA   LEU  73           HA       LEU  73  -9.267  -2.127  12.962
 1671   1HB   LEU  73          2HB       LEU  73  -7.457  -1.603  10.880
 1672   2HB   LEU  73          3HB       LEU  73  -9.048  -1.390  10.173
 1673    HG   LEU  73           HG       LEU  73  -7.731   0.598  11.350
 1674   1HD1  LEU  73          1HD1      LEU  73 -10.125   0.365  10.273
 1675   2HD1  LEU  73          2HD1      LEU  73 -10.639   0.514  11.953
 1676   3HD1  LEU  73          3HD1      LEU  73  -9.671   1.788  11.213
 1677   1HD2  LEU  73          1HD2      LEU  73  -9.290  -0.668  13.601
 1678   2HD2  LEU  73          2HD2      LEU  73  -7.543  -0.429  13.527
 1679   3HD2  LEU  73          3HD2      LEU  73  -8.620   0.964  13.625
 1680    H    LEU  74           H        LEU  74  -9.509  -4.927  11.388
 1681    HA   LEU  74           HA       LEU  74 -11.713  -4.500   9.649
 1682   1HB   LEU  74          2HB       LEU  74  -9.936  -6.446   9.871
 1683   2HB   LEU  74          3HB       LEU  74 -11.171  -7.158  10.890
 1684    HG   LEU  74           HG       LEU  74 -12.727  -7.234   9.071
 1685   1HD1  LEU  74          1HD1      LEU  74 -11.139  -5.126   8.024
 1686   2HD1  LEU  74          2HD1      LEU  74 -11.154  -6.441   6.851
 1687   3HD1  LEU  74          3HD1      LEU  74 -12.673  -5.753   7.421
 1688   1HD2  LEU  74          1HD2      LEU  74 -10.080  -8.421   8.905
 1689   2HD2  LEU  74          2HD2      LEU  74 -11.671  -9.151   8.683
 1690   3HD2  LEU  74          3HD2      LEU  74 -10.889  -8.319   7.340
 1691    H    ALA  75           H        ALA  75 -11.488  -6.021  12.886
 1692    HA   ALA  75           HA       ALA  75 -14.309  -6.359  13.104
 1693   1HB   ALA  75          1HB       ALA  75 -12.035  -7.158  14.558
 1694   2HB   ALA  75          2HB       ALA  75 -13.086  -6.300  15.685
 1695   3HB   ALA  75          3HB       ALA  75 -13.706  -7.680  14.778
 1696    H    LYS  76           H        LYS  76 -12.241  -3.703  13.670
 1697    HA   LYS  76           HA       LYS  76 -13.893  -2.435  15.645
 1698   1HB   LYS  76          2HB       LYS  76 -11.723  -1.083  14.064
 1699   2HB   LYS  76          3HB       LYS  76 -12.284  -0.714  15.689
 1700   1HG   LYS  76          2HG       LYS  76 -11.424  -3.342  15.853
 1701   2HG   LYS  76          3HG       LYS  76 -10.237  -2.557  14.811
 1702   1HD   LYS  76          2HD       LYS  76  -9.425  -2.281  17.002
 1703   2HD   LYS  76          3HD       LYS  76 -10.134  -0.724  16.567
 1704   1HE   LYS  76          2HE       LYS  76 -12.249  -2.097  17.676
 1705   2HE   LYS  76          3HE       LYS  76 -10.880  -2.600  18.665
 1706   1HZ   LYS  76          HZ1       LYS  76 -10.524   0.077  18.429
 1707   2HZ   LYS  76          HZ2       LYS  76 -12.212  -0.060  18.538
 1708   3HZ   LYS  76          HZ3       LYS  76 -11.232  -0.709  19.759
 1709    H    SER  77           H        SER  77 -13.622  -2.330  12.174
 1710    HA   SER  77           HA       SER  77 -14.986   0.173  11.892
 1711   1HB   SER  77          2HB       SER  77 -15.206  -0.883   9.445
 1712   2HB   SER  77          3HB       SER  77 -13.696  -0.184  10.036
 1713    HG   SER  77           HG       SER  77 -12.819  -2.097   9.994
 1714    H    GLY  78           H        GLY  78 -15.932  -3.163  12.127
 1715   1HA   GLY  78          1HA       GLY  78 -18.108  -3.863  12.707
 1716   2HA   GLY  78          2HA       GLY  78 -18.733  -2.330  12.116
 1717    H    LEU  79           H        LEU  79 -17.287  -5.379  11.037
 1718    HA   LEU  79           HA       LEU  79 -18.980  -5.234   8.636
 1719   1HB   LEU  79          2HB       LEU  79 -16.155  -6.295   8.761
 1720   2HB   LEU  79          3HB       LEU  79 -17.192  -6.307   7.349
 1721    HG   LEU  79           HG       LEU  79 -16.546  -3.697   8.644
 1722   1HD1  LEU  79          1HD1      LEU  79 -14.406  -4.982   8.357
 1723   2HD1  LEU  79          2HD1      LEU  79 -14.744  -5.019   6.627
 1724   3HD1  LEU  79          3HD1      LEU  79 -14.505  -3.475   7.445
 1725   1HD2  LEU  79          1HD2      LEU  79 -17.321  -4.688   5.926
 1726   2HD2  LEU  79          2HD2      LEU  79 -18.103  -3.469   6.932
 1727   3HD2  LEU  79          3HD2      LEU  79 -16.573  -3.103   6.134
 1728    H    ASP  80           H        ASP  80 -19.866  -7.177   7.944
 1729    HA   ASP  80           HA       ASP  80 -19.300  -9.540   9.594
 1730   1HB   ASP  80          2HB       ASP  80 -21.573  -8.236   9.986
 1731   2HB   ASP  80          3HB       ASP  80 -22.063  -9.100   8.531
 1732    HA   PRO  81           HA       PRO  81 -18.421 -11.323   5.699
 1733   1HB   PRO  81          2HB       PRO  81 -18.688 -13.967   6.340
 1734   2HB   PRO  81          3HB       PRO  81 -17.303 -12.967   6.806
 1735   1HG   PRO  81          2HG       PRO  81 -19.716 -13.729   8.403
 1736   2HG   PRO  81          3HG       PRO  81 -18.012 -13.689   8.897
 1737   1HD   PRO  81          2HD       PRO  81 -19.715 -11.723   9.555
 1738   2HD   PRO  81          3HD       PRO  81 -18.012 -11.391   9.169
 1739    H    GLU  82           H        GLU  82 -21.486 -11.005   6.621
 1740    HA   GLU  82           HA       GLU  82 -22.550 -12.840   4.589
 1741   1HB   GLU  82          2HB       GLU  82 -24.667 -12.667   5.620
 1742   2HB   GLU  82          3HB       GLU  82 -23.526 -12.811   6.948
 1743   1HG   GLU  82          2HG       GLU  82 -24.549 -11.046   7.825
 1744   2HG   GLU  82          3HG       GLU  82 -23.716 -10.092   6.599
 1745    H    LYS  83           H        LYS  83 -21.628  -9.657   5.120
 1746    HA   LYS  83           HA       LYS  83 -23.558  -8.540   3.254
 1747   1HB   LYS  83          2HB       LYS  83 -21.661  -7.446   5.257
 1748   2HB   LYS  83          3HB       LYS  83 -22.025  -6.436   3.865
 1749   1HG   LYS  83          2HG       LYS  83 -24.113  -6.004   4.557
 1750   2HG   LYS  83          3HG       LYS  83 -24.361  -7.639   5.173
 1751   1HD   LYS  83          2HD       LYS  83 -22.579  -6.811   6.964
 1752   2HD   LYS  83          3HD       LYS  83 -23.251  -5.240   6.524
 1753   1HE   LYS  83          2HE       LYS  83 -24.462  -7.479   8.004
 1754   2HE   LYS  83          3HE       LYS  83 -24.735  -5.743   8.149
 1755   1HZ   LYS  83          HZ1       LYS  83 -25.891  -6.070   5.851
 1756   2HZ   LYS  83          HZ2       LYS  83 -26.023  -7.690   6.357
 1757   3HZ   LYS  83          HZ3       LYS  83 -26.718  -6.445   7.282
 1758    HA   PRO  84           HA       PRO  84 -20.613  -8.739  -0.105
 1759   1HB   PRO  84          2HB       PRO  84 -22.299  -6.870  -1.547
 1760   2HB   PRO  84          3HB       PRO  84 -22.036  -8.586  -1.863
 1761   1HG   PRO  84          2HG       PRO  84 -24.405  -7.570  -0.978
 1762   2HG   PRO  84          3HG       PRO  84 -23.863  -9.223  -0.638
 1763   1HD   PRO  84          2HD       PRO  84 -23.770  -6.796   1.114
 1764   2HD   PRO  84          3HD       PRO  84 -24.182  -8.476   1.528
 1765    H    VAL  85           H        VAL  85 -18.806  -7.565  -0.224
 1766    HA   VAL  85           HA       VAL  85 -18.992  -4.648   0.109
 1767    HB   VAL  85           HB       VAL  85 -16.776  -4.800   1.342
 1768   1HG1  VAL  85          1HG1      VAL  85 -19.228  -4.599   2.291
 1769   2HG1  VAL  85          2HG1      VAL  85 -18.842  -6.176   2.979
 1770   3HG1  VAL  85          3HG1      VAL  85 -17.841  -4.776   3.365
 1771   1HG2  VAL  85          1HG2      VAL  85 -16.338  -7.168   0.665
 1772   2HG2  VAL  85          2HG2      VAL  85 -16.158  -6.857   2.392
 1773   3HG2  VAL  85          3HG2      VAL  85 -17.606  -7.663   1.786
 1774    H    VAL  86           H        VAL  86 -17.320  -3.430  -0.908
 1775    HA   VAL  86           HA       VAL  86 -15.724  -4.956  -2.845
 1776    HB   VAL  86           HB       VAL  86 -17.406  -4.001  -4.195
 1777   1HG1  VAL  86          1HG1      VAL  86 -17.151  -1.604  -2.432
 1778   2HG1  VAL  86          2HG1      VAL  86 -17.836  -1.456  -4.051
 1779   3HG1  VAL  86          3HG1      VAL  86 -18.588  -2.528  -2.868
 1780   1HG2  VAL  86          1HG2      VAL  86 -15.171  -3.617  -5.092
 1781   2HG2  VAL  86          2HG2      VAL  86 -16.270  -2.320  -5.554
 1782   3HG2  VAL  86          3HG2      VAL  86 -15.098  -2.062  -4.265
 1783    H    VAL  87           H        VAL  87 -13.627  -4.243  -3.143
 1784    HA   VAL  87           HA       VAL  87 -12.734  -2.186  -1.236
 1785    HB   VAL  87           HB       VAL  87 -10.470  -3.230  -1.475
 1786   1HG1  VAL  87          1HG1      VAL  87 -12.441  -3.846   0.214
 1787   2HG1  VAL  87          2HG1      VAL  87 -12.222  -5.423  -0.544
 1788   3HG1  VAL  87          3HG1      VAL  87 -10.864  -4.636   0.260
 1789   1HG2  VAL  87          1HG2      VAL  87 -12.033  -5.114  -3.189
 1790   2HG2  VAL  87          2HG2      VAL  87 -10.441  -4.409  -3.462
 1791   3HG2  VAL  87          3HG2      VAL  87 -10.641  -5.699  -2.276
 1792    H    PHE  88           H        PHE  88 -11.477  -0.510  -1.905
 1793    HA   PHE  88           HA       PHE  88 -11.295  -0.155  -4.827
 1794   1HB   PHE  88          2HB       PHE  88 -12.987   1.211  -3.493
 1795   2HB   PHE  88          3HB       PHE  88 -11.613   2.028  -2.761
 1796    HD1  PHE  88           HD1      PHE  88 -12.307   0.987  -6.284
 1797    HD2  PHE  88           HD2      PHE  88 -11.557   4.179  -3.563
 1798    HE1  PHE  88           HE1      PHE  88 -12.197   2.560  -8.158
 1799    HE2  PHE  88           HE2      PHE  88 -11.452   5.751  -5.440
 1800    HZ   PHE  88           HZ       PHE  88 -11.769   4.941  -7.737
 1801    H    CYS  89           H        CYS  89  -9.444   0.699  -5.725
 1802    HA   CYS  89           HA       CYS  89  -7.353   1.539  -5.937
 1803   1HB   CYS  89          2HB       CYS  89  -7.798   2.085  -3.065
 1804   2HB   CYS  89          3HB       CYS  89  -6.117   1.962  -3.577
 1805    H    LYS  90           H        LYS  90  -7.085  -0.659  -6.718
 1806    HA   LYS  90           HA       LYS  90  -5.743  -2.469  -4.874
 1807   1HB   LYS  90          2HB       LYS  90  -6.359  -4.197  -6.232
 1808   2HB   LYS  90          3HB       LYS  90  -7.630  -3.049  -6.617
 1809   1HG   LYS  90          2HG       LYS  90  -5.161  -3.058  -8.284
 1810   2HG   LYS  90          3HG       LYS  90  -6.348  -4.345  -8.501
 1811   1HD   LYS  90          2HD       LYS  90  -8.062  -2.410  -8.629
 1812   2HD   LYS  90          3HD       LYS  90  -6.651  -1.399  -8.944
 1813   1HE   LYS  90          2HE       LYS  90  -6.882  -3.890 -10.518
 1814   2HE   LYS  90          3HE       LYS  90  -8.049  -2.620 -10.875
 1815   1HZ   LYS  90          HZ1       LYS  90  -5.356  -1.643 -10.656
 1816   2HZ   LYS  90          HZ2       LYS  90  -5.541  -2.799 -11.886
 1817   3HZ   LYS  90          HZ3       LYS  90  -6.497  -1.405 -11.887
 1818    H    THR  91           H        THR  91  -4.955  -0.349  -7.501
 1819    HA   THR  91           HA       THR  91  -2.378  -1.673  -7.895
 1820    HB   THR  91           HB       THR  91  -2.787   0.654  -9.562
 1821    HG1  THR  91           HG1      THR  91  -4.869   0.429  -9.883
 1822   1HG2  THR  91          1HG2      THR  91  -2.466  -2.307 -10.034
 1823   2HG2  THR  91          2HG2      THR  91  -2.604  -1.133 -11.344
 1824   3HG2  THR  91          3HG2      THR  91  -1.252  -1.042 -10.215
 1825    H    ALA  92           H        ALA  92  -2.764  -0.238  -5.461
 1826    HA   ALA  92           HA       ALA  92  -0.460   1.511  -5.669
 1827   1HB   ALA  92          1HB       ALA  92  -2.606   2.908  -5.855
 1828   2HB   ALA  92          2HB       ALA  92  -2.840   2.534  -4.147
 1829   3HB   ALA  92          3HB       ALA  92  -1.401   3.409  -4.671
 1830    H    ALA  93           H        ALA  93  -2.698   1.415  -2.974
 1831    HA   ALA  93           HA       ALA  93  -0.700   0.346  -1.196
 1832   1HB   ALA  93          1HB       ALA  93  -3.553   1.195  -0.870
 1833   2HB   ALA  93          2HB       ALA  93  -2.718   0.311   0.407
 1834   3HB   ALA  93          3HB       ALA  93  -2.098   1.871  -0.135
 1835    H    ARG  94           H        ARG  94  -3.242  -0.794  -3.155
 1836    HA   ARG  94           HA       ARG  94  -3.781  -2.860  -3.889
 1837   1HB   ARG  94          2HB       ARG  94  -1.745  -3.790  -1.873
 1838   2HB   ARG  94          3HB       ARG  94  -2.696  -4.899  -2.854
 1839   1HG   ARG  94          2HG       ARG  94  -1.384  -2.802  -4.401
 1840   2HG   ARG  94          3HG       ARG  94  -0.266  -3.857  -3.535
 1841   1HD   ARG  94          2HD       ARG  94  -1.153  -5.796  -4.592
 1842   2HD   ARG  94          3HD       ARG  94  -2.503  -4.885  -5.270
 1843    HE   ARG  94           HE       ARG  94  -0.045  -3.812  -6.169
 1844   1HH1  ARG  94          1HH1      ARG  94  -2.156  -6.561  -6.618
 1845   2HH1  ARG  94          2HH1      ARG  94  -1.633  -6.872  -8.238
 1846   1HH2  ARG  94          1HH2      ARG  94   0.666  -4.222  -8.323
 1847   2HH2  ARG  94          2HH2      ARG  94  -0.029  -5.533  -9.211
 1848    H    ALA  95           H        ALA  95  -5.832  -2.353  -3.181
 1849    HA   ALA  95           HA       ALA  95  -6.851  -3.027  -0.612
 1850   1HB   ALA  95          1HB       ALA  95  -8.236  -2.621  -3.261
 1851   2HB   ALA  95          2HB       ALA  95  -9.064  -2.820  -1.719
 1852   3HB   ALA  95          3HB       ALA  95  -8.018  -1.426  -1.983
 1853    H    ALA  96           H        ALA  96  -5.803  -4.878  -3.182
 1854    HA   ALA  96           HA       ALA  96  -7.548  -7.068  -3.209
 1855   1HB   ALA  96          1HB       ALA  96  -5.293  -6.396  -4.574
 1856   2HB   ALA  96          2HB       ALA  96  -4.707  -7.708  -3.551
 1857   3HB   ALA  96          3HB       ALA  96  -6.071  -7.977  -4.636
 1858    H    LEU  97           H        LEU  97  -4.932  -6.174  -1.047
 1859    HA   LEU  97           HA       LEU  97  -4.722  -8.650   0.318
 1860   1HB   LEU  97          2HB       LEU  97  -3.782  -5.882   0.748
 1861   2HB   LEU  97          3HB       LEU  97  -3.976  -6.842   2.207
 1862    HG   LEU  97           HG       LEU  97  -1.682  -6.944   1.407
 1863   1HD1  LEU  97          1HD1      LEU  97  -3.393  -9.355   1.488
 1864   2HD1  LEU  97          2HD1      LEU  97  -1.746  -9.559   0.890
 1865   3HD1  LEU  97          3HD1      LEU  97  -2.023  -8.897   2.501
 1866   1HD2  LEU  97          1HD2      LEU  97  -3.007  -7.476  -1.158
 1867   2HD2  LEU  97          2HD2      LEU  97  -1.447  -6.729  -0.818
 1868   3HD2  LEU  97          3HD2      LEU  97  -1.600  -8.486  -0.825
 1869    H    ALA  98           H        ALA  98  -6.888  -5.938   0.574
 1870    HA   ALA  98           HA       ALA  98  -8.011  -6.725   3.100
 1871   1HB   ALA  98          1HB       ALA  98  -8.023  -4.389   1.853
 1872   2HB   ALA  98          2HB       ALA  98  -9.532  -5.023   1.197
 1873   3HB   ALA  98          3HB       ALA  98  -9.325  -4.865   2.941
 1874    H    GLY  99           H        GLY  99  -9.173  -6.706  -0.241
 1875   1HA   GLY  99          1HA       GLY  99 -11.575  -8.026   0.376
 1876   2HA   GLY  99          2HA       GLY  99 -10.940  -7.754  -1.235
 1877    H    LYS 100           H        LYS 100  -8.668  -9.294  -1.271
 1878    HA   LYS 100           HA       LYS 100  -9.864 -11.788  -1.767
 1879   1HB   LYS 100          2HB       LYS 100  -7.976 -12.291  -2.902
 1880   2HB   LYS 100          3HB       LYS 100  -7.683 -10.571  -2.728
 1881   1HG   LYS 100          2HG       LYS 100  -5.897 -10.887  -1.412
 1882   2HG   LYS 100          3HG       LYS 100  -6.665 -12.195  -0.510
 1883   1HD   LYS 100          2HD       LYS 100  -6.254 -13.228  -3.064
 1884   2HD   LYS 100          3HD       LYS 100  -4.786 -12.320  -2.702
 1885   1HE   LYS 100          2HE       LYS 100  -4.119 -14.127  -1.576
 1886   2HE   LYS 100          3HE       LYS 100  -5.294 -13.654  -0.349
 1887   1HZ   LYS 100          HZ1       LYS 100  -6.866 -14.992  -2.021
 1888   2HZ   LYS 100          HZ2       LYS 100  -5.407 -15.817  -2.288
 1889   3HZ   LYS 100          HZ3       LYS 100  -6.051 -15.724  -0.723
 1890    H    THR 101           H        THR 101  -7.980 -10.607   0.936
 1891    HA   THR 101           HA       THR 101  -7.653 -13.168   2.161
 1892    HB   THR 101           HB       THR 101  -7.575 -10.507   3.575
 1893    HG1  THR 101           HG1      THR 101  -5.893 -10.048   2.393
 1894   1HG2  THR 101          1HG2      THR 101  -7.379 -12.914   4.680
 1895   2HG2  THR 101          2HG2      THR 101  -5.714 -12.761   4.116
 1896   3HG2  THR 101          3HG2      THR 101  -6.383 -11.561   5.220
 1897    H    LEU 102           H        LEU 102 -10.049 -10.594   2.320
 1898    HA   LEU 102           HA       LEU 102 -11.469 -11.536   4.566
 1899   1HB   LEU 102          2HB       LEU 102 -11.967  -9.633   2.364
 1900   2HB   LEU 102          3HB       LEU 102 -13.391 -10.285   3.150
 1901    HG   LEU 102           HG       LEU 102 -11.159  -8.727   4.447
 1902   1HD1  LEU 102          1HD1      LEU 102 -12.778  -7.392   3.187
 1903   2HD1  LEU 102          2HD1      LEU 102 -14.093  -8.121   4.111
 1904   3HD1  LEU 102          3HD1      LEU 102 -12.904  -7.103   4.921
 1905   1HD2  LEU 102          1HD2      LEU 102 -13.450 -10.259   5.637
 1906   2HD2  LEU 102          2HD2      LEU 102 -11.740 -10.326   6.060
 1907   3HD2  LEU 102          3HD2      LEU 102 -12.696  -8.904   6.475
 1908    H    ARG 103           H        ARG 103 -11.988 -12.076   1.074
 1909    HA   ARG 103           HA       ARG 103 -14.252 -13.749   1.422
 1910   1HB   ARG 103          2HB       ARG 103 -13.715 -14.550  -0.916
 1911   2HB   ARG 103          3HB       ARG 103 -13.961 -12.820  -0.736
 1912   1HG   ARG 103          2HG       ARG 103 -11.799 -12.320  -1.201
 1913   2HG   ARG 103          3HG       ARG 103 -11.185 -13.834  -0.538
 1914   1HD   ARG 103          2HD       ARG 103 -12.869 -13.913  -2.990
 1915   2HD   ARG 103          3HD       ARG 103 -11.197 -13.375  -3.125
 1916    HE   ARG 103           HE       ARG 103 -10.507 -15.525  -2.269
 1917   1HH1  ARG 103          1HH1      ARG 103 -13.819 -15.243  -3.376
 1918   2HH1  ARG 103          2HH1      ARG 103 -14.039 -16.956  -3.570
 1919   1HH2  ARG 103          1HH2      ARG 103 -10.788 -17.785  -2.520
 1920   2HH2  ARG 103          2HH2      ARG 103 -12.330 -18.400  -3.049
 1921    H    GLU 104           H        GLU 104 -10.857 -14.294   1.638
 1922    HA   GLU 104           HA       GLU 104 -10.935 -17.153   1.497
 1923   1HB   GLU 104          2HB       GLU 104  -8.873 -15.157   2.392
 1924   2HB   GLU 104          3HB       GLU 104  -8.624 -16.887   2.594
 1925   1HG   GLU 104          2HG       GLU 104  -9.427 -16.632  -0.037
 1926   2HG   GLU 104          3HG       GLU 104  -8.381 -15.239   0.233
 1927    H    TYR 105           H        TYR 105 -12.070 -15.013   3.754
 1928    HA   TYR 105           HA       TYR 105 -11.701 -16.942   5.944
 1929   1HB   TYR 105          HB2       TYR 105 -12.417 -14.006   6.054
 1930   2HB   TYR 105          HB3       TYR 105 -12.416 -15.079   7.453
 1931    HD1  TYR 105           HD1      TYR 105  -9.930 -16.668   6.424
 1932    HD2  TYR 105           HD2      TYR 105 -10.732 -12.530   6.991
 1933    HE1  TYR 105           HE1      TYR 105  -7.528 -16.255   6.722
 1934    HE2  TYR 105           HE2      TYR 105  -8.329 -12.105   7.290
 1935    HH   TYR 105           HH       TYR 105  -6.191 -14.057   8.100
 1936    H    GLY 106           H        GLY 106 -13.828 -15.917   3.605
 1937   1HA   GLY 106          1HA       GLY 106 -15.820 -17.236   3.323
 1938   2HA   GLY 106          2HA       GLY 106 -16.029 -17.212   5.068
 1939    H    PHE 107           H        PHE 107 -15.686 -14.848   2.437
 1940    HA   PHE 107           HA       PHE 107 -17.874 -13.309   3.648
 1941   1HB   PHE 107          2HB       PHE 107 -15.406 -12.549   2.273
 1942   2HB   PHE 107          3HB       PHE 107 -16.827 -11.739   1.620
 1943    HD1  PHE 107           HD1      PHE 107 -15.275 -12.571   4.904
 1944    HD2  PHE 107           HD2      PHE 107 -17.497  -9.768   2.597
 1945    HE1  PHE 107           HE1      PHE 107 -15.225 -10.984   6.787
 1946    HE2  PHE 107           HE2      PHE 107 -17.448  -8.176   4.475
 1947    HZ   PHE 107           HZ       PHE 107 -16.310  -8.786   6.571
 1948    H    LYS 108           H        LYS 108 -19.701 -12.899   2.503
 1949    HA   LYS 108           HA       LYS 108 -20.562 -14.762   0.662
 1950   1HB   LYS 108          2HB       LYS 108 -21.638 -12.471   1.956
 1951   2HB   LYS 108          3HB       LYS 108 -22.050 -12.358   0.251
 1952   1HG   LYS 108          2HG       LYS 108 -22.888 -14.739   0.438
 1953   2HG   LYS 108          3HG       LYS 108 -22.731 -14.546   2.185
 1954   1HD   LYS 108          2HD       LYS 108 -24.380 -12.902   2.275
 1955   2HD   LYS 108          3HD       LYS 108 -24.255 -12.550   0.552
 1956   1HE   LYS 108          2HE       LYS 108 -24.957 -15.264   0.767
 1957   2HE   LYS 108          3HE       LYS 108 -25.977 -14.393   1.911
 1958   1HZ   LYS 108          HZ1       LYS 108 -26.197 -12.794  -0.167
 1959   2HZ   LYS 108          HZ2       LYS 108 -25.894 -14.240  -1.003
 1960   3HZ   LYS 108          HZ3       LYS 108 -27.216 -14.130   0.056
 1961    H    THR 109           H        THR 109 -20.427 -11.341  -0.276
 1962    HA   THR 109           HA       THR 109 -19.203 -12.180  -2.817
 1963    HB   THR 109           HB       THR 109 -21.291 -10.017  -2.716
 1964    HG1  THR 109           HG1      THR 109 -21.739 -12.796  -3.241
 1965   1HG2  THR 109          1HG2      THR 109 -19.578 -10.983  -4.700
 1966   2HG2  THR 109          2HG2      THR 109 -21.152 -11.678  -5.083
 1967   3HG2  THR 109          3HG2      THR 109 -20.973  -9.928  -4.928
 1968    H    ILE 110           H        ILE 110 -17.271 -11.309  -2.833
 1969    HA   ILE 110           HA       ILE 110 -16.976  -8.533  -1.914
 1970    HB   ILE 110           HB       ILE 110 -15.786 -10.420  -0.637
 1971   1HG1  ILE 110          2HG1      ILE 110 -13.737  -8.448  -1.454
 1972   2HG1  ILE 110          3HG1      ILE 110 -15.266  -7.797  -0.866
 1973   1HG2  ILE 110          1HG2      ILE 110 -14.560 -10.726  -3.238
 1974   2HG2  ILE 110          2HG2      ILE 110 -13.360 -10.450  -1.975
 1975   3HG2  ILE 110          3HG2      ILE 110 -14.503 -11.786  -1.830
 1976   1HD1  ILE 110          1HD1      ILE 110 -14.078  -9.948   0.756
 1977   2HD1  ILE 110          2HD1      ILE 110 -13.196  -8.420   0.717
 1978   3HD1  ILE 110          3HD1      ILE 110 -14.878  -8.453   1.247
 1979    H    TYR 111           H        TYR 111 -16.256  -7.039  -3.315
 1980    HA   TYR 111           HA       TYR 111 -15.378  -7.993  -5.960
 1981   1HB   TYR 111          HB2       TYR 111 -16.451  -5.227  -5.537
 1982   2HB   TYR 111          HB3       TYR 111 -16.488  -6.224  -6.984
 1983    HD1  TYR 111           HD1      TYR 111 -18.037  -5.781  -3.640
 1984    HD2  TYR 111           HD2      TYR 111 -18.393  -7.497  -7.520
 1985    HE1  TYR 111           HE1      TYR 111 -20.378  -6.355  -3.161
 1986    HE2  TYR 111           HE2      TYR 111 -20.740  -8.075  -7.048
 1987    HH   TYR 111           HH       TYR 111 -22.386  -8.056  -5.561
 1988    H    ASN 112           H        ASN 112 -13.681  -6.950  -6.983
 1989    HA   ASN 112           HA       ASN 112 -12.140  -5.053  -5.331
 1990   1HB   ASN 112          2HB       ASN 112 -11.098  -7.363  -6.045
 1991   2HB   ASN 112          3HB       ASN 112 -10.900  -6.571  -7.605
 1992   1HD2  ASN 112          1HD2      ASN 112  -9.217  -7.393  -5.057
 1993   2HD2  ASN 112          2HD2      ASN 112  -8.122  -6.055  -4.922
 1994    H    SER 113           H        SER 113 -11.646  -3.121  -6.260
 1995    HA   SER 113           HA       SER 113 -13.249  -2.452  -8.559
 1996   1HB   SER 113          2HB       SER 113 -11.544  -0.756  -6.735
 1997   2HB   SER 113          3HB       SER 113 -12.612  -0.125  -7.993
 1998    HG   SER 113           HG       SER 113 -13.322  -1.573  -5.658
 1999    H    GLU 114           H        GLU 114 -12.491  -2.697 -10.524
 2000    HA   GLU 114           HA       GLU 114  -9.765  -2.850 -11.255
 2001   1HB   GLU 114          2HB       GLU 114 -11.763  -3.714 -12.571
 2002   2HB   GLU 114          3HB       GLU 114 -12.029  -2.055 -13.086
 2003   1HG   GLU 114          2HG       GLU 114 -10.835  -3.001 -14.838
 2004   2HG   GLU 114          3HG       GLU 114  -9.613  -2.119 -13.922
 2005    H    GLY 115           H        GLY 115  -8.409  -1.325 -12.217
 2006   1HA   GLY 115          1HA       GLY 115  -7.684   0.817 -12.814
 2007   2HA   GLY 115          2HA       GLY 115  -9.277   1.442 -12.406
 2008    H    GLY 116           H        GLY 116  -9.474   2.527 -10.574
 2009   1HA   GLY 116          1HA       GLY 116  -8.592   1.989  -8.082
 2010   2HA   GLY 116          2HA       GLY 116  -7.203   2.787  -8.812
 2011    H    MET 117           H        MET 117  -7.588   4.410  -7.100
 2012    HA   MET 117           HA       MET 117  -9.898   5.988  -6.926
 2013   1HB   MET 117          2HB       MET 117  -8.310   6.145  -5.167
 2014   2HB   MET 117          3HB       MET 117  -7.010   6.554  -6.276
 2015   1HG   MET 117          2HG       MET 117  -9.305   8.414  -6.181
 2016   2HG   MET 117          3HG       MET 117  -8.265   8.354  -4.759
 2017   1HE   MET 117          1HE       MET 117  -7.230  10.098  -4.445
 2018   2HE   MET 117          2HE       MET 117  -5.572  10.054  -5.046
 2019   3HE   MET 117          3HE       MET 117  -6.678  11.313  -5.597
 2020    H    ASP 118           H        ASP 118  -7.103   6.181  -9.016
 2021    HA   ASP 118           HA       ASP 118  -7.613   8.709 -10.155
 2022   1HB   ASP 118          2HB       ASP 118  -5.468   7.812 -10.553
 2023   2HB   ASP 118          3HB       ASP 118  -6.121   6.274 -11.105
 2024    H    LYS 119           H        LYS 119  -8.865   5.472 -10.843
 2025    HA   LYS 119           HA       LYS 119 -10.205   6.251 -13.243
 2026   1HB   LYS 119          2HB       LYS 119  -9.902   3.826 -11.629
 2027   2HB   LYS 119          3HB       LYS 119 -11.506   4.002 -12.330
 2028   1HG   LYS 119          2HG       LYS 119 -10.163   2.721 -13.830
 2029   2HG   LYS 119          3HG       LYS 119 -10.437   4.308 -14.552
 2030   1HD   LYS 119          2HD       LYS 119  -8.121   4.687 -13.128
 2031   2HD   LYS 119          3HD       LYS 119  -7.947   3.031 -13.714
 2032   1HE   LYS 119          2HE       LYS 119  -7.057   4.180 -15.481
 2033   2HE   LYS 119          3HE       LYS 119  -8.747   4.103 -15.980
 2034   1HZ   LYS 119          HZ1       LYS 119  -7.594   6.403 -14.494
 2035   2HZ   LYS 119          HZ2       LYS 119  -7.664   6.328 -16.187
 2036   3HZ   LYS 119          HZ3       LYS 119  -9.095   6.318 -15.284
 2037    H    TRP 120           H        TRP 120 -10.996   6.124  -9.822
 2038    HA   TRP 120           HA       TRP 120 -13.788   6.424 -10.000
 2039   1HB   TRP 120          HB2       TRP 120 -12.275   6.036  -7.916
 2040   2HB   TRP 120          HB3       TRP 120 -12.161   7.790  -7.870
 2041    HD1  TRP 120           HD1      TRP 120 -14.140   9.086  -6.854
 2042    HE1  TRP 120           HE1      TRP 120 -16.386   8.446  -5.785
 2043    HE3  TRP 120           HE3      TRP 120 -14.200   4.119  -8.034
 2044    HZ2  TRP 120           HZ2      TRP 120 -17.951   6.129  -5.440
 2045    HZ3  TRP 120           HZ3      TRP 120 -16.104   2.752  -7.276
 2046    HH2  TRP 120           HH2      TRP 120 -17.936   3.741  -6.006
 2047    H    LEU 121           H        LEU 121 -11.221   8.892  -9.692
 2048    HA   LEU 121           HA       LEU 121 -12.883  11.137 -10.025
 2049   1HB   LEU 121          2HB       LEU 121  -9.964  10.566 -10.245
 2050   2HB   LEU 121          3HB       LEU 121 -10.558  12.069 -10.920
 2051    HG   LEU 121           HG       LEU 121 -10.926  11.234  -8.033
 2052   1HD1  LEU 121          1HD1      LEU 121  -8.906  13.040  -9.341
 2053   2HD1  LEU 121          2HD1      LEU 121  -9.240  13.026  -7.610
 2054   3HD1  LEU 121          3HD1      LEU 121  -8.601  11.584  -8.396
 2055   1HD2  LEU 121          1HD2      LEU 121 -12.651  12.759  -8.868
 2056   2HD2  LEU 121          2HD2      LEU 121 -11.591  13.554  -7.701
 2057   3HD2  LEU 121          3HD2      LEU 121 -11.398  13.868  -9.428
 2058    H    GLU 122           H        GLU 122 -11.108   9.118 -12.323
 2059    HA   GLU 122           HA       GLU 122 -11.483  10.797 -14.560
 2060   1HB   GLU 122          2HB       GLU 122 -10.106   8.411 -13.986
 2061   2HB   GLU 122          3HB       GLU 122 -11.153   8.059 -15.355
 2062   1HG   GLU 122          2HG       GLU 122  -9.982  10.557 -15.871
 2063   2HG   GLU 122          3HG       GLU 122  -8.693   9.509 -15.282
 2064    H    GLU 123           H        GLU 123 -13.393   8.098 -13.301
 2065    HA   GLU 123           HA       GLU 123 -15.044   7.900 -15.635
 2066   1HB   GLU 123          2HB       GLU 123 -15.518   6.897 -12.821
 2067   2HB   GLU 123          3HB       GLU 123 -16.493   6.473 -14.219
 2068   1HG   GLU 123          2HG       GLU 123 -13.559   5.875 -13.935
 2069   2HG   GLU 123          3HG       GLU 123 -14.858   4.741 -13.571
 2070    H    GLY 124           H        GLY 124 -14.788  10.249 -13.342
 2071   1HA   GLY 124          1HA       GLY 124 -16.068  12.137 -13.002
 2072   2HA   GLY 124          2HA       GLY 124 -17.235  11.500 -14.153
 2073    H    LEU 125           H        LEU 125 -16.236   9.540 -11.507
 2074    HA   LEU 125           HA       LEU 125 -18.920   9.406 -10.501
 2075   1HB   LEU 125          2HB       LEU 125 -16.335   8.210  -9.495
 2076   2HB   LEU 125          3HB       LEU 125 -17.917   7.857  -8.826
 2077    HG   LEU 125           HG       LEU 125 -16.948   7.182 -11.603
 2078   1HD1  LEU 125          1HD1      LEU 125 -17.393   5.640  -9.089
 2079   2HD1  LEU 125          2HD1      LEU 125 -17.557   4.850 -10.658
 2080   3HD1  LEU 125          3HD1      LEU 125 -16.026   5.601 -10.203
 2081   1HD2  LEU 125          1HD2      LEU 125 -19.515   7.819 -10.996
 2082   2HD2  LEU 125          2HD2      LEU 125 -19.039   6.678 -12.255
 2083   3HD2  LEU 125          3HD2      LEU 125 -19.502   6.086 -10.658
 2084    HA   PRO 126           HA       PRO 126 -18.793  12.420  -7.280
 2085   1HB   PRO 126          2HB       PRO 126 -19.733  11.041  -5.100
 2086   2HB   PRO 126          3HB       PRO 126 -20.767  11.671  -6.388
 2087   1HG   PRO 126          2HG       PRO 126 -19.692   8.905  -6.002
 2088   2HG   PRO 126          3HG       PRO 126 -21.321   9.415  -6.489
 2089   1HD   PRO 126          2HD       PRO 126 -19.541   8.530  -8.286
 2090   2HD   PRO 126          3HD       PRO 126 -20.664   9.851  -8.673
 2091    H    SER 127           H        SER 127 -16.752  12.970  -6.783
 2092    HA   SER 127           HA       SER 127 -15.356  11.313  -4.797
 2093   1HB   SER 127          2HB       SER 127 -13.795  12.922  -6.780
 2094   2HB   SER 127          3HB       SER 127 -13.335  11.454  -5.920
 2095    HG   SER 127           HG       SER 127 -15.426  11.375  -7.806
 2096    H    LEU 128           H        LEU 128 -13.920  12.520  -3.394
 2097    HA   LEU 128           HA       LEU 128 -14.785  15.315  -3.113
 2098   1HB   LEU 128          2HB       LEU 128 -13.820  13.319  -1.068
 2099   2HB   LEU 128          3HB       LEU 128 -14.052  15.023  -0.726
 2100    HG   LEU 128           HG       LEU 128 -16.354  13.515  -1.857
 2101   1HD1  LEU 128          1HD1      LEU 128 -14.996  12.766   0.582
 2102   2HD1  LEU 128          2HD1      LEU 128 -16.649  13.298   0.894
 2103   3HD1  LEU 128          3HD1      LEU 128 -16.345  11.987  -0.247
 2104   1HD2  LEU 128          1HD2      LEU 128 -15.850  15.911  -0.182
 2105   2HD2  LEU 128          2HD2      LEU 128 -16.978  15.676  -1.516
 2106   3HD2  LEU 128          3HD2      LEU 128 -17.353  15.026   0.079
 2107    H    ASP 129           H        ASP 129 -13.302  16.436  -4.182
 2108    HA   ASP 129           HA       ASP 129 -10.464  16.048  -3.509
 2109   1HB   ASP 129          2HB       ASP 129 -10.162  16.354  -5.732
 2110   2HB   ASP 129          3HB       ASP 129 -11.852  16.777  -5.956
 2111    H    ARG 130           H        ARG 130  -9.349  17.860  -2.481
 2112    HA   ARG 130           HA       ARG 130 -11.174  19.649  -1.176
 2113   1HB   ARG 130          2HB       ARG 130  -9.100  18.463  -0.167
 2114   2HB   ARG 130          3HB       ARG 130  -8.171  19.709  -0.984
 2115   1HG   ARG 130          2HG       ARG 130 -10.316  20.901   0.496
 2116   2HG   ARG 130          3HG       ARG 130  -9.363  19.839   1.539
 2117   1HD   ARG 130          2HD       ARG 130  -8.091  21.706   1.733
 2118   2HD   ARG 130          3HD       ARG 130  -7.372  21.060   0.258
 2119    HE   ARG 130           HE       ARG 130  -9.013  22.573  -0.926
 2120   1HH1  ARG 130          1HH1      ARG 130  -7.676  23.308   2.222
 2121   2HH1  ARG 130          2HH1      ARG 130  -7.971  25.018   2.081
 2122   1HH2  ARG 130          1HH2      ARG 130  -9.372  24.807  -1.133
 2123   2HH2  ARG 130          2HH2      ARG 130  -8.910  25.877   0.159
 2124    H    SER 131           H        SER 131 -11.923  20.984  -2.742
 2125    HA   SER 131           HA       SER 131 -10.891  22.050  -4.930
 2126   1HB   SER 131          2HB       SER 131 -12.286  24.098  -3.341
 2127   2HB   SER 131          3HB       SER 131 -12.700  23.405  -4.912
 2128    HG   SER 131           HG       SER 131 -13.670  21.696  -3.922
 2129    H    HIS 132           H        HIS 132  -9.004  22.905  -5.371
 2130    HA   HIS 132           HA       HIS 132  -7.887  24.882  -3.494
 2131   1HB   HIS 132          2HB       HIS 132  -5.704  24.266  -4.914
 2132   2HB   HIS 132          3HB       HIS 132  -6.166  23.391  -3.465
 2133    HD1  HIS 132           HD1      HIS 132  -7.507  21.066  -3.951
 2134    HD2  HIS 132           HD2      HIS 132  -5.375  22.705  -7.127
 2135    HE1  HIS 132           HE1      HIS 132  -7.132  19.176  -5.564
 2136    HE2  HIS 132           HE2      HIS 132  -5.831  20.173  -7.474
 2137    H    HIS 133           H        HIS 133  -8.965  26.619  -4.394
 2138    HA   HIS 133           HA       HIS 133  -8.457  27.201  -7.217
 2139   1HB   HIS 133          2HB       HIS 133 -10.757  27.418  -5.846
 2140   2HB   HIS 133          3HB       HIS 133 -10.118  29.033  -5.569
 2141    HD1  HIS 133           HD1      HIS 133  -8.974  29.787  -8.253
 2142    HD2  HIS 133           HD2      HIS 133 -12.555  27.705  -7.841
 2143    HE1  HIS 133           HE1      HIS 133 -10.267  30.231 -10.365
 2144    HE2  HIS 133           HE2      HIS 133 -12.395  28.904 -10.130
 2145    H    HIS 134           H        HIS 134  -7.169  27.908  -4.206
 2146    HA   HIS 134           HA       HIS 134  -6.419  30.635  -4.657
 2147   1HB   HIS 134          2HB       HIS 134  -6.573  29.680  -2.386
 2148   2HB   HIS 134          3HB       HIS 134  -5.244  28.589  -2.755
 2149    HD1  HIS 134           HD1      HIS 134  -3.057  29.370  -1.945
 2150    HD2  HIS 134           HD2      HIS 134  -5.647  32.540  -2.669
 2151    HE1  HIS 134           HE1      HIS 134  -1.804  31.438  -1.255
 2152    HE2  HIS 134           HE2      HIS 134  -3.483  33.298  -1.466
 2153    H    HIS 135           H        HIS 135  -5.028  27.504  -5.340
 2154    HA   HIS 135           HA       HIS 135  -2.435  28.496  -6.055
 2155   1HB   HIS 135          2HB       HIS 135  -3.713  25.922  -5.770
 2156   2HB   HIS 135          3HB       HIS 135  -2.811  25.994  -7.281
 2157    HD1  HIS 135           HD1      HIS 135  -0.275  27.364  -6.639
 2158    HD2  HIS 135           HD2      HIS 135  -2.118  24.788  -3.927
 2159    HE1  HIS 135           HE1      HIS 135   1.537  26.611  -5.066
 2160    HE2  HIS 135           HE2      HIS 135   0.384  25.143  -3.373
 2161    H    HIS 136           H        HIS 136  -3.490  30.205  -7.478
 2162    HA   HIS 136           HA       HIS 136  -4.284  29.292 -10.115
 2163   1HB   HIS 136          2HB       HIS 136  -4.359  31.694 -10.711
 2164   2HB   HIS 136          3HB       HIS 136  -5.326  31.328  -9.291
 2165    HD1  HIS 136           HD1      HIS 136  -4.544  32.348  -7.028
 2166    HD2  HIS 136           HD2      HIS 136  -2.206  33.415 -10.296
 2167    HE1  HIS 136           HE1      HIS 136  -3.127  34.265  -6.246
 2168    HE2  HIS 136           HE2      HIS 136  -1.935  35.062  -8.319
 2169    H    HIS 137           H        HIS 137  -1.497  29.537  -8.463
 2170    HA   HIS 137           HA       HIS 137   0.043  28.980 -10.792
 2171   1HB   HIS 137          2HB       HIS 137   0.200  31.520 -10.547
 2172   2HB   HIS 137          3HB       HIS 137   1.032  31.230  -9.026
 2173    HD1  HIS 137           HD1      HIS 137   2.907  32.647 -10.457
 2174    HD2  HIS 137           HD2      HIS 137   2.252  28.693 -11.556
 2175    HE1  HIS 137           HE1      HIS 137   4.956  31.950 -11.739
 2176    HE2  HIS 137           HE2      HIS 137   4.620  29.502 -12.217
  Start of MODEL    4
    1   1H    ALA   1           H1       ALA   1 -24.781  -7.776  17.330
    2   2H    ALA   1           H2       ALA   1 -24.845  -7.149  18.904
    3   3H    ALA   1           H3       ALA   1 -25.061  -6.121  17.572
    4    HA   ALA   1           HA       ALA   1 -22.910  -5.663  18.110
    5   1HB   ALA   1          1HB       ALA   1 -23.096  -8.143  19.464
    6   2HB   ALA   1          2HB       ALA   1 -21.668  -8.206  18.431
    7   3HB   ALA   1          3HB       ALA   1 -21.846  -6.907  19.611
    8    H    ASP   2           H        ASP   2 -20.869  -5.965  16.880
    9    HA   ASP   2           HA       ASP   2 -21.466  -7.026  14.212
   10   1HB   ASP   2          2HB       ASP   2 -19.730  -5.636  13.364
   11   2HB   ASP   2          3HB       ASP   2 -20.638  -4.650  14.503
   12    H    MET   3           H        MET   3 -19.564  -8.055  13.056
   13    HA   MET   3           HA       MET   3 -18.536 -10.131  14.839
   14   1HB   MET   3          2HB       MET   3 -19.389  -9.998  12.035
   15   2HB   MET   3          3HB       MET   3 -17.946 -10.967  12.301
   16   1HG   MET   3          2HG       MET   3 -19.482 -11.914  14.276
   17   2HG   MET   3          3HG       MET   3 -20.734 -11.439  13.129
   18   1HE   MET   3          1HE       MET   3 -21.724 -12.809  11.977
   19   2HE   MET   3          2HE       MET   3 -20.916 -13.180  10.453
   20   3HE   MET   3          3HE       MET   3 -21.303 -14.475  11.588
   21    H    GLY   4           H        GLY   4 -17.456  -7.346  13.915
   22   1HA   GLY   4          1HA       GLY   4 -15.134  -7.491  12.505
   23   2HA   GLY   4          2HA       GLY   4 -15.363  -6.349  13.816
   24    H    GLU   5           H        GLU   5 -15.555  -8.715  15.703
   25    HA   GLU   5           HA       GLU   5 -12.771  -8.796  16.393
   26   1HB   GLU   5          2HB       GLU   5 -15.161 -10.230  17.543
   27   2HB   GLU   5          3HB       GLU   5 -13.535 -10.357  18.200
   28   1HG   GLU   5          2HG       GLU   5 -13.997  -8.602  19.456
   29   2HG   GLU   5          3HG       GLU   5 -14.004  -7.627  17.986
   30    H    LYS   6           H        LYS   6 -15.006 -10.990  14.798
   31    HA   LYS   6           HA       LYS   6 -13.583 -13.349  15.163
   32   1HB   LYS   6          2HB       LYS   6 -15.349 -12.662  12.815
   33   2HB   LYS   6          3HB       LYS   6 -14.956 -14.274  13.401
   34   1HG   LYS   6          2HG       LYS   6 -16.079 -12.681  15.513
   35   2HG   LYS   6          3HG       LYS   6 -17.143 -12.693  14.106
   36   1HD   LYS   6          2HD       LYS   6 -16.613 -15.270  14.144
   37   2HD   LYS   6          3HD       LYS   6 -16.259 -14.945  15.844
   38   1HE   LYS   6          2HE       LYS   6 -18.746 -13.735  14.892
   39   2HE   LYS   6          3HE       LYS   6 -18.735 -15.496  14.811
   40   1HZ   LYS   6          HZ1       LYS   6 -17.947 -15.413  17.196
   41   2HZ   LYS   6          HZ2       LYS   6 -18.378 -13.776  17.194
   42   3HZ   LYS   6          HZ3       LYS   6 -19.556 -14.964  16.921
   43    H    PHE   7           H        PHE   7 -13.477 -11.084  12.402
   44    HA   PHE   7           HA       PHE   7 -11.408 -12.723  11.200
   45   1HB   PHE   7          2HB       PHE   7 -11.546 -10.835   9.393
   46   2HB   PHE   7          3HB       PHE   7 -12.807 -12.053   9.511
   47    HD1  PHE   7           HD1      PHE   7 -11.959  -8.613  10.652
   48    HD2  PHE   7           HD2      PHE   7 -15.018 -11.403   9.661
   49    HE1  PHE   7           HE1      PHE   7 -13.638  -6.830  10.830
   50    HE2  PHE   7           HE2      PHE   7 -16.705  -9.619   9.842
   51    HZ   PHE   7           HZ       PHE   7 -16.011  -7.328  10.427
   52    H    ASP   8           H        ASP   8 -11.613  -9.823  13.039
   53    HA   ASP   8           HA       ASP   8  -9.377  -8.401  12.241
   54   1HB   ASP   8          2HB       ASP   8 -10.774  -7.398  13.875
   55   2HB   ASP   8          3HB       ASP   8 -10.616  -8.767  14.966
   56    H    ALA   9           H        ALA   9  -9.490 -10.868  14.806
   57    HA   ALA   9           HA       ALA   9  -6.763 -10.941  15.364
   58   1HB   ALA   9          1HB       ALA   9  -9.049 -12.778  15.808
   59   2HB   ALA   9          2HB       ALA   9  -7.420 -13.414  16.035
   60   3HB   ALA   9          3HB       ALA   9  -7.961 -12.021  16.971
   61    H    THR  10           H        THR  10  -8.658 -12.812  13.034
   62    HA   THR  10           HA       THR  10  -6.542 -14.509  12.239
   63    HB   THR  10           HB       THR  10  -8.448 -14.150  10.122
   64    HG1  THR  10           HG1      THR  10 -10.257 -14.856  11.624
   65   1HG2  THR  10          1HG2      THR  10  -7.402 -16.250  11.875
   66   2HG2  THR  10          2HG2      THR  10  -9.079 -16.497  11.387
   67   3HG2  THR  10          3HG2      THR  10  -7.820 -16.310  10.165
   68    H    PHE  11           H        PHE  11  -7.858 -11.507  10.827
   69    HA   PHE  11           HA       PHE  11  -6.301 -11.426   8.519
   70   1HB   PHE  11          2HB       PHE  11  -8.255  -9.866   9.448
   71   2HB   PHE  11          3HB       PHE  11  -6.895  -8.871   9.952
   72    HD1  PHE  11           HD1      PHE  11  -5.005  -8.936   7.870
   73    HD2  PHE  11           HD2      PHE  11  -9.249  -9.028   7.578
   74    HE1  PHE  11           HE1      PHE  11  -4.870  -7.981   5.602
   75    HE2  PHE  11           HE2      PHE  11  -9.121  -8.075   5.315
   76    HZ   PHE  11           HZ       PHE  11  -6.929  -7.548   4.324
   77    H    LYS  12           H        LYS  12  -5.694 -10.078  11.724
   78    HA   LYS  12           HA       LYS  12  -3.137  -9.009  11.182
   79   1HB   LYS  12          2HB       LYS  12  -4.930  -9.153  13.358
   80   2HB   LYS  12          3HB       LYS  12  -3.415  -9.837  13.914
   81   1HG   LYS  12          2HG       LYS  12  -3.806  -7.110  12.703
   82   2HG   LYS  12          3HG       LYS  12  -3.502  -7.472  14.404
   83   1HD   LYS  12          2HD       LYS  12  -1.312  -8.351  13.854
   84   2HD   LYS  12          3HD       LYS  12  -1.621  -8.108  12.132
   85   1HE   LYS  12          2HE       LYS  12  -2.071  -5.664  13.570
   86   2HE   LYS  12          3HE       LYS  12  -0.468  -6.297  13.947
   87   1HZ   LYS  12          HZ1       LYS  12  -0.590  -6.623  11.287
   88   2HZ   LYS  12          HZ2       LYS  12  -1.492  -5.207  11.471
   89   3HZ   LYS  12          HZ3       LYS  12   0.104  -5.276  12.048
   90    H    ALA  13           H        ALA  13  -4.267 -12.206  11.882
   91    HA   ALA  13           HA       ALA  13  -1.750 -13.282  12.732
   92   1HB   ALA  13          1HB       ALA  13  -3.913 -14.309  13.343
   93   2HB   ALA  13          2HB       ALA  13  -4.150 -14.755  11.651
   94   3HB   ALA  13          3HB       ALA  13  -2.808 -15.444  12.567
   95    H    GLN  14           H        GLN  14  -3.514 -13.126   9.688
   96    HA   GLN  14           HA       GLN  14  -1.625 -14.715   8.236
   97   1HB   GLN  14          2HB       GLN  14  -4.018 -13.095   7.548
   98   2HB   GLN  14          3HB       GLN  14  -2.860 -13.407   6.260
   99   1HG   GLN  14          2HG       GLN  14  -3.086 -15.879   7.263
  100   2HG   GLN  14          3HG       GLN  14  -4.684 -15.250   7.660
  101   1HE2  GLN  14          1HE2      GLN  14  -6.142 -14.905   6.066
  102   2HE2  GLN  14          2HE2      GLN  14  -5.888 -15.365   4.412
  103    H    VAL  15           H        VAL  15  -2.297 -11.228   8.380
  104    HA   VAL  15           HA       VAL  15  -0.298 -10.458   6.580
  105    HB   VAL  15           HB       VAL  15  -1.826  -9.020   8.710
  106   1HG1  VAL  15          1HG1      VAL  15   0.405  -8.050   8.881
  107   2HG1  VAL  15          2HG1      VAL  15   0.431  -7.777   7.137
  108   3HG1  VAL  15          3HG1      VAL  15  -0.724  -6.909   8.148
  109   1HG2  VAL  15          1HG2      VAL  15  -1.661  -9.024   5.726
  110   2HG2  VAL  15          2HG2      VAL  15  -3.071  -9.179   6.774
  111   3HG2  VAL  15          3HG2      VAL  15  -2.295  -7.610   6.564
  112    H    LYS  16           H        LYS  16  -0.132 -11.011  10.061
  113    HA   LYS  16           HA       LYS  16   2.428  -9.901  10.475
  114   1HB   LYS  16          2HB       LYS  16   0.641 -11.735  11.960
  115   2HB   LYS  16          3HB       LYS  16   2.345 -11.768  12.395
  116   1HG   LYS  16          2HG       LYS  16   2.332  -9.459  12.962
  117   2HG   LYS  16          3HG       LYS  16   0.719  -9.243  12.278
  118   1HD   LYS  16          2HD       LYS  16  -0.191  -9.760  14.235
  119   2HD   LYS  16          3HD       LYS  16   0.608 -11.334  14.202
  120   1HE   LYS  16          2HE       LYS  16   2.511  -9.314  14.870
  121   2HE   LYS  16          3HE       LYS  16   1.105  -9.158  15.923
  122   1HZ   LYS  16          HZ1       LYS  16   1.347 -11.635  16.293
  123   2HZ   LYS  16          HZ2       LYS  16   2.876 -11.505  15.571
  124   3HZ   LYS  16          HZ3       LYS  16   2.534 -10.646  16.995
  125    H    ALA  17           H        ALA  17   1.392 -12.996   9.244
  126    HA   ALA  17           HA       ALA  17   3.844 -14.385   9.535
  127   1HB   ALA  17          1HB       ALA  17   1.283 -14.853   8.308
  128   2HB   ALA  17          2HB       ALA  17   2.588 -15.384   7.247
  129   3HB   ALA  17          3HB       ALA  17   2.475 -16.015   8.890
  130    H    ALA  18           H        ALA  18   2.688 -12.022   7.299
  131    HA   ALA  18           HA       ALA  18   4.655 -12.464   5.268
  132   1HB   ALA  18          1HB       ALA  18   2.516 -10.494   5.782
  133   2HB   ALA  18          2HB       ALA  18   3.865  -9.953   4.781
  134   3HB   ALA  18          3HB       ALA  18   2.927 -11.370   4.305
  135    H    LYS  19           H        LYS  19   4.507 -10.599   8.235
  136    HA   LYS  19           HA       LYS  19   6.942  -9.130   7.690
  137   1HB   LYS  19          2HB       LYS  19   4.950  -9.280   9.874
  138   2HB   LYS  19          3HB       LYS  19   6.602  -8.952  10.377
  139   1HG   LYS  19          2HG       LYS  19   6.695  -6.965   9.094
  140   2HG   LYS  19          3HG       LYS  19   5.195  -7.358   8.252
  141   1HD   LYS  19          2HD       LYS  19   4.545  -5.764   9.827
  142   2HD   LYS  19          3HD       LYS  19   4.109  -7.298  10.581
  143   1HE   LYS  19          2HE       LYS  19   5.148  -6.177  12.316
  144   2HE   LYS  19          3HE       LYS  19   6.465  -7.148  11.659
  145   1HZ   LYS  19          HZ1       LYS  19   7.100  -5.145  10.340
  146   2HZ   LYS  19          HZ2       LYS  19   5.969  -4.253  11.226
  147   3HZ   LYS  19          HZ3       LYS  19   7.291  -4.973  12.013
  148    H    ALA  20           H        ALA  20   5.923 -12.126   8.920
  149    HA   ALA  20           HA       ALA  20   8.337 -12.707  10.411
  150   1HB   ALA  20          1HB       ALA  20   5.779 -13.596  10.623
  151   2HB   ALA  20          2HB       ALA  20   6.552 -14.948   9.795
  152   3HB   ALA  20          3HB       ALA  20   7.182 -14.387  11.345
  153    H    ASP  21           H        ASP  21   7.238 -13.054   7.199
  154    HA   ASP  21           HA       ASP  21   8.663 -15.384   6.479
  155   1HB   ASP  21          2HB       ASP  21   6.722 -14.413   5.214
  156   2HB   ASP  21          3HB       ASP  21   7.803 -13.150   4.633
  157    H    MET  22           H        MET  22   9.649 -12.068   6.806
  158    HA   MET  22           HA       MET  22  12.239 -12.772   5.591
  159   1HB   MET  22          2HB       MET  22  11.120  -9.977   5.750
  160   2HB   MET  22          3HB       MET  22  12.498 -10.536   4.813
  161   1HG   MET  22          2HG       MET  22  11.189 -11.456   3.175
  162   2HG   MET  22          3HG       MET  22   9.814 -11.692   4.255
  163   1HE   MET  22          1HE       MET  22  12.008  -8.534   3.863
  164   2HE   MET  22          2HE       MET  22  11.871  -8.996   2.167
  165   3HE   MET  22          3HE       MET  22  11.087  -7.528   2.744
  166    H    VAL  23           H        VAL  23  13.942 -11.018   6.392
  167    HA   VAL  23           HA       VAL  23  14.078 -11.356   9.264
  168    HB   VAL  23           HB       VAL  23  16.051 -10.005   7.415
  169   1HG1  VAL  23          1HG1      VAL  23  15.925  -9.971  10.182
  170   2HG1  VAL  23          2HG1      VAL  23  17.100 -11.235   9.821
  171   3HG1  VAL  23          3HG1      VAL  23  17.338  -9.605   9.191
  172   1HG2  VAL  23          1HG2      VAL  23  15.814 -12.863   8.321
  173   2HG2  VAL  23          2HG2      VAL  23  15.869 -12.243   6.672
  174   3HG2  VAL  23          3HG2      VAL  23  17.310 -12.181   7.686
  175    H    MET  24           H        MET  24  13.095  -9.954  10.529
  176    HA   MET  24           HA       MET  24  12.366  -7.335   9.617
  177   1HB   MET  24          2HB       MET  24  11.972  -8.840  12.186
  178   2HB   MET  24          3HB       MET  24  11.551  -7.137  12.064
  179   1HG   MET  24          2HG       MET  24  10.490  -8.641   9.847
  180   2HG   MET  24          3HG       MET  24   9.962  -9.306  11.389
  181   1HE   MET  24          1HE       MET  24   9.579  -7.208   8.714
  182   2HE   MET  24          2HE       MET  24   8.138  -6.246   9.053
  183   3HE   MET  24          3HE       MET  24   9.743  -5.569   9.345
  184    H    LEU  25           H        LEU  25  13.946  -5.907   9.387
  185    HA   LEU  25           HA       LEU  25  15.844  -5.539  11.603
  186   1HB   LEU  25          2HB       LEU  25  16.077  -5.365   8.661
  187   2HB   LEU  25          3HB       LEU  25  16.947  -4.149   9.573
  188    HG   LEU  25           HG       LEU  25  17.414  -7.092   9.420
  189   1HD1  LEU  25          1HD1      LEU  25  18.675  -4.813   8.477
  190   2HD1  LEU  25          2HD1      LEU  25  19.659  -5.325   9.846
  191   3HD1  LEU  25          3HD1      LEU  25  19.340  -6.445   8.523
  192   1HD2  LEU  25          1HD2      LEU  25  17.490  -5.530  11.879
  193   2HD2  LEU  25          2HD2      LEU  25  17.599  -7.274  11.643
  194   3HD2  LEU  25          3HD2      LEU  25  19.040  -6.271  11.483
  195    H    SER  26           H        SER  26  16.092  -3.593  12.511
  196    HA   SER  26           HA       SER  26  14.019  -1.630  12.094
  197   1HB   SER  26          2HB       SER  26  16.105  -0.799  13.917
  198   2HB   SER  26          3HB       SER  26  14.418  -1.192  14.265
  199    HG   SER  26           HG       SER  26  15.065  -3.434  14.261
  200    HA   PRO  27           HA       PRO  27  15.620   1.224   9.233
  201   1HB   PRO  27          2HB       PRO  27  15.887   3.256  11.353
  202   2HB   PRO  27          3HB       PRO  27  14.946   3.291   9.862
  203   1HG   PRO  27          2HG       PRO  27  14.044   2.662  12.505
  204   2HG   PRO  27          3HG       PRO  27  13.101   2.697  11.008
  205   1HD   PRO  27          2HD       PRO  27  13.662   0.424  12.470
  206   2HD   PRO  27          3HD       PRO  27  13.215   0.437  10.760
  207    H    LYS  28           H        LYS  28  17.309   1.880  12.357
  208    HA   LYS  28           HA       LYS  28  19.658   2.769  11.135
  209   1HB   LYS  28          2HB       LYS  28  19.134   1.666  13.889
  210   2HB   LYS  28          3HB       LYS  28  20.689   2.325  13.405
  211   1HG   LYS  28          2HG       LYS  28  19.401   4.440  12.786
  212   2HG   LYS  28          3HG       LYS  28  18.067   3.741  13.709
  213   1HD   LYS  28          2HD       LYS  28  20.435   3.500  15.260
  214   2HD   LYS  28          3HD       LYS  28  20.343   5.158  14.663
  215   1HE   LYS  28          2HE       LYS  28  19.227   4.914  16.828
  216   2HE   LYS  28          3HE       LYS  28  18.092   5.375  15.559
  217   1HZ   LYS  28          HZ1       LYS  28  18.472   2.537  16.281
  218   2HZ   LYS  28          HZ2       LYS  28  17.431   3.526  17.185
  219   3HZ   LYS  28          HZ3       LYS  28  17.141   3.280  15.530
  220    H    ASP  29           H        ASP  29  18.720  -0.465  12.201
  221    HA   ASP  29           HA       ASP  29  21.282  -1.653  11.842
  222   1HB   ASP  29          2HB       ASP  29  18.641  -2.528  12.610
  223   2HB   ASP  29          3HB       ASP  29  19.327  -3.649  11.434
  224    H    ALA  30           H        ALA  30  18.522  -1.086   9.810
  225    HA   ALA  30           HA       ALA  30  19.449  -2.633   7.585
  226   1HB   ALA  30          1HB       ALA  30  17.060  -2.024   7.969
  227   2HB   ALA  30          2HB       ALA  30  17.469  -0.361   7.546
  228   3HB   ALA  30          3HB       ALA  30  17.651  -1.647   6.351
  229    H    TYR  31           H        TYR  31  19.438   0.812   8.421
  230    HA   TYR  31           HA       TYR  31  20.689   1.783   6.110
  231   1HB   TYR  31          HB2       TYR  31  19.552   3.266   7.628
  232   2HB   TYR  31          HB3       TYR  31  20.635   2.835   8.941
  233    HD1  TYR  31           HD1      TYR  31  20.603   4.409   5.575
  234    HD2  TYR  31           HD2      TYR  31  22.527   4.146   9.357
  235    HE1  TYR  31           HE1      TYR  31  22.041   6.301   4.966
  236    HE2  TYR  31           HE2      TYR  31  23.977   6.038   8.757
  237    HH   TYR  31           HH       TYR  31  24.606   7.436   7.149
  238    H    LYS  32           H        LYS  32  21.994   0.331   9.010
  239    HA   LYS  32           HA       LYS  32  24.667   1.107   8.778
  240   1HB   LYS  32          2HB       LYS  32  24.375   0.106  10.794
  241   2HB   LYS  32          3HB       LYS  32  23.163  -1.007  10.184
  242   1HG   LYS  32          2HG       LYS  32  24.751  -2.541  10.562
  243   2HG   LYS  32          3HG       LYS  32  25.374  -2.006   9.001
  244   1HD   LYS  32          2HD       LYS  32  27.037  -0.690   9.986
  245   2HD   LYS  32          3HD       LYS  32  26.223  -0.675  11.554
  246   1HE   LYS  32          2HE       LYS  32  27.328  -2.491  12.201
  247   2HE   LYS  32          3HE       LYS  32  26.786  -3.376  10.775
  248   1HZ   LYS  32          HZ1       LYS  32  28.775  -1.616   9.943
  249   2HZ   LYS  32          HZ2       LYS  32  29.348  -2.366  11.352
  250   3HZ   LYS  32          HZ3       LYS  32  28.854  -3.307  10.028
  251    H    LEU  33           H        LEU  33  23.076  -1.853   7.542
  252    HA   LEU  33           HA       LEU  33  25.439  -2.669   6.146
  253   1HB   LEU  33          2HB       LEU  33  23.622  -4.183   4.957
  254   2HB   LEU  33          3HB       LEU  33  24.245  -4.539   6.555
  255    HG   LEU  33           HG       LEU  33  22.068  -2.927   7.087
  256   1HD1  LEU  33          1HD1      LEU  33  21.610  -3.378   4.542
  257   2HD1  LEU  33          2HD1      LEU  33  21.039  -4.935   5.143
  258   3HD1  LEU  33          3HD1      LEU  33  20.300  -3.441   5.724
  259   1HD2  LEU  33          1HD2      LEU  33  22.423  -5.912   7.021
  260   2HD2  LEU  33          2HD2      LEU  33  22.591  -4.823   8.398
  261   3HD2  LEU  33          3HD2      LEU  33  20.999  -5.129   7.704
  262    H    LEU  34           H        LEU  34  22.700  -0.693   5.401
  263    HA   LEU  34           HA       LEU  34  22.785  -0.814   2.591
  264   1HB   LEU  34          2HB       LEU  34  21.882   1.364   4.470
  265   2HB   LEU  34          3HB       LEU  34  21.714   1.482   2.730
  266    HG   LEU  34           HG       LEU  34  20.444  -0.648   4.447
  267   1HD1  LEU  34          1HD1      LEU  34  19.619   1.740   4.718
  268   2HD1  LEU  34          2HD1      LEU  34  19.063   1.618   3.050
  269   3HD1  LEU  34          3HD1      LEU  34  18.421   0.523   4.275
  270   1HD2  LEU  34          1HD2      LEU  34  20.978  -0.563   1.685
  271   2HD2  LEU  34          2HD2      LEU  34  19.980  -1.720   2.566
  272   3HD2  LEU  34          3HD2      LEU  34  19.249  -0.267   1.884
  273    H    GLN  35           H        GLN  35  24.145   1.622   4.803
  274    HA   GLN  35           HA       GLN  35  25.423   3.000   2.679
  275   1HB   GLN  35          2HB       GLN  35  26.102   4.567   4.279
  276   2HB   GLN  35          3HB       GLN  35  24.574   3.953   4.894
  277   1HG   GLN  35          2HG       GLN  35  25.516   3.153   6.743
  278   2HG   GLN  35          3HG       GLN  35  26.873   2.459   5.856
  279   1HE2  GLN  35          1HE2      GLN  35  28.665   3.809   5.355
  280   2HE2  GLN  35          2HE2      GLN  35  29.007   5.216   6.306
  281    H    GLU  36           H        GLU  36  26.439   0.368   4.693
  282    HA   GLU  36           HA       GLU  36  29.236   0.907   4.125
  283   1HB   GLU  36          2HB       GLU  36  29.417   0.062   6.184
  284   2HB   GLU  36          3HB       GLU  36  27.754  -0.492   6.163
  285   1HG   GLU  36          2HG       GLU  36  28.767  -2.448   4.730
  286   2HG   GLU  36          3HG       GLU  36  30.256  -1.962   5.538
  287    H    ASN  37           H        ASN  37  26.652  -1.075   2.991
  288    HA   ASN  37           HA       ASN  37  28.510  -2.236   1.033
  289   1HB   ASN  37          2HB       ASN  37  26.086  -3.801   1.863
  290   2HB   ASN  37          3HB       ASN  37  27.559  -4.365   1.091
  291   1HD2  ASN  37          1HD2      ASN  37  26.114  -3.341   4.081
  292   2HD2  ASN  37          2HD2      ASN  37  27.312  -4.024   5.138
  293    HA   PRO  38           HA       PRO  38  25.287   0.117  -1.188
  294   1HB   PRO  38          2HB       PRO  38  26.815   0.563  -3.397
  295   2HB   PRO  38          3HB       PRO  38  26.874   1.575  -1.949
  296   1HG   PRO  38          2HG       PRO  38  28.713  -0.616  -2.807
  297   2HG   PRO  38          3HG       PRO  38  29.101   0.948  -2.068
  298   1HD   PRO  38          2HD       PRO  38  29.058  -1.371  -0.662
  299   2HD   PRO  38          3HD       PRO  38  28.645   0.196   0.059
  300    H    ASP  39           H        ASP  39  26.299  -2.927  -1.403
  301    HA   ASP  39           HA       ASP  39  25.046  -3.520  -3.984
  302   1HB   ASP  39          2HB       ASP  39  27.088  -4.805  -2.518
  303   2HB   ASP  39          3HB       ASP  39  25.684  -5.864  -2.419
  304    H    ILE  40           H        ILE  40  24.599  -3.568  -0.555
  305    HA   ILE  40           HA       ILE  40  22.041  -4.942  -0.694
  306    HB   ILE  40           HB       ILE  40  23.199  -3.467   1.675
  307   1HG1  ILE  40          2HG1      ILE  40  23.492  -6.394   0.953
  308   2HG1  ILE  40          3HG1      ILE  40  24.780  -5.196   0.910
  309   1HG2  ILE  40          1HG2      ILE  40  20.916  -5.341   1.246
  310   2HG2  ILE  40          2HG2      ILE  40  21.735  -5.313   2.809
  311   3HG2  ILE  40          3HG2      ILE  40  20.986  -3.844   2.179
  312   1HD1  ILE  40          1HD1      ILE  40  23.279  -5.826   3.426
  313   2HD1  ILE  40          2HD1      ILE  40  24.695  -6.743   2.913
  314   3HD1  ILE  40          3HD1      ILE  40  24.836  -5.017   3.244
  315    H    THR  41           H        THR  41  20.625  -3.754  -1.798
  316    HA   THR  41           HA       THR  41  20.532  -0.867  -1.493
  317    HB   THR  41           HB       THR  41  18.809  -2.601  -3.266
  318    HG1  THR  41           HG1      THR  41  21.271  -2.725  -3.453
  319   1HG2  THR  41          1HG2      THR  41  18.564   0.039  -2.749
  320   2HG2  THR  41          2HG2      THR  41  19.694   0.083  -4.103
  321   3HG2  THR  41          3HG2      THR  41  18.125  -0.705  -4.287
  322    H    LEU  42           H        LEU  42  18.687   0.317  -0.814
  323    HA   LEU  42           HA       LEU  42  16.707  -1.272   0.663
  324   1HB   LEU  42          2HB       LEU  42  17.712   0.367   2.097
  325   2HB   LEU  42          3HB       LEU  42  17.507   1.627   0.897
  326    HG   LEU  42           HG       LEU  42  14.948   1.081   1.225
  327   1HD1  LEU  42          1HD1      LEU  42  16.214  -0.481   3.278
  328   2HD1  LEU  42          2HD1      LEU  42  15.156   0.739   3.988
  329   3HD1  LEU  42          3HD1      LEU  42  14.515  -0.408   2.811
  330   1HD2  LEU  42          1HD2      LEU  42  16.345   3.176   1.800
  331   2HD2  LEU  42          2HD2      LEU  42  14.784   2.949   2.589
  332   3HD2  LEU  42          3HD2      LEU  42  16.277   2.573   3.456
  333    H    ILE  43           H        ILE  43  14.727  -1.410  -0.093
  334    HA   ILE  43           HA       ILE  43  13.952   0.372  -2.303
  335    HB   ILE  43           HB       ILE  43  13.344  -2.503  -1.738
  336   1HG1  ILE  43          2HG1      ILE  43  13.883  -0.991  -4.299
  337   2HG1  ILE  43          3HG1      ILE  43  15.121  -1.783  -3.327
  338   1HG2  ILE  43          1HG2      ILE  43  11.357  -0.575  -2.554
  339   2HG2  ILE  43          2HG2      ILE  43  11.621  -1.782  -3.813
  340   3HG2  ILE  43          3HG2      ILE  43  11.174  -2.290  -2.185
  341   1HD1  ILE  43          1HD1      ILE  43  12.809  -3.405  -4.228
  342   2HD1  ILE  43          2HD1      ILE  43  14.042  -2.962  -5.411
  343   3HD1  ILE  43          3HD1      ILE  43  14.491  -3.872  -3.966
  344    H    ASP  44           H        ASP  44  12.542   1.880  -1.745
  345    HA   ASP  44           HA       ASP  44  10.904   1.402   0.641
  346   1HB   ASP  44          2HB       ASP  44  11.938   3.411   1.061
  347   2HB   ASP  44          3HB       ASP  44  12.041   3.832  -0.639
  348    H    VAL  45           H        VAL  45   8.857   1.004   0.449
  349    HA   VAL  45           HA       VAL  45   7.532   1.680  -2.095
  350    HB   VAL  45           HB       VAL  45   5.790  -0.044  -0.860
  351   1HG1  VAL  45          1HG1      VAL  45   7.784  -0.227  -3.029
  352   2HG1  VAL  45          2HG1      VAL  45   7.103  -1.748  -2.456
  353   3HG1  VAL  45          3HG1      VAL  45   6.040  -0.481  -3.064
  354   1HG2  VAL  45          1HG2      VAL  45   8.590  -1.013  -0.288
  355   2HG2  VAL  45          2HG2      VAL  45   7.329  -0.657   0.892
  356   3HG2  VAL  45          3HG2      VAL  45   7.144  -2.020  -0.213
  357    H    ARG  46           H        ARG  46   6.840   3.675  -1.663
  358    HA   ARG  46           HA       ARG  46   4.735   3.976   0.317
  359   1HB   ARG  46          2HB       ARG  46   7.176   4.620   1.150
  360   2HB   ARG  46          3HB       ARG  46   6.824   6.102   0.275
  361   1HG   ARG  46          2HG       ARG  46   6.255   6.410   2.575
  362   2HG   ARG  46          3HG       ARG  46   4.766   6.359   1.628
  363   1HD   ARG  46          2HD       ARG  46   5.907   3.971   3.067
  364   2HD   ARG  46          3HD       ARG  46   4.723   5.062   3.785
  365    HE   ARG  46           HE       ARG  46   4.240   3.027   1.819
  366   1HH1  ARG  46          1HH1      ARG  46   3.089   6.060   3.144
  367   2HH1  ARG  46          2HH1      ARG  46   1.463   5.845   2.532
  368   1HH2  ARG  46          1HH2      ARG  46   2.098   2.780   1.000
  369   2HH2  ARG  46          2HH2      ARG  46   0.922   4.032   1.286
  370    H    ASP  47           H        ASP  47   3.627   6.063   0.080
  371    HA   ASP  47           HA       ASP  47   3.081   6.550  -2.675
  372   1HB   ASP  47          2HB       ASP  47   1.478   6.581  -0.629
  373   2HB   ASP  47          3HB       ASP  47   2.051   8.231  -0.404
  374    HA   PRO  48           HA       PRO  48   5.954   9.850  -3.410
  375   1HB   PRO  48          2HB       PRO  48   4.504  11.177  -5.343
  376   2HB   PRO  48          3HB       PRO  48   5.522   9.765  -5.647
  377   1HG   PRO  48          2HG       PRO  48   2.561   9.920  -5.248
  378   2HG   PRO  48          3HG       PRO  48   3.487   8.947  -6.406
  379   1HD   PRO  48          2HD       PRO  48   2.472   7.868  -4.172
  380   2HD   PRO  48          3HD       PRO  48   4.051   7.358  -4.809
  381    H    ASP  49           H        ASP  49   2.540  10.471  -2.761
  382    HA   ASP  49           HA       ASP  49   2.982  13.258  -2.154
  383   1HB   ASP  49          2HB       ASP  49   0.760  11.909  -2.869
  384   2HB   ASP  49          3HB       ASP  49   0.547  11.930  -1.120
  385    H    GLU  50           H        GLU  50   2.733  10.243  -0.365
  386    HA   GLU  50           HA       GLU  50   2.820  11.393   2.250
  387   1HB   GLU  50          2HB       GLU  50   2.884   8.737   1.073
  388   2HB   GLU  50          3HB       GLU  50   4.070   8.887   2.361
  389   1HG   GLU  50          2HG       GLU  50   1.771  10.046   3.398
  390   2HG   GLU  50          3HG       GLU  50   1.201   8.633   2.512
  391    H    LEU  51           H        LEU  51   5.127  10.415  -0.160
  392    HA   LEU  51           HA       LEU  51   7.505  10.678   1.361
  393   1HB   LEU  51          2HB       LEU  51   6.770  10.051  -1.322
  394   2HB   LEU  51          3HB       LEU  51   7.983  11.317  -1.373
  395    HG   LEU  51           HG       LEU  51   9.459   9.901   0.039
  396   1HD1  LEU  51          1HD1      LEU  51   7.195   7.957  -0.289
  397   2HD1  LEU  51          2HD1      LEU  51   8.842   7.444   0.082
  398   3HD1  LEU  51          3HD1      LEU  51   7.973   8.497   1.198
  399   1HD2  LEU  51          1HD2      LEU  51   8.710   9.520  -2.704
  400   2HD2  LEU  51          2HD2      LEU  51  10.302   9.418  -1.951
  401   3HD2  LEU  51          3HD2      LEU  51   9.257   7.998  -2.000
  402    H    LYS  52           H        LYS  52   5.517  12.911  -0.453
  403    HA   LYS  52           HA       LYS  52   7.387  15.071  -0.394
  404   1HB   LYS  52          2HB       LYS  52   4.748  14.570  -1.463
  405   2HB   LYS  52          3HB       LYS  52   4.804  16.137  -0.668
  406   1HG   LYS  52          2HG       LYS  52   7.131  16.057  -2.170
  407   2HG   LYS  52          3HG       LYS  52   5.913  15.305  -3.203
  408   1HD   LYS  52          2HD       LYS  52   4.610  17.492  -2.111
  409   2HD   LYS  52          3HD       LYS  52   6.240  18.086  -2.432
  410   1HE   LYS  52          2HE       LYS  52   5.435  18.455  -4.499
  411   2HE   LYS  52          3HE       LYS  52   5.741  16.733  -4.719
  412   1HZ   LYS  52          HZ1       LYS  52   3.187  17.213  -3.531
  413   2HZ   LYS  52          HZ2       LYS  52   3.337  18.013  -5.019
  414   3HZ   LYS  52          HZ3       LYS  52   3.583  16.338  -4.928
  415    H    ALA  53           H        ALA  53   4.577  14.133   1.545
  416    HA   ALA  53           HA       ALA  53   4.647  16.501   3.133
  417   1HB   ALA  53          1HB       ALA  53   2.641  15.007   2.598
  418   2HB   ALA  53          2HB       ALA  53   3.221  13.981   3.909
  419   3HB   ALA  53          3HB       ALA  53   2.771  15.656   4.232
  420    H    MET  54           H        MET  54   5.594  13.132   3.748
  421    HA   MET  54           HA       MET  54   6.537  13.939   6.395
  422   1HB   MET  54          2HB       MET  54   5.700  11.386   5.135
  423   2HB   MET  54          3HB       MET  54   6.887  11.291   6.429
  424   1HG   MET  54          2HG       MET  54   4.993  12.990   7.453
  425   2HG   MET  54          3HG       MET  54   4.035  11.827   6.540
  426   1HE   MET  54          1HE       MET  54   6.692  12.535   8.914
  427   2HE   MET  54          2HE       MET  54   6.102  11.709  10.358
  428   3HE   MET  54          3HE       MET  54   7.327  10.944   9.341
  429    H    GLY  55           H        GLY  55   7.780  12.594   3.404
  430   1HA   GLY  55          1HA       GLY  55  10.084  13.241   2.854
  431   2HA   GLY  55          2HA       GLY  55  10.493  12.864   4.522
  432    H    LYS  56           H        LYS  56  12.086  11.679   2.906
  433    HA   LYS  56           HA       LYS  56  11.322   8.867   2.977
  434   1HB   LYS  56          2HB       LYS  56  11.714   8.424   0.709
  435   2HB   LYS  56          3HB       LYS  56  10.813   9.934   0.670
  436   1HG   LYS  56          2HG       LYS  56  13.434  10.769   0.806
  437   2HG   LYS  56          3HG       LYS  56  13.508   9.348  -0.235
  438   1HD   LYS  56          2HD       LYS  56  11.247  10.948  -0.956
  439   2HD   LYS  56          3HD       LYS  56  12.696  11.955  -0.914
  440   1HE   LYS  56          2HE       LYS  56  13.816  10.559  -2.467
  441   2HE   LYS  56          3HE       LYS  56  12.585   9.306  -2.331
  442   1HZ   LYS  56          HZ1       LYS  56  11.176  11.481  -3.126
  443   2HZ   LYS  56          HZ2       LYS  56  12.632  11.658  -3.975
  444   3HZ   LYS  56          HZ3       LYS  56  11.727  10.236  -4.143
  445    HA   PRO  57           HA       PRO  57  15.514   8.392   4.314
  446   1HB   PRO  57          2HB       PRO  57  16.232   6.026   3.125
  447   2HB   PRO  57          3HB       PRO  57  15.260   6.150   4.593
  448   1HG   PRO  57          2HG       PRO  57  14.394   5.671   1.775
  449   2HG   PRO  57          3HG       PRO  57  13.760   4.978   3.278
  450   1HD   PRO  57          2HD       PRO  57  12.506   6.973   1.933
  451   2HD   PRO  57          3HD       PRO  57  12.420   6.801   3.698
  452    H    ASP  58           H        ASP  58  17.463   9.111   3.683
  453    HA   ASP  58           HA       ASP  58  18.012   9.224   0.790
  454   1HB   ASP  58          2HB       ASP  58  17.773  11.447   1.893
  455   2HB   ASP  58          3HB       ASP  58  19.130  11.038   2.939
  456    H    VAL  59           H        VAL  59  18.940   7.144   0.798
  457    HA   VAL  59           HA       VAL  59  21.567   7.030   2.121
  458    HB   VAL  59           HB       VAL  59  21.511   4.634   2.074
  459   1HG1  VAL  59          1HG1      VAL  59  20.234   5.940   3.857
  460   2HG1  VAL  59          2HG1      VAL  59  18.774   5.394   3.032
  461   3HG1  VAL  59          3HG1      VAL  59  19.899   4.215   3.709
  462   1HG2  VAL  59          1HG2      VAL  59  20.144   4.622  -0.123
  463   2HG2  VAL  59          2HG2      VAL  59  19.935   3.299   1.024
  464   3HG2  VAL  59          3HG2      VAL  59  18.740   4.595   0.944
  465    H    LYS  60           H        LYS  60  23.213   5.818   0.885
  466    HA   LYS  60           HA       LYS  60  23.728   7.032  -1.536
  467   1HB   LYS  60          2HB       LYS  60  25.228   4.759  -1.743
  468   2HB   LYS  60          3HB       LYS  60  25.700   6.217  -0.885
  469   1HG   LYS  60          2HG       LYS  60  25.459   5.262   1.148
  470   2HG   LYS  60          3HG       LYS  60  24.096   4.263   0.640
  471   1HD   LYS  60          2HD       LYS  60  26.021   2.884   1.138
  472   2HD   LYS  60          3HD       LYS  60  25.610   2.804  -0.575
  473   1HE   LYS  60          2HE       LYS  60  27.945   2.990  -0.537
  474   2HE   LYS  60          3HE       LYS  60  27.372   4.613  -0.917
  475   1HZ   LYS  60          HZ1       LYS  60  27.608   5.091   1.529
  476   2HZ   LYS  60          HZ2       LYS  60  28.422   3.609   1.668
  477   3HZ   LYS  60          HZ3       LYS  60  29.060   4.839   0.690
  478    H    ASN  61           H        ASN  61  22.338   3.832  -0.966
  479    HA   ASN  61           HA       ASN  61  21.662   3.725  -3.825
  480   1HB   ASN  61          2HB       ASN  61  21.718   1.224  -3.565
  481   2HB   ASN  61          3HB       ASN  61  23.279   2.017  -3.404
  482   1HD2  ASN  61          1HD2      ASN  61  23.153  -0.437  -2.485
  483   2HD2  ASN  61          2HD2      ASN  61  23.080  -0.489  -0.754
  484    H    TYR  62           H        TYR  62  19.732   4.890  -3.202
  485    HA   TYR  62           HA       TYR  62  17.707   3.133  -1.991
  486   1HB   TYR  62          HB2       TYR  62  17.803   4.938  -0.526
  487   2HB   TYR  62          HB3       TYR  62  18.169   6.087  -1.804
  488    HD1  TYR  62           HD1      TYR  62  15.351   3.673  -1.304
  489    HD2  TYR  62           HD2      TYR  62  16.546   7.717  -1.854
  490    HE1  TYR  62           HE1      TYR  62  12.996   4.352  -1.379
  491    HE2  TYR  62           HE2      TYR  62  14.189   8.411  -1.917
  492    HH   TYR  62           HH       TYR  62  11.586   6.234  -1.124
  493    H    LYS  63           H        LYS  63  16.101   2.489  -3.286
  494    HA   LYS  63           HA       LYS  63  15.499   4.117  -5.663
  495   1HB   LYS  63          2HB       LYS  63  15.103   1.130  -5.594
  496   2HB   LYS  63          3HB       LYS  63  15.150   2.201  -6.985
  497   1HG   LYS  63          2HG       LYS  63  17.577   2.615  -6.366
  498   2HG   LYS  63          3HG       LYS  63  17.430   1.191  -5.337
  499   1HD   LYS  63          2HD       LYS  63  16.408   0.169  -7.566
  500   2HD   LYS  63          3HD       LYS  63  17.412   1.421  -8.301
  501   1HE   LYS  63          2HE       LYS  63  18.830  -0.015  -6.232
  502   2HE   LYS  63          3HE       LYS  63  18.222  -1.106  -7.473
  503   1HZ   LYS  63          HZ1       LYS  63  19.509   1.316  -8.439
  504   2HZ   LYS  63          HZ2       LYS  63  20.526   0.202  -7.658
  505   3HZ   LYS  63          HZ3       LYS  63  19.620  -0.278  -9.007
  506    H    HIS  64           H        HIS  64  13.478   4.886  -5.664
  507    HA   HIS  64           HA       HIS  64  11.558   3.804  -3.751
  508   1HB   HIS  64          2HB       HIS  64  11.891   6.223  -3.718
  509   2HB   HIS  64          3HB       HIS  64  11.513   6.325  -5.433
  510    HD1  HIS  64           HD1      HIS  64   9.399   7.672  -5.420
  511    HD2  HIS  64           HD2      HIS  64   9.291   4.507  -2.716
  512    HE1  HIS  64           HE1      HIS  64   7.033   7.586  -4.557
  513    HE2  HIS  64           HE2      HIS  64   6.979   5.634  -2.977
  514    H    MET  65           H        MET  65   9.769   2.710  -4.326
  515    HA   MET  65           HA       MET  65   9.287   2.384  -7.207
  516   1HB   MET  65          2HB       MET  65   9.043   0.559  -4.880
  517   2HB   MET  65          3HB       MET  65   7.881   0.368  -6.188
  518   1HG   MET  65          2HG       MET  65   9.502  -1.054  -6.898
  519   2HG   MET  65          3HG       MET  65  10.045   0.430  -7.679
  520   1HE   MET  65          1HE       MET  65  12.073   0.146  -8.158
  521   2HE   MET  65          2HE       MET  65  13.422   0.472  -7.069
  522   3HE   MET  65          3HE       MET  65  12.968  -1.193  -7.437
  523    H    SER  66           H        SER  66   7.159   2.409  -7.987
  524    HA   SER  66           HA       SER  66   5.614   4.455  -6.745
  525   1HB   SER  66          2HB       SER  66   4.284   3.287  -9.005
  526   2HB   SER  66          3HB       SER  66   5.063   4.864  -8.865
  527    HG   SER  66           HG       SER  66   6.378   3.998 -10.284
  528    H    ARG  67           H        ARG  67   5.455   2.488  -4.959
  529    HA   ARG  67           HA       ARG  67   4.006   1.412  -3.590
  530   1HB   ARG  67          2HB       ARG  67   1.657   2.555  -5.033
  531   2HB   ARG  67          3HB       ARG  67   1.932   2.382  -3.309
  532   1HG   ARG  67          2HG       ARG  67   3.294   4.289  -3.224
  533   2HG   ARG  67          3HG       ARG  67   3.491   4.323  -4.978
  534   1HD   ARG  67          2HD       ARG  67   0.769   4.583  -3.772
  535   2HD   ARG  67          3HD       ARG  67   1.845   5.979  -3.823
  536    HE   ARG  67           HE       ARG  67   1.613   4.692  -6.367
  537   1HH1  ARG  67          1HH1      ARG  67   0.061   6.962  -4.191
  538   2HH1  ARG  67          2HH1      ARG  67  -0.831   7.760  -5.460
  539   1HH2  ARG  67          1HH2      ARG  67   0.463   5.752  -8.041
  540   2HH2  ARG  67          2HH2      ARG  67  -0.588   7.078  -7.638
  541    H    GLY  68           H        GLY  68   1.843   1.451  -6.359
  542   1HA   GLY  68          1HA       GLY  68   1.517  -1.458  -6.139
  543   2HA   GLY  68          2HA       GLY  68   0.369  -0.353  -6.889
  544    H    LYS  69           H        LYS  69   3.192   0.768  -7.795
  545    HA   LYS  69           HA       LYS  69   3.351  -0.914 -10.195
  546   1HB   LYS  69          2HB       LYS  69   2.641   1.690 -10.205
  547   2HB   LYS  69          3HB       LYS  69   4.388   1.872 -10.262
  548   1HG   LYS  69          2HG       LYS  69   3.780  -0.080 -12.167
  549   2HG   LYS  69          3HG       LYS  69   2.561   1.182 -12.360
  550   1HD   LYS  69          2HD       LYS  69   5.448   1.917 -12.083
  551   2HD   LYS  69          3HD       LYS  69   4.825   1.356 -13.638
  552   1HE   LYS  69          2HE       LYS  69   2.951   3.210 -12.814
  553   2HE   LYS  69          3HE       LYS  69   4.481   3.915 -12.297
  554   1HZ   LYS  69          HZ1       LYS  69   4.050   2.889 -15.041
  555   2HZ   LYS  69          HZ2       LYS  69   3.719   4.495 -14.603
  556   3HZ   LYS  69          HZ3       LYS  69   5.300   3.892 -14.485
  557    H    LEU  70           H        LEU  70   4.702  -1.248  -7.587
  558    HA   LEU  70           HA       LEU  70   7.424  -0.470  -7.842
  559   1HB   LEU  70          2HB       LEU  70   7.268  -1.151  -5.707
  560   2HB   LEU  70          3HB       LEU  70   5.745  -1.953  -6.018
  561    HG   LEU  70           HG       LEU  70   7.732  -3.671  -7.051
  562   1HD1  LEU  70          1HD1      LEU  70   9.025  -2.049  -5.293
  563   2HD1  LEU  70          2HD1      LEU  70   8.488  -3.357  -4.241
  564   3HD1  LEU  70          3HD1      LEU  70   9.481  -3.713  -5.653
  565   1HD2  LEU  70          1HD2      LEU  70   5.470  -3.931  -5.667
  566   2HD2  LEU  70          2HD2      LEU  70   6.683  -5.208  -5.763
  567   3HD2  LEU  70          3HD2      LEU  70   6.625  -4.152  -4.352
  568    H    GLU  71           H        GLU  71   5.479  -3.247  -8.576
  569    HA   GLU  71           HA       GLU  71   7.352  -5.085  -9.399
  570   1HB   GLU  71          2HB       GLU  71   4.706  -4.656 -10.795
  571   2HB   GLU  71          3HB       GLU  71   5.632  -6.150 -10.736
  572   1HG   GLU  71          2HG       GLU  71   4.096  -6.583  -9.125
  573   2HG   GLU  71          3HG       GLU  71   5.347  -5.825  -8.141
  574    HA   PRO  72           HA       PRO  72   7.530  -3.509 -13.924
  575   1HB   PRO  72          2HB       PRO  72   6.195  -0.904 -13.990
  576   2HB   PRO  72          3HB       PRO  72   5.950  -2.312 -15.024
  577   1HG   PRO  72          2HG       PRO  72   4.106  -1.533 -13.229
  578   2HG   PRO  72          3HG       PRO  72   4.379  -3.243 -13.613
  579   1HD   PRO  72          2HD       PRO  72   5.362  -1.647 -11.272
  580   2HD   PRO  72          3HD       PRO  72   4.669  -3.284 -11.306
  581    H    LEU  73           H        LEU  73   7.854  -1.332 -11.240
  582    HA   LEU  73           HA       LEU  73   9.772   0.355 -12.629
  583   1HB   LEU  73          2HB       LEU  73   8.090   0.631 -10.355
  584   2HB   LEU  73          3HB       LEU  73   9.744   0.850  -9.821
  585    HG   LEU  73           HG       LEU  73   8.385   2.916 -10.562
  586   1HD1  LEU  73          1HD1      LEU  73  11.196   2.209 -11.129
  587   2HD1  LEU  73          2HD1      LEU  73  10.574   3.680 -11.880
  588   3HD1  LEU  73          3HD1      LEU  73  10.523   3.497 -10.126
  589   1HD2  LEU  73          1HD2      LEU  73   9.148   1.751 -13.235
  590   2HD2  LEU  73          2HD2      LEU  73   7.522   2.091 -12.643
  591   3HD2  LEU  73          3HD2      LEU  73   8.633   3.418 -12.978
  592    H    LEU  74           H        LEU  74   9.807  -2.500 -10.805
  593    HA   LEU  74           HA       LEU  74  12.207  -2.345  -9.392
  594   1HB   LEU  74          2HB       LEU  74  10.290  -4.258  -9.839
  595   2HB   LEU  74          3HB       LEU  74  11.675  -4.934 -10.674
  596    HG   LEU  74           HG       LEU  74  12.987  -4.690  -8.562
  597   1HD1  LEU  74          1HD1      LEU  74  11.032  -3.018  -7.759
  598   2HD1  LEU  74          2HD1      LEU  74  10.522  -4.510  -6.973
  599   3HD1  LEU  74          3HD1      LEU  74  12.128  -3.853  -6.657
  600   1HD2  LEU  74          1HD2      LEU  74  10.958  -6.573  -9.236
  601   2HD2  LEU  74          2HD2      LEU  74  12.474  -6.837  -8.372
  602   3HD2  LEU  74          3HD2      LEU  74  11.018  -6.393  -7.482
  603    H    ALA  75           H        ALA  75  11.612  -3.608 -12.641
  604    HA   ALA  75           HA       ALA  75  14.328  -4.091 -13.264
  605   1HB   ALA  75          1HB       ALA  75  11.850  -3.831 -14.942
  606   2HB   ALA  75          2HB       ALA  75  13.432  -4.218 -15.623
  607   3HB   ALA  75          3HB       ALA  75  12.687  -5.304 -14.447
  608    H    LYS  76           H        LYS  76  12.274  -1.305 -13.546
  609    HA   LYS  76           HA       LYS  76  13.875   0.084 -15.445
  610   1HB   LYS  76          2HB       LYS  76  11.784   1.177 -13.557
  611   2HB   LYS  76          3HB       LYS  76  12.432   1.999 -14.970
  612   1HG   LYS  76          2HG       LYS  76  11.518  -0.437 -15.941
  613   2HG   LYS  76          3HG       LYS  76  10.297   0.070 -14.771
  614   1HD   LYS  76          2HD       LYS  76   9.586   1.040 -16.773
  615   2HD   LYS  76          3HD       LYS  76  10.420   2.354 -15.941
  616   1HE   LYS  76          2HE       LYS  76  12.488   1.380 -17.284
  617   2HE   LYS  76          3HE       LYS  76  11.206   0.831 -18.364
  618   1HZ   LYS  76          HZ1       LYS  76  11.400   3.637 -17.438
  619   2HZ   LYS  76          HZ2       LYS  76  12.192   3.089 -18.836
  620   3HZ   LYS  76          HZ3       LYS  76  10.498   3.020 -18.736
  621    H    SER  77           H        SER  77  13.793  -0.099 -11.969
  622    HA   SER  77           HA       SER  77  15.489   2.194 -11.590
  623   1HB   SER  77          2HB       SER  77  14.785   0.008  -9.618
  624   2HB   SER  77          3HB       SER  77  15.469   1.590  -9.240
  625    HG   SER  77           HG       SER  77  12.895   0.992 -10.265
  626    H    GLY  78           H        GLY  78  15.882  -1.315 -11.723
  627   1HA   GLY  78          1HA       GLY  78  17.902  -2.189 -12.693
  628   2HA   GLY  78          2HA       GLY  78  18.778  -0.853 -11.960
  629    H    LEU  79           H        LEU  79  17.327  -3.975 -11.431
  630    HA   LEU  79           HA       LEU  79  18.867  -4.172  -8.940
  631   1HB   LEU  79          2HB       LEU  79  15.974  -4.826  -9.368
  632   2HB   LEU  79          3HB       LEU  79  16.903  -5.648  -8.127
  633    HG   LEU  79           HG       LEU  79  17.166  -2.736  -8.035
  634   1HD1  LEU  79          1HD1      LEU  79  14.751  -3.234  -8.816
  635   2HD1  LEU  79          2HD1      LEU  79  14.517  -3.799  -7.161
  636   3HD1  LEU  79          3HD1      LEU  79  15.015  -2.134  -7.463
  637   1HD2  LEU  79          1HD2      LEU  79  17.393  -4.955  -6.326
  638   2HD2  LEU  79          2HD2      LEU  79  17.673  -3.257  -5.942
  639   3HD2  LEU  79          3HD2      LEU  79  16.078  -3.966  -5.691
  640    H    ASP  80           H        ASP  80  19.648  -6.230  -8.422
  641    HA   ASP  80           HA       ASP  80  19.288  -8.324 -10.436
  642   1HB   ASP  80          2HB       ASP  80  21.378  -7.984 -11.197
  643   2HB   ASP  80          3HB       ASP  80  21.668  -6.755  -9.978
  644    HA   PRO  81           HA       PRO  81  18.290 -10.730  -6.947
  645   1HB   PRO  81          2HB       PRO  81  19.415 -13.038  -8.440
  646   2HB   PRO  81          3HB       PRO  81  17.787 -12.795  -7.785
  647   1HG   PRO  81          2HG       PRO  81  18.230 -12.597 -10.399
  648   2HG   PRO  81          3HG       PRO  81  17.119 -11.483  -9.579
  649   1HD   PRO  81          2HD       PRO  81  19.933 -11.027 -10.490
  650   2HD   PRO  81          3HD       PRO  81  18.531  -9.940 -10.574
  651    H    GLU  82           H        GLU  82  21.524 -10.284  -7.746
  652    HA   GLU  82           HA       GLU  82  22.464 -12.022  -5.576
  653   1HB   GLU  82          2HB       GLU  82  23.725 -10.771  -7.939
  654   2HB   GLU  82          3HB       GLU  82  24.697 -10.819  -6.476
  655   1HG   GLU  82          2HG       GLU  82  23.402 -13.203  -7.771
  656   2HG   GLU  82          3HG       GLU  82  25.099 -12.745  -7.930
  657    H    LYS  83           H        LYS  83  21.287  -8.974  -6.078
  658    HA   LYS  83           HA       LYS  83  22.991  -7.684  -4.088
  659   1HB   LYS  83          2HB       LYS  83  20.596  -6.502  -5.493
  660   2HB   LYS  83          3HB       LYS  83  21.873  -5.643  -4.645
  661   1HG   LYS  83          2HG       LYS  83  23.116  -7.161  -6.663
  662   2HG   LYS  83          3HG       LYS  83  21.712  -6.379  -7.390
  663   1HD   LYS  83          2HD       LYS  83  22.518  -4.264  -6.998
  664   2HD   LYS  83          3HD       LYS  83  23.501  -4.779  -5.625
  665   1HE   LYS  83          2HE       LYS  83  24.065  -5.021  -8.556
  666   2HE   LYS  83          3HE       LYS  83  25.075  -4.337  -7.283
  667   1HZ   LYS  83          HZ1       LYS  83  25.332  -6.609  -6.385
  668   2HZ   LYS  83          HZ2       LYS  83  24.479  -7.212  -7.727
  669   3HZ   LYS  83          HZ3       LYS  83  25.971  -6.435  -7.950
  670    HA   PRO  84           HA       PRO  84  20.004  -8.913  -0.938
  671   1HB   PRO  84          2HB       PRO  84  21.722  -7.233   0.762
  672   2HB   PRO  84          3HB       PRO  84  21.325  -8.947   0.924
  673   1HG   PRO  84          2HG       PRO  84  23.777  -8.131   0.188
  674   2HG   PRO  84          3HG       PRO  84  23.051  -9.613  -0.461
  675   1HD   PRO  84          2HD       PRO  84  23.270  -6.900  -1.719
  676   2HD   PRO  84          3HD       PRO  84  23.536  -8.505  -2.445
  677    H    VAL  85           H        VAL  85  18.249  -7.791  -0.155
  678    HA   VAL  85           HA       VAL  85  18.329  -4.862  -0.342
  679    HB   VAL  85           HB       VAL  85  15.897  -5.122  -1.282
  680   1HG1  VAL  85          1HG1      VAL  85  18.263  -4.411  -2.373
  681   2HG1  VAL  85          2HG1      VAL  85  17.819  -5.764  -3.412
  682   3HG1  VAL  85          3HG1      VAL  85  16.728  -4.388  -3.240
  683   1HG2  VAL  85          1HG2      VAL  85  17.124  -7.791  -1.806
  684   2HG2  VAL  85          2HG2      VAL  85  15.475  -7.387  -1.330
  685   3HG2  VAL  85          3HG2      VAL  85  16.013  -7.094  -2.983
  686    H    VAL  86           H        VAL  86  16.937  -3.756   0.970
  687    HA   VAL  86           HA       VAL  86  15.301  -5.361   2.807
  688    HB   VAL  86           HB       VAL  86  16.995  -4.559   4.231
  689   1HG1  VAL  86          1HG1      VAL  86  16.869  -2.060   2.606
  690   2HG1  VAL  86          2HG1      VAL  86  17.535  -2.031   4.237
  691   3HG1  VAL  86          3HG1      VAL  86  18.258  -3.070   3.009
  692   1HG2  VAL  86          1HG2      VAL  86  14.388  -3.501   4.473
  693   2HG2  VAL  86          2HG2      VAL  86  15.556  -3.833   5.752
  694   3HG2  VAL  86          3HG2      VAL  86  15.513  -2.243   4.990
  695    H    VAL  87           H        VAL  87  13.244  -4.558   3.177
  696    HA   VAL  87           HA       VAL  87  12.420  -2.495   1.263
  697    HB   VAL  87           HB       VAL  87  10.084  -3.401   1.729
  698   1HG1  VAL  87          1HG1      VAL  87  12.266  -4.697   0.228
  699   2HG1  VAL  87          2HG1      VAL  87  10.804  -5.658   0.452
  700   3HG1  VAL  87          3HG1      VAL  87  10.712  -4.080  -0.330
  701   1HG2  VAL  87          1HG2      VAL  87  10.670  -4.575   3.826
  702   2HG2  VAL  87          2HG2      VAL  87   9.890  -5.624   2.642
  703   3HG2  VAL  87          3HG2      VAL  87  11.635  -5.715   2.886
  704    H    PHE  88           H        PHE  88  11.734  -0.594   1.915
  705    HA   PHE  88           HA       PHE  88  11.099  -0.227   4.768
  706   1HB   PHE  88          2HB       PHE  88  13.151   0.965   3.595
  707   2HB   PHE  88          3HB       PHE  88  11.904   2.064   3.017
  708    HD1  PHE  88           HD1      PHE  88  12.725   0.385   6.274
  709    HD2  PHE  88           HD2      PHE  88  11.739   3.989   4.228
  710    HE1  PHE  88           HE1      PHE  88  12.764   1.603   8.398
  711    HE2  PHE  88           HE2      PHE  88  11.778   5.201   6.348
  712    HZ   PHE  88           HZ       PHE  88  12.289   4.013   8.441
  713    H    CYS  89           H        CYS  89   9.386   1.200   5.274
  714    HA   CYS  89           HA       CYS  89   7.683   2.441   3.412
  715   1HB   CYS  89          2HB       CYS  89   5.973   0.902   3.003
  716   2HB   CYS  89          3HB       CYS  89   7.435  -0.059   2.824
  717    H    LYS  90           H        LYS  90   5.221   2.187   4.477
  718    HA   LYS  90           HA       LYS  90   5.410   2.479   7.374
  719   1HB   LYS  90          2HB       LYS  90   5.588   4.737   6.008
  720   2HB   LYS  90          3HB       LYS  90   3.850   4.530   5.841
  721   1HG   LYS  90          2HG       LYS  90   3.461   4.838   8.087
  722   2HG   LYS  90          3HG       LYS  90   5.101   4.370   8.542
  723   1HD   LYS  90          2HD       LYS  90   5.562   6.546   8.681
  724   2HD   LYS  90          3HD       LYS  90   5.458   6.586   6.920
  725   1HE   LYS  90          2HE       LYS  90   2.823   6.732   7.711
  726   2HE   LYS  90          3HE       LYS  90   3.662   7.696   8.927
  727   1HZ   LYS  90          HZ1       LYS  90   4.712   8.372   6.435
  728   2HZ   LYS  90          HZ2       LYS  90   3.024   8.384   6.277
  729   3HZ   LYS  90          HZ3       LYS  90   3.775   9.335   7.464
  730    H    THR  91           H        THR  91   4.415   0.284   6.385
  731    HA   THR  91           HA       THR  91   1.657   0.240   7.021
  732    HB   THR  91           HB       THR  91   2.325   0.961   4.304
  733    HG1  THR  91           HG1      THR  91   0.738   1.961   5.574
  734   1HG2  THR  91          1HG2      THR  91   2.020  -1.598   4.086
  735   2HG2  THR  91          2HG2      THR  91   0.317  -1.263   4.405
  736   3HG2  THR  91          3HG2      THR  91   1.112  -0.543   3.005
  737    H    ALA  92           H        ALA  92   4.525  -1.250   5.853
  738    HA   ALA  92           HA       ALA  92   5.392  -3.316   6.125
  739   1HB   ALA  92          1HB       ALA  92   2.893  -3.641   7.711
  740   2HB   ALA  92          2HB       ALA  92   3.861  -5.063   7.319
  741   3HB   ALA  92          3HB       ALA  92   4.578  -3.729   8.224
  742    H    ALA  93           H        ALA  93   2.030  -3.370   5.071
  743    HA   ALA  93           HA       ALA  93   1.915  -5.840   3.908
  744   1HB   ALA  93          1HB       ALA  93   0.315  -3.546   3.980
  745   2HB   ALA  93          2HB       ALA  93   0.443  -4.009   2.283
  746   3HB   ALA  93          3HB       ALA  93  -0.143  -5.172   3.473
  747    H    ARG  94           H        ARG  94   2.702  -2.824   2.120
  748    HA   ARG  94           HA       ARG  94   3.213  -4.308  -0.260
  749   1HB   ARG  94          2HB       ARG  94   2.443  -1.855  -0.060
  750   2HB   ARG  94          3HB       ARG  94   4.147  -1.485   0.168
  751   1HG   ARG  94          2HG       ARG  94   3.739  -1.167  -2.123
  752   2HG   ARG  94          3HG       ARG  94   4.567  -2.721  -2.008
  753   1HD   ARG  94          2HD       ARG  94   1.685  -3.001  -1.810
  754   2HD   ARG  94          3HD       ARG  94   2.165  -2.205  -3.306
  755    HE   ARG  94           HE       ARG  94   2.916  -4.916  -2.463
  756   1HH1  ARG  94          1HH1      ARG  94   2.915  -2.419  -4.919
  757   2HH1  ARG  94          2HH1      ARG  94   3.330  -3.510  -6.216
  758   1HH2  ARG  94          1HH2      ARG  94   3.441  -6.355  -4.184
  759   2HH2  ARG  94          2HH2      ARG  94   3.610  -5.732  -5.791
  760    H    ALA  95           H        ALA  95   5.125  -3.385   2.441
  761    HA   ALA  95           HA       ALA  95   7.693  -3.610   1.214
  762   1HB   ALA  95          1HB       ALA  95   7.296  -2.498   3.406
  763   2HB   ALA  95          2HB       ALA  95   6.971  -4.083   4.105
  764   3HB   ALA  95          3HB       ALA  95   8.568  -3.719   3.454
  765    H    ALA  96           H        ALA  96   5.738  -5.790   3.224
  766    HA   ALA  96           HA       ALA  96   7.321  -8.088   2.937
  767   1HB   ALA  96          1HB       ALA  96   5.193  -7.513   4.429
  768   2HB   ALA  96          2HB       ALA  96   4.384  -8.411   3.142
  769   3HB   ALA  96          3HB       ALA  96   5.679  -9.171   4.069
  770    H    LEU  97           H        LEU  97   4.759  -6.745   0.914
  771    HA   LEU  97           HA       LEU  97   4.523  -9.007  -0.789
  772   1HB   LEU  97          2HB       LEU  97   3.486  -6.283  -0.737
  773   2HB   LEU  97          3HB       LEU  97   3.847  -6.834  -2.366
  774    HG   LEU  97           HG       LEU  97   1.479  -7.206  -1.574
  775   1HD1  LEU  97          1HD1      LEU  97   3.265  -8.969  -2.983
  776   2HD1  LEU  97          2HD1      LEU  97   1.974  -9.876  -2.198
  777   3HD1  LEU  97          3HD1      LEU  97   1.581  -8.572  -3.315
  778   1HD2  LEU  97          1HD2      LEU  97   2.719  -8.292   0.652
  779   2HD2  LEU  97          2HD2      LEU  97   1.006  -8.403   0.243
  780   3HD2  LEU  97          3HD2      LEU  97   2.114  -9.693  -0.231
  781    H    ALA  98           H        ALA  98   6.589  -6.144  -0.837
  782    HA   ALA  98           HA       ALA  98   7.662  -6.697  -3.434
  783   1HB   ALA  98          1HB       ALA  98   7.600  -4.466  -2.070
  784   2HB   ALA  98          2HB       ALA  98   9.127  -5.057  -1.416
  785   3HB   ALA  98          3HB       ALA  98   8.948  -4.810  -3.153
  786    H    GLY  99           H        GLY  99   8.819  -7.120  -0.112
  787   1HA   GLY  99          1HA       GLY  99  11.308  -8.248  -0.855
  788   2HA   GLY  99          2HA       GLY  99  10.585  -8.311   0.743
  789    H    LYS 100           H        LYS 100   8.392  -9.834   0.475
  790    HA   LYS 100           HA       LYS 100   9.514 -12.387   0.444
  791   1HB   LYS 100          2HB       LYS 100   7.545 -13.101   1.317
  792   2HB   LYS 100          3HB       LYS 100   7.280 -11.375   1.516
  793   1HG   LYS 100          2HG       LYS 100   5.397 -11.602   0.381
  794   2HG   LYS 100          3HG       LYS 100   6.356 -11.977  -1.053
  795   1HD   LYS 100          2HD       LYS 100   6.390 -14.380   0.130
  796   2HD   LYS 100          3HD       LYS 100   4.856 -13.775   0.759
  797   1HE   LYS 100          2HE       LYS 100   4.143 -13.279  -1.548
  798   2HE   LYS 100          3HE       LYS 100   5.651 -13.970  -2.141
  799   1HZ   LYS 100          HZ1       LYS 100   4.308 -15.758  -0.378
  800   2HZ   LYS 100          HZ2       LYS 100   3.310 -15.313  -1.675
  801   3HZ   LYS 100          HZ3       LYS 100   4.830 -16.007  -1.972
  802    H    THR 101           H        THR 101   7.900 -10.611  -2.087
  803    HA   THR 101           HA       THR 101   7.576 -12.862  -3.827
  804    HB   THR 101           HB       THR 101   7.603  -9.914  -4.513
  805    HG1  THR 101           HG1      THR 101   5.797  -9.981  -3.410
  806   1HG2  THR 101          1HG2      THR 101   7.802 -11.883  -6.304
  807   2HG2  THR 101          2HG2      THR 101   6.052 -11.898  -6.075
  808   3HG2  THR 101          3HG2      THR 101   6.861 -10.419  -6.598
  809    H    LEU 102           H        LEU 102  10.035 -10.374  -3.339
  810    HA   LEU 102           HA       LEU 102  11.618 -10.989  -5.595
  811   1HB   LEU 102          2HB       LEU 102  12.081  -9.568  -3.012
  812   2HB   LEU 102          3HB       LEU 102  13.468  -9.997  -3.996
  813    HG   LEU 102           HG       LEU 102  11.172  -8.205  -4.776
  814   1HD1  LEU 102          1HD1      LEU 102  14.087  -7.761  -4.216
  815   2HD1  LEU 102          2HD1      LEU 102  13.100  -6.600  -5.103
  816   3HD1  LEU 102          3HD1      LEU 102  12.694  -7.012  -3.436
  817   1HD2  LEU 102          1HD2      LEU 102  12.603  -9.879  -6.462
  818   2HD2  LEU 102          2HD2      LEU 102  11.655  -8.467  -6.928
  819   3HD2  LEU 102          3HD2      LEU 102  13.386  -8.307  -6.627
  820    H    ARG 103           H        ARG 103  11.768 -12.123  -2.220
  821    HA   ARG 103           HA       ARG 103  14.002 -13.832  -2.625
  822   1HB   ARG 103          2HB       ARG 103  13.383 -14.871  -0.491
  823   2HB   ARG 103          3HB       ARG 103  13.351 -13.119  -0.378
  824   1HG   ARG 103          2HG       ARG 103  11.305 -13.260   0.454
  825   2HG   ARG 103          3HG       ARG 103  10.756 -13.899  -1.093
  826   1HD   ARG 103          2HD       ARG 103  10.108 -15.623   0.196
  827   2HD   ARG 103          3HD       ARG 103  11.775 -16.129  -0.055
  828    HE   ARG 103           HE       ARG 103  10.653 -14.918   2.381
  829   1HH1  ARG 103          1HH1      ARG 103  13.258 -16.609   0.728
  830   2HH1  ARG 103          2HH1      ARG 103  14.188 -16.845   2.180
  831   1HH2  ARG 103          1HH2      ARG 103  11.889 -15.227   4.280
  832   2HH2  ARG 103          2HH2      ARG 103  13.416 -16.065   4.196
  833    H    GLU 104           H        GLU 104  10.631 -14.110  -3.279
  834    HA   GLU 104           HA       GLU 104  10.520 -16.950  -3.542
  835   1HB   GLU 104          2HB       GLU 104   8.702 -14.734  -3.730
  836   2HB   GLU 104          3HB       GLU 104   8.498 -15.786  -5.124
  837   1HG   GLU 104          2HG       GLU 104   8.462 -17.683  -3.349
  838   2HG   GLU 104          3HG       GLU 104   8.080 -16.373  -2.232
  839    H    TYR 105           H        TYR 105  11.976 -14.580  -5.425
  840    HA   TYR 105           HA       TYR 105  11.721 -16.214  -7.861
  841   1HB   TYR 105          HB2       TYR 105  12.577 -13.333  -7.532
  842   2HB   TYR 105          HB3       TYR 105  12.649 -14.216  -9.054
  843    HD1  TYR 105           HD1      TYR 105  10.054 -15.767  -8.730
  844    HD2  TYR 105           HD2      TYR 105  11.001 -11.660  -8.120
  845    HE1  TYR 105           HE1      TYR 105   7.706 -15.167  -9.158
  846    HE2  TYR 105           HE2      TYR 105   8.654 -11.058  -8.538
  847    HH   TYR 105           HH       TYR 105   6.561 -12.659 -10.020
  848    H    GLY 106           H        GLY 106  13.829 -15.295  -5.350
  849   1HA   GLY 106          1HA       GLY 106  15.732 -16.807  -5.062
  850   2HA   GLY 106          2HA       GLY 106  16.043 -16.620  -6.781
  851    H    PHE 107           H        PHE 107  15.513 -14.364  -4.060
  852    HA   PHE 107           HA       PHE 107  17.795 -12.806  -5.014
  853   1HB   PHE 107          2HB       PHE 107  15.344 -12.185  -3.567
  854   2HB   PHE 107          3HB       PHE 107  16.767 -11.491  -2.795
  855    HD1  PHE 107           HD1      PHE 107  15.235 -11.843  -6.179
  856    HD2  PHE 107           HD2      PHE 107  17.504  -9.431  -3.505
  857    HE1  PHE 107           HE1      PHE 107  15.235 -10.016  -7.831
  858    HE2  PHE 107           HE2      PHE 107  17.508  -7.602  -5.153
  859    HZ   PHE 107           HZ       PHE 107  16.374  -7.895  -7.319
  860    H    LYS 108           H        LYS 108  19.235 -11.896  -3.235
  861    HA   LYS 108           HA       LYS 108  20.365 -14.133  -1.868
  862   1HB   LYS 108          2HB       LYS 108  21.357 -11.793  -2.899
  863   2HB   LYS 108          3HB       LYS 108  21.413 -11.482  -1.170
  864   1HG   LYS 108          2HG       LYS 108  22.713 -13.536  -0.852
  865   2HG   LYS 108          3HG       LYS 108  22.676 -13.814  -2.595
  866   1HD   LYS 108          2HD       LYS 108  23.835 -11.665  -2.933
  867   2HD   LYS 108          3HD       LYS 108  23.920 -11.455  -1.184
  868   1HE   LYS 108          2HE       LYS 108  25.619 -12.910  -0.970
  869   2HE   LYS 108          3HE       LYS 108  24.933 -14.026  -2.149
  870   1HZ   LYS 108          HZ1       LYS 108  26.261 -11.495  -2.931
  871   2HZ   LYS 108          HZ2       LYS 108  27.095 -12.962  -2.777
  872   3HZ   LYS 108          HZ3       LYS 108  25.859 -12.813  -3.922
  873    H    THR 109           H        THR 109  20.471 -11.128  -0.162
  874    HA   THR 109           HA       THR 109  19.054 -12.387   2.081
  875    HB   THR 109           HB       THR 109  20.632  -9.940   2.575
  876    HG1  THR 109           HG1      THR 109  22.559 -10.765   2.079
  877   1HG2  THR 109          1HG2      THR 109  19.573 -11.303   4.354
  878   2HG2  THR 109          2HG2      THR 109  20.612 -12.655   3.898
  879   3HG2  THR 109          3HG2      THR 109  21.322 -11.175   4.544
  880    H    ILE 110           H        ILE 110  17.088 -11.630   2.553
  881    HA   ILE 110           HA       ILE 110  16.452  -8.904   1.646
  882    HB   ILE 110           HB       ILE 110  15.424 -10.834   0.356
  883   1HG1  ILE 110          2HG1      ILE 110  13.067  -9.387   1.210
  884   2HG1  ILE 110          3HG1      ILE 110  14.455  -8.315   1.035
  885   1HG2  ILE 110          1HG2      ILE 110  14.337 -11.398   3.002
  886   2HG2  ILE 110          2HG2      ILE 110  13.119 -11.351   1.728
  887   3HG2  ILE 110          3HG2      ILE 110  14.498 -12.442   1.590
  888   1HD1  ILE 110          1HD1      ILE 110  13.657 -10.270  -1.092
  889   2HD1  ILE 110          2HD1      ILE 110  13.004  -8.634  -1.002
  890   3HD1  ILE 110          3HD1      ILE 110  14.734  -8.880  -1.225
  891    H    TYR 111           H        TYR 111  15.750  -7.501   3.100
  892    HA   TYR 111           HA       TYR 111  14.902  -8.537   5.727
  893   1HB   TYR 111          HB2       TYR 111  16.061  -5.790   5.426
  894   2HB   TYR 111          HB3       TYR 111  16.081  -6.859   6.821
  895    HD1  TYR 111           HD1      TYR 111  17.568  -6.391   3.443
  896    HD2  TYR 111           HD2      TYR 111  17.989  -8.130   7.308
  897    HE1  TYR 111           HE1      TYR 111  19.876  -7.025   2.895
  898    HE2  TYR 111           HE2      TYR 111  20.302  -8.775   6.764
  899    HH   TYR 111           HH       TYR 111  21.984  -8.573   5.289
  900    H    ASN 112           H        ASN 112  13.242  -7.468   6.801
  901    HA   ASN 112           HA       ASN 112  11.700  -5.527   5.196
  902   1HB   ASN 112          2HB       ASN 112  10.714  -7.912   5.670
  903   2HB   ASN 112          3HB       ASN 112  10.450  -7.288   7.294
  904   1HD2  ASN 112          1HD2      ASN 112   8.648  -8.089   5.018
  905   2HD2  ASN 112          2HD2      ASN 112   7.558  -6.744   4.857
  906    H    SER 113           H        SER 113  10.908  -3.725   6.314
  907    HA   SER 113           HA       SER 113  12.541  -3.010   8.533
  908   1HB   SER 113          2HB       SER 113  12.240  -1.148   7.252
  909   2HB   SER 113          3HB       SER 113  10.632  -1.642   6.726
  910    HG   SER 113           HG       SER 113   9.772  -0.860   8.598
  911    H    GLU 114           H        GLU 114  12.121  -2.948  10.608
  912    HA   GLU 114           HA       GLU 114   9.442  -3.708  11.540
  913   1HB   GLU 114          2HB       GLU 114  11.237  -5.112  12.380
  914   2HB   GLU 114          3HB       GLU 114  12.126  -3.706  12.938
  915   1HG   GLU 114          2HG       GLU 114  11.121  -4.821  14.803
  916   2HG   GLU 114          3HG       GLU 114  10.360  -3.251  14.575
  917    H    GLY 115           H        GLY 115  10.987  -1.019  10.759
  918   1HA   GLY 115          1HA       GLY 115   9.971   0.537  13.046
  919   2HA   GLY 115          2HA       GLY 115  11.176   1.107  11.901
  920    H    GLY 116           H        GLY 116  10.537   1.903   9.917
  921   1HA   GLY 116          1HA       GLY 116   8.409   1.920   8.408
  922   2HA   GLY 116          2HA       GLY 116   7.724   2.708   9.825
  923    H    MET 117           H        MET 117   7.856   3.948   7.311
  924    HA   MET 117           HA       MET 117  10.100   5.499   6.812
  925   1HB   MET 117          2HB       MET 117   8.514   5.473   5.107
  926   2HB   MET 117          3HB       MET 117   7.188   5.844   6.198
  927   1HG   MET 117          2HG       MET 117   8.952   8.033   6.304
  928   2HG   MET 117          3HG       MET 117   8.763   7.610   4.603
  929   1HE   MET 117          1HE       MET 117   7.178   8.092   3.244
  930   2HE   MET 117          2HE       MET 117   5.553   8.726   3.520
  931   3HE   MET 117          3HE       MET 117   6.953   9.785   3.685
  932    H    ASP 118           H        ASP 118   7.346   6.186   8.917
  933    HA   ASP 118           HA       ASP 118   8.203   8.793   9.662
  934   1HB   ASP 118          2HB       ASP 118   6.488   8.681  11.359
  935   2HB   ASP 118          3HB       ASP 118   5.851   7.968   9.881
  936    H    LYS 119           H        LYS 119   8.971   5.560  10.720
  937    HA   LYS 119           HA       LYS 119  10.173   6.300  13.204
  938   1HB   LYS 119          2HB       LYS 119   9.853   3.863  11.585
  939   2HB   LYS 119          3HB       LYS 119  11.342   3.930  12.520
  940   1HG   LYS 119          2HG       LYS 119   9.916   2.904  14.002
  941   2HG   LYS 119          3HG       LYS 119   9.740   4.595  14.477
  942   1HD   LYS 119          2HD       LYS 119   7.811   4.554  12.690
  943   2HD   LYS 119          3HD       LYS 119   7.839   2.821  13.018
  944   1HE   LYS 119          2HE       LYS 119   6.385   3.383  14.649
  945   2HE   LYS 119          3HE       LYS 119   7.859   3.773  15.535
  946   1HZ   LYS 119          HZ1       LYS 119   6.452   5.783  13.876
  947   2HZ   LYS 119          HZ2       LYS 119   6.041   5.514  15.502
  948   3HZ   LYS 119          HZ3       LYS 119   7.604   6.039  15.100
  949    H    TRP 120           H        TRP 120  11.211   6.008   9.879
  950    HA   TRP 120           HA       TRP 120  13.999   6.049  10.223
  951   1HB   TRP 120          HB2       TRP 120  12.633   5.718   8.076
  952   2HB   TRP 120          HB3       TRP 120  12.529   7.471   8.004
  953    HD1  TRP 120           HD1      TRP 120  14.601   8.767   7.139
  954    HE1  TRP 120           HE1      TRP 120  16.863   8.076   6.127
  955    HE3  TRP 120           HE3      TRP 120  14.455   3.776   8.216
  956    HZ2  TRP 120           HZ2      TRP 120  18.377   5.710   5.809
  957    HZ3  TRP 120           HZ3      TRP 120  16.351   2.365   7.510
  958    HH2  TRP 120           HH2      TRP 120  18.265   3.313   6.332
  959    H    LEU 121           H        LEU 121  11.634   8.680   9.902
  960    HA   LEU 121           HA       LEU 121  13.464  10.809  10.285
  961   1HB   LEU 121          2HB       LEU 121  10.557  10.431  10.135
  962   2HB   LEU 121          3HB       LEU 121  11.045  11.742  11.188
  963    HG   LEU 121           HG       LEU 121  11.375  11.488   8.217
  964   1HD1  LEU 121          1HD1      LEU 121   9.476  12.680   9.517
  965   2HD1  LEU 121          2HD1      LEU 121  10.687  13.935   9.786
  966   3HD1  LEU 121          3HD1      LEU 121  10.232  13.486   8.143
  967   1HD2  LEU 121          1HD2      LEU 121  13.347  12.564  10.055
  968   2HD2  LEU 121          2HD2      LEU 121  13.447  12.315   8.311
  969   3HD2  LEU 121          3HD2      LEU 121  12.732  13.796   8.951
  970    H    GLU 122           H        GLU 122  11.470   8.859  12.451
  971    HA   GLU 122           HA       GLU 122  11.828  10.418  14.770
  972   1HB   GLU 122          2HB       GLU 122  11.028   7.560  14.309
  973   2HB   GLU 122          3HB       GLU 122  11.245   8.182  15.940
  974   1HG   GLU 122          2HG       GLU 122   9.606   9.995  15.347
  975   2HG   GLU 122          3HG       GLU 122   9.282   9.105  13.863
  976    H    GLU 123           H        GLU 123  13.722   7.750  13.415
  977    HA   GLU 123           HA       GLU 123  15.453   7.642  15.729
  978   1HB   GLU 123          2HB       GLU 123  15.823   6.285  13.051
  979   2HB   GLU 123          3HB       GLU 123  16.621   5.875  14.564
  980   1HG   GLU 123          2HG       GLU 123  14.099   5.588  15.354
  981   2HG   GLU 123          3HG       GLU 123  13.876   5.272  13.637
  982    H    GLY 124           H        GLY 124  15.151   9.864  13.446
  983   1HA   GLY 124          1HA       GLY 124  16.472  11.646  12.874
  984   2HA   GLY 124          2HA       GLY 124  17.658  11.030  14.010
  985    H    LEU 125           H        LEU 125  16.546   9.128  11.305
  986    HA   LEU 125           HA       LEU 125  19.269   8.987  10.346
  987   1HB   LEU 125          2HB       LEU 125  16.728   7.558   9.587
  988   2HB   LEU 125          3HB       LEU 125  18.237   7.318   8.725
  989    HG   LEU 125           HG       LEU 125  17.788   6.753  11.657
  990   1HD1  LEU 125          1HD1      LEU 125  17.240   5.223   9.302
  991   2HD1  LEU 125          2HD1      LEU 125  18.509   4.443  10.247
  992   3HD1  LEU 125          3HD1      LEU 125  16.954   4.816  10.995
  993   1HD2  LEU 125          1HD2      LEU 125  20.119   7.485  10.809
  994   2HD2  LEU 125          2HD2      LEU 125  19.990   6.032  11.802
  995   3HD2  LEU 125          3HD2      LEU 125  20.163   5.893  10.051
  996    HA   PRO 126           HA       PRO 126  19.248  11.814   7.006
  997   1HB   PRO 126          2HB       PRO 126  20.047  10.240   4.870
  998   2HB   PRO 126          3HB       PRO 126  21.138  10.944   6.069
  999   1HG   PRO 126          2HG       PRO 126  19.941   8.192   5.974
 1000   2HG   PRO 126          3HG       PRO 126  21.617   8.671   6.335
 1001   1HD   PRO 126          2HD       PRO 126  19.982   8.041   8.316
 1002   2HD   PRO 126          3HD       PRO 126  21.047   9.459   8.475
 1003    H    SER 127           H        SER 127  17.422  12.609   6.188
 1004    HA   SER 127           HA       SER 127  15.827  10.899   4.403
 1005   1HB   SER 127          2HB       SER 127  14.560  12.844   6.331
 1006   2HB   SER 127          3HB       SER 127  13.784  11.558   5.406
 1007    HG   SER 127           HG       SER 127  15.744  11.078   7.402
 1008    H    LEU 128           H        LEU 128  14.458  12.069   2.915
 1009    HA   LEU 128           HA       LEU 128  15.398  14.800   2.334
 1010   1HB   LEU 128          2HB       LEU 128  14.221  12.846   0.357
 1011   2HB   LEU 128          3HB       LEU 128  14.906  14.418   0.003
 1012    HG   LEU 128           HG       LEU 128  16.803  12.625   1.306
 1013   1HD1  LEU 128          1HD1      LEU 128  15.176  11.618  -0.885
 1014   2HD1  LEU 128          2HD1      LEU 128  16.901  11.609  -1.248
 1015   3HD1  LEU 128          3HD1      LEU 128  16.295  10.766   0.177
 1016   1HD2  LEU 128          1HD2      LEU 128  17.230  14.833   0.138
 1017   2HD2  LEU 128          2HD2      LEU 128  18.284  13.494  -0.318
 1018   3HD2  LEU 128          3HD2      LEU 128  16.959  13.976  -1.379
 1019    H    ASP 129           H        ASP 129  13.894  16.159   3.010
 1020    HA   ASP 129           HA       ASP 129  11.110  15.713   2.236
 1021   1HB   ASP 129          2HB       ASP 129  10.219  16.103   4.403
 1022   2HB   ASP 129          3HB       ASP 129  11.509  14.929   4.648
 1023    H    ARG 130           H        ARG 130   9.895  17.732   2.036
 1024    HA   ARG 130           HA       ARG 130  11.664  19.922   1.441
 1025   1HB   ARG 130          2HB       ARG 130   8.909  19.117   0.759
 1026   2HB   ARG 130          3HB       ARG 130   9.158  20.851   0.917
 1027   1HG   ARG 130          2HG       ARG 130  11.098  19.300  -0.709
 1028   2HG   ARG 130          3HG       ARG 130   9.492  19.602  -1.377
 1029   1HD   ARG 130          2HD       ARG 130   9.800  21.890  -1.424
 1030   2HD   ARG 130          3HD       ARG 130  11.047  21.852  -0.179
 1031    HE   ARG 130           HE       ARG 130  11.667  20.610  -2.750
 1032   1HH1  ARG 130          1HH1      ARG 130  12.066  23.341  -0.580
 1033   2HH1  ARG 130          2HH1      ARG 130  13.475  23.944  -1.404
 1034   1HH2  ARG 130          1HH2      ARG 130  13.515  21.417  -3.833
 1035   2HH2  ARG 130          2HH2      ARG 130  14.286  22.858  -3.250
 1036    H    SER 131           H        SER 131  12.178  20.106   3.791
 1037    HA   SER 131           HA       SER 131  10.286  21.144   5.623
 1038   1HB   SER 131          2HB       SER 131  13.117  21.896   5.989
 1039   2HB   SER 131          3HB       SER 131  12.010  21.086   7.098
 1040    HG   SER 131           HG       SER 131  12.290  19.170   5.775
 1041    H    HIS 132           H        HIS 132  12.203  22.531   3.088
 1042    HA   HIS 132           HA       HIS 132  11.351  25.224   3.930
 1043   1HB   HIS 132          2HB       HIS 132  13.886  24.329   3.139
 1044   2HB   HIS 132          3HB       HIS 132  13.265  25.226   1.756
 1045    HD1  HIS 132           HD1      HIS 132  14.770  27.248   2.024
 1046    HD2  HIS 132           HD2      HIS 132  12.558  26.375   5.438
 1047    HE1  HIS 132           HE1      HIS 132  15.082  29.218   3.559
 1048    HE2  HIS 132           HE2      HIS 132  13.931  28.552   5.703
 1049    H    HIS 133           H        HIS 133   9.578  25.835   2.941
 1050    HA   HIS 133           HA       HIS 133   8.951  24.861   0.253
 1051   1HB   HIS 133          2HB       HIS 133   7.315  25.051   2.334
 1052   2HB   HIS 133          3HB       HIS 133   7.156  26.713   1.775
 1053    HD1  HIS 133           HD1      HIS 133   6.487  23.165   0.693
 1054    HD2  HIS 133           HD2      HIS 133   5.574  27.058  -0.460
 1055    HE1  HIS 133           HE1      HIS 133   4.727  22.950  -1.095
 1056    HE2  HIS 133           HE2      HIS 133   4.036  25.319  -1.608
 1057    H    HIS 134           H        HIS 134  10.888  26.200  -0.405
 1058    HA   HIS 134           HA       HIS 134  10.657  29.038  -0.323
 1059   1HB   HIS 134          2HB       HIS 134  12.810  27.689  -0.401
 1060   2HB   HIS 134          3HB       HIS 134  12.494  27.461  -2.119
 1061    HD1  HIS 134           HD1      HIS 134  13.590  29.128  -3.565
 1062    HD2  HIS 134           HD2      HIS 134  12.823  30.634   0.236
 1063    HE1  HIS 134           HE1      HIS 134  14.530  31.465  -3.555
 1064    HE2  HIS 134           HE2      HIS 134  14.143  32.320  -1.212
 1065    H    HIS 135           H        HIS 135   9.285  30.154  -1.495
 1066    HA   HIS 135           HA       HIS 135   9.275  29.891  -4.360
 1067   1HB   HIS 135          2HB       HIS 135   7.181  28.627  -2.851
 1068   2HB   HIS 135          3HB       HIS 135   6.507  29.965  -3.776
 1069    HD1  HIS 135           HD1      HIS 135   9.244  27.535  -4.805
 1070    HD2  HIS 135           HD2      HIS 135   5.409  28.699  -5.913
 1071    HE1  HIS 135           HE1      HIS 135   8.762  26.322  -6.950
 1072    HE2  HIS 135           HE2      HIS 135   6.345  26.837  -7.449
 1073    H    HIS 136           H        HIS 136   9.480  31.917  -4.999
 1074    HA   HIS 136           HA       HIS 136   8.277  34.035  -3.353
 1075   1HB   HIS 136          2HB       HIS 136  10.894  33.705  -3.916
 1076   2HB   HIS 136          3HB       HIS 136  10.423  34.720  -5.275
 1077    HD1  HIS 136           HD1      HIS 136  10.617  37.140  -4.833
 1078    HD2  HIS 136           HD2      HIS 136   9.989  34.971  -1.340
 1079    HE1  HIS 136           HE1      HIS 136  10.709  38.823  -2.957
 1080    HE2  HIS 136           HE2      HIS 136  10.402  37.472  -0.847
 1081    H    HIS 137           H        HIS 137   7.567  35.980  -4.425
 1082    HA   HIS 137           HA       HIS 137   6.955  35.747  -7.273
 1083   1HB   HIS 137          2HB       HIS 137   4.985  34.882  -5.912
 1084   2HB   HIS 137          3HB       HIS 137   4.824  36.509  -5.264
 1085    HD1  HIS 137           HD1      HIS 137   5.763  36.669  -8.776
 1086    HD2  HIS 137           HD2      HIS 137   2.226  36.218  -6.624
 1087    HE1  HIS 137           HE1      HIS 137   3.907  37.226 -10.383
 1088    HE2  HIS 137           HE2      HIS 137   1.772  36.934  -9.068
 1089   1H    ALA   1           H1       ALA   1  24.797  -8.106 -19.764
 1090   2H    ALA   1           H2       ALA   1  25.065  -7.384 -18.253
 1091   3H    ALA   1           H3       ALA   1  24.607  -9.015 -18.343
 1092    HA   ALA   1           HA       ALA   1  22.958  -6.687 -19.132
 1093   1HB   ALA   1          1HB       ALA   1  22.555  -9.642 -19.385
 1094   2HB   ALA   1          2HB       ALA   1  21.171  -8.568 -19.180
 1095   3HB   ALA   1          3HB       ALA   1  22.247  -8.364 -20.561
 1096    H    ASP   2           H        ASP   2  20.892  -6.722 -17.793
 1097    HA   ASP   2           HA       ASP   2  21.576  -7.426 -15.014
 1098   1HB   ASP   2          2HB       ASP   2  20.478  -5.532 -14.212
 1099   2HB   ASP   2          3HB       ASP   2  21.258  -4.933 -15.669
 1100    H    MET   3           H        MET   3  19.960  -8.351 -13.724
 1101    HA   MET   3           HA       MET   3  18.190  -9.997 -15.304
 1102   1HB   MET   3          2HB       MET   3  18.846 -10.067 -12.357
 1103   2HB   MET   3          3HB       MET   3  17.871 -11.262 -13.202
 1104   1HG   MET   3          2HG       MET   3  20.401 -10.874 -14.521
 1105   2HG   MET   3          3HG       MET   3  20.625 -11.289 -12.823
 1106   1HE   MET   3          1HE       MET   3  20.711 -13.234 -11.935
 1107   2HE   MET   3          2HE       MET   3  19.100 -13.948 -11.889
 1108   3HE   MET   3          3HE       MET   3  20.429 -14.819 -12.652
 1109    H    GLY   4           H        GLY   4  17.804  -7.051 -14.089
 1110   1HA   GLY   4          1HA       GLY   4  15.495  -7.081 -12.535
 1111   2HA   GLY   4          2HA       GLY   4  15.978  -5.754 -13.582
 1112    H    GLU   5           H        GLU   5  15.861  -7.243 -15.993
 1113    HA   GLU   5           HA       GLU   5  13.094  -6.972 -16.655
 1114   1HB   GLU   5          2HB       GLU   5  14.069  -8.407 -18.736
 1115   2HB   GLU   5          3HB       GLU   5  14.203  -6.661 -18.592
 1116   1HG   GLU   5          2HG       GLU   5  16.438  -6.772 -17.910
 1117   2HG   GLU   5          3HG       GLU   5  16.324  -8.489 -17.521
 1118    H    LYS   6           H        LYS   6  15.132  -9.616 -15.745
 1119    HA   LYS   6           HA       LYS   6  13.551 -11.746 -16.633
 1120   1HB   LYS   6          2HB       LYS   6  15.571 -11.584 -14.403
 1121   2HB   LYS   6          3HB       LYS   6  14.797 -13.088 -14.884
 1122   1HG   LYS   6          2HG       LYS   6  16.320 -11.362 -16.811
 1123   2HG   LYS   6          3HG       LYS   6  17.083 -12.635 -15.855
 1124   1HD   LYS   6          2HD       LYS   6  14.963 -13.971 -16.893
 1125   2HD   LYS   6          3HD       LYS   6  15.305 -12.827 -18.193
 1126   1HE   LYS   6          2HE       LYS   6  16.913 -14.206 -18.871
 1127   2HE   LYS   6          3HE       LYS   6  17.799 -13.789 -17.407
 1128   1HZ   LYS   6          HZ1       LYS   6  16.425 -15.627 -16.325
 1129   2HZ   LYS   6          HZ2       LYS   6  16.063 -16.129 -17.905
 1130   3HZ   LYS   6          HZ3       LYS   6  17.674 -16.097 -17.371
 1131    H    PHE   7           H        PHE   7  13.619 -10.213 -13.387
 1132    HA   PHE   7           HA       PHE   7  11.396 -11.921 -12.623
 1133   1HB   PHE   7          2HB       PHE   7  11.605 -10.626 -10.403
 1134   2HB   PHE   7          3HB       PHE   7  12.849 -11.788 -10.834
 1135    HD1  PHE   7           HD1      PHE   7  12.065  -8.152 -10.965
 1136    HD2  PHE   7           HD2      PHE   7  15.070 -11.157 -10.759
 1137    HE1  PHE   7           HE1      PHE   7  13.767  -6.419 -10.573
 1138    HE2  PHE   7           HE2      PHE   7  16.776  -9.429 -10.371
 1139    HZ   PHE   7           HZ       PHE   7  16.124  -7.057 -10.273
 1140    H    ASP   8           H        ASP   8  11.864  -8.700 -13.719
 1141    HA   ASP   8           HA       ASP   8   9.765  -7.329 -12.561
 1142   1HB   ASP   8          2HB       ASP   8  10.970  -5.886 -13.844
 1143   2HB   ASP   8          3HB       ASP   8  11.275  -7.086 -15.092
 1144    H    ALA   9           H        ALA   9   9.680  -9.314 -15.497
 1145    HA   ALA   9           HA       ALA   9   6.955  -8.951 -16.073
 1146   1HB   ALA   9          1HB       ALA   9   9.142 -10.486 -17.082
 1147   2HB   ALA   9          2HB       ALA   9   7.716 -11.517 -16.949
 1148   3HB   ALA   9          3HB       ALA   9   7.641 -10.026 -17.888
 1149    H    THR  10           H        THR  10   8.661 -11.409 -14.180
 1150    HA   THR  10           HA       THR  10   6.426 -13.029 -13.651
 1151    HB   THR  10           HB       THR  10   8.421 -13.068 -11.532
 1152    HG1  THR  10           HG1      THR  10   9.559 -13.823 -13.962
 1153   1HG2  THR  10          1HG2      THR  10   6.931 -14.940 -12.095
 1154   2HG2  THR  10          2HG2      THR  10   7.679 -15.056 -13.686
 1155   3HG2  THR  10          3HG2      THR  10   8.625 -15.402 -12.238
 1156    H    PHE  11           H        PHE  11   7.886 -10.358 -11.811
 1157    HA   PHE  11           HA       PHE  11   6.478 -10.572  -9.450
 1158   1HB   PHE  11          2HB       PHE  11   8.362  -8.917 -10.289
 1159   2HB   PHE  11          3HB       PHE  11   6.993  -7.859 -10.607
 1160    HD1  PHE  11           HD1      PHE  11   5.277  -8.637  -8.247
 1161    HD2  PHE  11           HD2      PHE  11   9.429  -7.763  -8.581
 1162    HE1  PHE  11           HE1      PHE  11   5.306  -7.876  -5.903
 1163    HE2  PHE  11           HE2      PHE  11   9.462  -7.000  -6.248
 1164    HZ   PHE  11           HZ       PHE  11   7.401  -7.046  -4.907
 1165    H    LYS  12           H        LYS  12   5.584  -8.664 -12.308
 1166    HA   LYS  12           HA       LYS  12   3.053  -7.855 -11.280
 1167   1HB   LYS  12          2HB       LYS  12   4.529  -6.853 -13.222
 1168   2HB   LYS  12          3HB       LYS  12   3.586  -7.954 -14.214
 1169   1HG   LYS  12          2HG       LYS  12   2.719  -5.599 -14.051
 1170   2HG   LYS  12          3HG       LYS  12   1.559  -6.872 -13.673
 1171   1HD   LYS  12          2HD       LYS  12   1.826  -6.486 -11.311
 1172   2HD   LYS  12          3HD       LYS  12   3.139  -5.344 -11.603
 1173   1HE   LYS  12          2HE       LYS  12   1.659  -3.760 -12.573
 1174   2HE   LYS  12          3HE       LYS  12   0.348  -4.935 -12.654
 1175   1HZ   LYS  12          HZ1       LYS  12   1.418  -4.422  -9.994
 1176   2HZ   LYS  12          HZ2       LYS  12   0.590  -3.130 -10.712
 1177   3HZ   LYS  12          HZ3       LYS  12  -0.191  -4.612 -10.505
 1178    H    ALA  13           H        ALA  13   4.203 -10.685 -12.834
 1179    HA   ALA  13           HA       ALA  13   1.703 -11.652 -13.850
 1180   1HB   ALA  13          1HB       ALA  13   3.934 -12.450 -14.631
 1181   2HB   ALA  13          2HB       ALA  13   4.133 -13.267 -13.078
 1182   3HB   ALA  13          3HB       ALA  13   2.830 -13.747 -14.171
 1183    H    GLN  14           H        GLN  14   3.540 -12.106 -10.870
 1184    HA   GLN  14           HA       GLN  14   1.670 -13.930  -9.695
 1185   1HB   GLN  14          2HB       GLN  14   3.985 -12.333  -8.640
 1186   2HB   GLN  14          3HB       GLN  14   2.924 -13.209  -7.544
 1187   1HG   GLN  14          2HG       GLN  14   3.531 -15.086  -9.459
 1188   2HG   GLN  14          3HG       GLN  14   5.038 -14.187  -9.278
 1189   1HE2  GLN  14          1HE2      GLN  14   6.222 -14.425  -7.463
 1190   2HE2  GLN  14          2HE2      GLN  14   5.826 -15.521  -6.175
 1191    H    VAL  15           H        VAL  15   2.398 -10.501  -9.224
 1192    HA   VAL  15           HA       VAL  15   0.468  -9.944  -7.306
 1193    HB   VAL  15           HB       VAL  15   2.110  -8.380  -9.170
 1194   1HG1  VAL  15          1HG1      VAL  15  -0.252  -7.556  -9.636
 1195   2HG1  VAL  15          2HG1      VAL  15  -0.252  -6.959  -7.976
 1196   3HG1  VAL  15          3HG1      VAL  15   0.932  -6.346  -9.132
 1197   1HG2  VAL  15          1HG2      VAL  15   2.586  -8.856  -6.765
 1198   2HG2  VAL  15          2HG2      VAL  15   2.638  -7.147  -7.194
 1199   3HG2  VAL  15          3HG2      VAL  15   1.239  -7.801  -6.346
 1200    H    LYS  16           H        LYS  16   0.143 -10.175 -10.799
 1201    HA   LYS  16           HA       LYS  16  -2.419  -9.037 -11.073
 1202   1HB   LYS  16          2HB       LYS  16  -0.524 -10.363 -12.728
 1203   2HB   LYS  16          3HB       LYS  16  -2.081 -11.143 -12.963
 1204   1HG   LYS  16          2HG       LYS  16  -2.796  -8.535 -13.067
 1205   2HG   LYS  16          3HG       LYS  16  -1.169  -8.473 -13.750
 1206   1HD   LYS  16          2HD       LYS  16  -2.754  -8.804 -15.531
 1207   2HD   LYS  16          3HD       LYS  16  -1.817 -10.286 -15.318
 1208   1HE   LYS  16          2HE       LYS  16  -3.912 -10.701 -13.627
 1209   2HE   LYS  16          3HE       LYS  16  -4.679  -9.784 -14.922
 1210   1HZ   LYS  16          HZ1       LYS  16  -3.214 -11.564 -16.298
 1211   2HZ   LYS  16          HZ2       LYS  16  -3.632 -12.481 -14.935
 1212   3HZ   LYS  16          HZ3       LYS  16  -4.846 -11.783 -15.892
 1213    H    ALA  17           H        ALA  17  -1.358 -12.236 -10.120
 1214    HA   ALA  17           HA       ALA  17  -3.849 -13.544 -10.470
 1215   1HB   ALA  17          1HB       ALA  17  -1.231 -14.202  -9.384
 1216   2HB   ALA  17          2HB       ALA  17  -2.556 -14.983  -8.519
 1217   3HB   ALA  17          3HB       ALA  17  -2.381 -15.213 -10.260
 1218    H    ALA  18           H        ALA  18  -2.539 -11.551  -7.969
 1219    HA   ALA  18           HA       ALA  18  -4.128 -12.425  -5.817
 1220   1HB   ALA  18          1HB       ALA  18  -2.583  -9.938  -6.396
 1221   2HB   ALA  18          2HB       ALA  18  -3.643 -10.007  -4.987
 1222   3HB   ALA  18          3HB       ALA  18  -2.321 -11.164  -5.153
 1223    H    LYS  19           H        LYS  19  -4.646  -9.799  -8.184
 1224    HA   LYS  19           HA       LYS  19  -7.203  -9.080  -7.095
 1225   1HB   LYS  19          2HB       LYS  19  -7.327  -7.848  -9.386
 1226   2HB   LYS  19          3HB       LYS  19  -6.213  -7.278  -8.153
 1227   1HG   LYS  19          2HG       LYS  19  -4.352  -8.067  -9.288
 1228   2HG   LYS  19          3HG       LYS  19  -5.299  -9.207 -10.246
 1229   1HD   LYS  19          2HD       LYS  19  -6.157  -6.475 -10.677
 1230   2HD   LYS  19          3HD       LYS  19  -4.440  -6.682 -11.027
 1231   1HE   LYS  19          2HE       LYS  19  -4.913  -8.463 -12.570
 1232   2HE   LYS  19          3HE       LYS  19  -6.619  -8.453 -12.124
 1233   1HZ   LYS  19          HZ1       LYS  19  -6.074  -5.878 -12.904
 1234   2HZ   LYS  19          HZ2       LYS  19  -5.241  -6.841 -14.026
 1235   3HZ   LYS  19          HZ3       LYS  19  -6.907  -7.050 -13.803
 1236    H    ALA  20           H        ALA  20  -6.010 -11.417  -9.231
 1237    HA   ALA  20           HA       ALA  20  -8.370 -11.790 -10.818
 1238   1HB   ALA  20          1HB       ALA  20  -5.718 -12.992 -10.653
 1239   2HB   ALA  20          2HB       ALA  20  -6.991 -14.149 -11.040
 1240   3HB   ALA  20          3HB       ALA  20  -6.759 -12.722 -12.052
 1241    H    ASP  21           H        ASP  21  -7.457 -12.746  -7.673
 1242    HA   ASP  21           HA       ASP  21  -8.906 -15.196  -7.551
 1243   1HB   ASP  21          2HB       ASP  21  -7.031 -14.686  -6.029
 1244   2HB   ASP  21          3HB       ASP  21  -7.986 -13.401  -5.295
 1245    H    MET  22           H        MET  22  -9.846 -11.901  -7.341
 1246    HA   MET  22           HA       MET  22 -12.474 -12.733  -6.310
 1247   1HB   MET  22          2HB       MET  22 -12.616 -10.217  -5.650
 1248   2HB   MET  22          3HB       MET  22 -11.727 -11.336  -4.623
 1249   1HG   MET  22          2HG       MET  22  -9.709 -10.574  -6.139
 1250   2HG   MET  22          3HG       MET  22 -10.729  -9.158  -6.376
 1251   1HE   MET  22          1HE       MET  22 -12.070  -8.269  -4.371
 1252   2HE   MET  22          2HE       MET  22 -11.993  -9.264  -2.915
 1253   3HE   MET  22          3HE       MET  22 -11.206  -7.686  -2.949
 1254    H    VAL  23           H        VAL  23 -14.102 -10.803  -6.886
 1255    HA   VAL  23           HA       VAL  23 -14.306 -10.876  -9.749
 1256    HB   VAL  23           HB       VAL  23 -16.087  -9.239  -7.963
 1257   1HG1  VAL  23          1HG1      VAL  23 -16.134  -9.401 -10.587
 1258   2HG1  VAL  23          2HG1      VAL  23 -17.014 -10.891 -10.255
 1259   3HG1  VAL  23          3HG1      VAL  23 -17.626  -9.353  -9.650
 1260   1HG2  VAL  23          1HG2      VAL  23 -15.597 -11.790  -7.301
 1261   2HG2  VAL  23          2HG2      VAL  23 -17.170 -11.023  -7.091
 1262   3HG2  VAL  23          3HG2      VAL  23 -16.866 -12.038  -8.501
 1263    H    MET  24           H        MET  24 -13.027  -9.548 -10.894
 1264    HA   MET  24           HA       MET  24 -12.229  -6.962  -9.948
 1265   1HB   MET  24          2HB       MET  24 -11.808  -8.526 -12.463
 1266   2HB   MET  24          3HB       MET  24 -11.481  -6.798 -12.468
 1267   1HG   MET  24          2HG       MET  24 -10.290  -8.036 -10.165
 1268   2HG   MET  24          3HG       MET  24  -9.784  -8.853 -11.643
 1269   1HE   MET  24          1HE       MET  24  -9.948  -5.539  -9.654
 1270   2HE   MET  24          2HE       MET  24  -8.506  -6.474  -9.244
 1271   3HE   MET  24          3HE       MET  24  -8.348  -4.904 -10.036
 1272    H    LEU  25           H        LEU  25 -13.784  -5.492  -9.725
 1273    HA   LEU  25           HA       LEU  25 -15.649  -5.084 -11.969
 1274   1HB   LEU  25          2HB       LEU  25 -16.016  -5.157  -9.057
 1275   2HB   LEU  25          3HB       LEU  25 -16.786  -3.789  -9.838
 1276    HG   LEU  25           HG       LEU  25 -17.425  -6.688 -10.030
 1277   1HD1  LEU  25          1HD1      LEU  25 -18.644  -4.343  -9.074
 1278   2HD1  LEU  25          2HD1      LEU  25 -19.577  -4.859 -10.478
 1279   3HD1  LEU  25          3HD1      LEU  25 -19.321  -5.971  -9.134
 1280   1HD2  LEU  25          1HD2      LEU  25 -17.362  -4.830 -12.325
 1281   2HD2  LEU  25          2HD2      LEU  25 -17.266  -6.591 -12.284
 1282   3HD2  LEU  25          3HD2      LEU  25 -18.830  -5.790 -12.131
 1283    H    SER  26           H        SER  26 -15.954  -3.062 -12.762
 1284    HA   SER  26           HA       SER  26 -13.902  -1.118 -12.163
 1285   1HB   SER  26          2HB       SER  26 -15.813  -0.128 -14.036
 1286   2HB   SER  26          3HB       SER  26 -14.167  -0.683 -14.347
 1287    HG   SER  26           HG       SER  26 -14.921  -2.729 -14.725
 1288    HA   PRO  27           HA       PRO  27 -15.720   1.422  -9.163
 1289   1HB   PRO  27          2HB       PRO  27 -15.596   3.814 -10.781
 1290   2HB   PRO  27          3HB       PRO  27 -14.594   3.352  -9.406
 1291   1HG   PRO  27          2HG       PRO  27 -14.073   3.058 -12.287
 1292   2HG   PRO  27          3HG       PRO  27 -12.931   3.080 -10.933
 1293   1HD   PRO  27          2HD       PRO  27 -13.448   0.826 -12.284
 1294   2HD   PRO  27          3HD       PRO  27 -13.173   0.809 -10.533
 1295    H    LYS  28           H        LYS  28 -17.116   1.896 -12.458
 1296    HA   LYS  28           HA       LYS  28 -19.443   3.211 -11.417
 1297   1HB   LYS  28          2HB       LYS  28 -19.411   1.834 -14.076
 1298   2HB   LYS  28          3HB       LYS  28 -20.245   3.303 -13.600
 1299   1HG   LYS  28          2HG       LYS  28 -18.358   4.611 -13.845
 1300   2HG   LYS  28          3HG       LYS  28 -17.261   3.234 -13.687
 1301   1HD   LYS  28          2HD       LYS  28 -17.359   2.762 -15.872
 1302   2HD   LYS  28          3HD       LYS  28 -19.105   3.004 -15.936
 1303   1HE   LYS  28          2HE       LYS  28 -18.860   5.034 -16.816
 1304   2HE   LYS  28          3HE       LYS  28 -17.720   5.507 -15.556
 1305   1HZ   LYS  28          HZ1       LYS  28 -16.736   3.715 -17.644
 1306   2HZ   LYS  28          HZ2       LYS  28 -17.019   5.333 -18.080
 1307   3HZ   LYS  28          HZ3       LYS  28 -15.940   4.969 -16.821
 1308    H    ASP  29           H        ASP  29 -18.691  -0.060 -12.526
 1309    HA   ASP  29           HA       ASP  29 -21.312  -1.113 -12.168
 1310   1HB   ASP  29          2HB       ASP  29 -18.939  -2.054 -13.249
 1311   2HB   ASP  29          3HB       ASP  29 -19.146  -3.046 -11.806
 1312    H    ALA  30           H        ALA  30 -18.533  -0.696 -10.133
 1313    HA   ALA  30           HA       ALA  30 -19.507  -2.283  -7.958
 1314   1HB   ALA  30          1HB       ALA  30 -17.347  -0.186  -8.073
 1315   2HB   ALA  30          2HB       ALA  30 -17.702  -1.182  -6.661
 1316   3HB   ALA  30          3HB       ALA  30 -17.142  -1.935  -8.154
 1317    H    TYR  31           H        TYR  31 -19.411   1.218  -8.649
 1318    HA   TYR  31           HA       TYR  31 -20.639   2.006  -6.240
 1319   1HB   TYR  31          HB2       TYR  31 -19.450   3.642  -7.532
 1320   2HB   TYR  31          HB3       TYR  31 -20.482   3.373  -8.930
 1321    HD1  TYR  31           HD1      TYR  31 -20.617   4.517  -5.387
 1322    HD2  TYR  31           HD2      TYR  31 -22.314   4.763  -9.281
 1323    HE1  TYR  31           HE1      TYR  31 -22.106   6.315  -4.616
 1324    HE2  TYR  31           HE2      TYR  31 -23.812   6.560  -8.523
 1325    HH   TYR  31           HH       TYR  31 -24.793   7.197  -6.006
 1326    H    LYS  32           H        LYS  32 -21.939   0.925  -9.302
 1327    HA   LYS  32           HA       LYS  32 -24.563   1.791  -9.101
 1328   1HB   LYS  32          2HB       LYS  32 -23.689   0.722 -11.113
 1329   2HB   LYS  32          3HB       LYS  32 -23.522  -0.803 -10.255
 1330   1HG   LYS  32          2HG       LYS  32 -26.173  -0.192  -9.887
 1331   2HG   LYS  32          3HG       LYS  32 -25.856   0.385 -11.525
 1332   1HD   LYS  32          2HD       LYS  32 -26.200  -1.742 -12.147
 1333   2HD   LYS  32          3HD       LYS  32 -24.585  -2.043 -11.502
 1334   1HE   LYS  32          2HE       LYS  32 -25.809  -3.656 -10.417
 1335   2HE   LYS  32          3HE       LYS  32 -25.861  -2.343  -9.242
 1336   1HZ   LYS  32          HZ1       LYS  32 -28.007  -2.148 -11.099
 1337   2HZ   LYS  32          HZ2       LYS  32 -28.006  -3.666 -10.336
 1338   3HZ   LYS  32          HZ3       LYS  32 -28.055  -2.245  -9.404
 1339    H    LEU  33           H        LEU  33 -23.223  -1.323  -7.984
 1340    HA   LEU  33           HA       LEU  33 -25.655  -2.030  -6.643
 1341   1HB   LEU  33          2HB       LEU  33 -23.962  -3.749  -5.545
 1342   2HB   LEU  33          3HB       LEU  33 -24.604  -3.962  -7.160
 1343    HG   LEU  33           HG       LEU  33 -22.310  -2.501  -7.611
 1344   1HD1  LEU  33          1HD1      LEU  33 -21.929  -3.187  -5.068
 1345   2HD1  LEU  33          2HD1      LEU  33 -21.365  -4.674  -5.832
 1346   3HD1  LEU  33          3HD1      LEU  33 -20.611  -3.133  -6.240
 1347   1HD2  LEU  33          1HD2      LEU  33 -22.817  -5.470  -7.659
 1348   2HD2  LEU  33          2HD2      LEU  33 -23.037  -4.321  -8.979
 1349   3HD2  LEU  33          3HD2      LEU  33 -21.414  -4.694  -8.396
 1350    H    LEU  34           H        LEU  34 -22.754  -0.349  -5.785
 1351    HA   LEU  34           HA       LEU  34 -22.795  -0.652  -2.996
 1352   1HB   LEU  34          2HB       LEU  34 -21.590   1.241  -4.925
 1353   2HB   LEU  34          3HB       LEU  34 -21.734   1.810  -3.275
 1354    HG   LEU  34           HG       LEU  34 -20.411  -0.810  -3.922
 1355   1HD1  LEU  34          1HD1      LEU  34 -19.509   1.641  -4.844
 1356   2HD1  LEU  34          2HD1      LEU  34 -18.605   1.382  -3.353
 1357   3HD1  LEU  34          3HD1      LEU  34 -18.549   0.176  -4.639
 1358   1HD2  LEU  34          1HD2      LEU  34 -21.180   0.331  -1.555
 1359   2HD2  LEU  34          2HD2      LEU  34 -19.918  -0.886  -1.745
 1360   3HD2  LEU  34          3HD2      LEU  34 -19.492   0.824  -1.688
 1361    H    GLN  35           H        GLN  35 -23.966   2.073  -4.957
 1362    HA   GLN  35           HA       GLN  35 -25.131   3.341  -2.691
 1363   1HB   GLN  35          2HB       GLN  35 -25.714   5.099  -4.154
 1364   2HB   GLN  35          3HB       GLN  35 -24.156   4.493  -4.695
 1365   1HG   GLN  35          2HG       GLN  35 -24.952   4.044  -6.711
 1366   2HG   GLN  35          3HG       GLN  35 -26.311   3.137  -6.043
 1367   1HE2  GLN  35          1HE2      GLN  35 -27.984   3.887  -7.167
 1368   2HE2  GLN  35          2HE2      GLN  35 -28.455   5.546  -7.253
 1369    H    GLU  36           H        GLU  36 -26.340   1.040  -4.967
 1370    HA   GLU  36           HA       GLU  36 -29.093   1.780  -4.427
 1371   1HB   GLU  36          2HB       GLU  36 -29.397   1.005  -6.492
 1372   2HB   GLU  36          3HB       GLU  36 -27.721   0.494  -6.559
 1373   1HG   GLU  36          2HG       GLU  36 -28.655  -1.583  -5.242
 1374   2HG   GLU  36          3HG       GLU  36 -30.167  -1.084  -5.998
 1375    H    ASN  37           H        ASN  37 -26.749  -0.578  -3.442
 1376    HA   ASN  37           HA       ASN  37 -28.773  -1.734  -1.636
 1377   1HB   ASN  37          2HB       ASN  37 -26.301  -3.200  -2.566
 1378   2HB   ASN  37          3HB       ASN  37 -27.664  -3.850  -1.668
 1379   1HD2  ASN  37          1HD2      ASN  37 -26.340  -3.224  -4.712
 1380   2HD2  ASN  37          2HD2      ASN  37 -27.682  -3.738  -5.681
 1381    HA   PRO  38           HA       PRO  38 -25.819   0.664   0.861
 1382   1HB   PRO  38          2HB       PRO  38 -27.989   0.335   2.854
 1383   2HB   PRO  38          3HB       PRO  38 -27.165   1.801   2.311
 1384   1HG   PRO  38          2HG       PRO  38 -29.650   1.286   1.527
 1385   2HG   PRO  38          3HG       PRO  38 -28.472   1.984   0.397
 1386   1HD   PRO  38          2HD       PRO  38 -29.420  -0.849   0.637
 1387   2HD   PRO  38          3HD       PRO  38 -29.143   0.124  -0.823
 1388    H    ASP  39           H        ASP  39 -26.642  -2.518   1.051
 1389    HA   ASP  39           HA       ASP  39 -25.323  -2.980   3.617
 1390   1HB   ASP  39          2HB       ASP  39 -27.407  -4.299   2.852
 1391   2HB   ASP  39          3HB       ASP  39 -26.314  -5.134   1.753
 1392    H    ILE  40           H        ILE  40 -24.783  -2.928   0.243
 1393    HA   ILE  40           HA       ILE  40 -22.331  -4.454   0.308
 1394    HB   ILE  40           HB       ILE  40 -23.458  -2.645  -1.841
 1395   1HG1  ILE  40          2HG1      ILE  40 -23.478  -5.655  -1.524
 1396   2HG1  ILE  40          3HG1      ILE  40 -24.873  -4.587  -1.426
 1397   1HG2  ILE  40          1HG2      ILE  40 -20.857  -3.387  -1.600
 1398   2HG2  ILE  40          2HG2      ILE  40 -21.501  -4.710  -2.571
 1399   3HG2  ILE  40          3HG2      ILE  40 -21.660  -3.045  -3.132
 1400   1HD1  ILE  40          1HD1      ILE  40 -23.618  -4.133  -3.919
 1401   2HD1  ILE  40          2HD1      ILE  40 -23.778  -5.876  -3.695
 1402   3HD1  ILE  40          3HD1      ILE  40 -25.201  -4.838  -3.591
 1403    H    THR  41           H        THR  41 -20.712  -3.608   1.434
 1404    HA   THR  41           HA       THR  41 -20.403  -0.710   1.580
 1405    HB   THR  41           HB       THR  41 -18.631  -2.590   3.079
 1406    HG1  THR  41           HG1      THR  41 -21.298  -2.767   3.135
 1407   1HG2  THR  41          1HG2      THR  41 -18.712   0.041   3.112
 1408   2HG2  THR  41          2HG2      THR  41 -20.052  -0.233   4.224
 1409   3HG2  THR  41          3HG2      THR  41 -18.452  -0.872   4.599
 1410    H    LEU  42           H        LEU  42 -18.504   0.396   0.998
 1411    HA   LEU  42           HA       LEU  42 -16.635  -1.161  -0.656
 1412   1HB   LEU  42          2HB       LEU  42 -17.462   0.536  -2.045
 1413   2HB   LEU  42          3HB       LEU  42 -17.511   1.711  -0.745
 1414    HG   LEU  42           HG       LEU  42 -14.948   1.623  -0.802
 1415   1HD1  LEU  42          1HD1      LEU  42 -15.658  -0.086  -3.112
 1416   2HD1  LEU  42          2HD1      LEU  42 -14.346   1.072  -3.340
 1417   3HD1  LEU  42          3HD1      LEU  42 -14.247  -0.132  -2.052
 1418   1HD2  LEU  42          1HD2      LEU  42 -16.357   3.475  -1.669
 1419   2HD2  LEU  42          2HD2      LEU  42 -14.844   3.265  -2.550
 1420   3HD2  LEU  42          3HD2      LEU  42 -16.357   2.683  -3.246
 1421    H    ILE  43           H        ILE  43 -14.676  -1.485   0.106
 1422    HA   ILE  43           HA       ILE  43 -13.769   0.128   2.387
 1423    HB   ILE  43           HB       ILE  43 -13.368  -2.706   1.634
 1424   1HG1  ILE  43          2HG1      ILE  43 -12.980  -2.749   4.192
 1425   2HG1  ILE  43          3HG1      ILE  43 -13.516  -1.072   4.148
 1426   1HG2  ILE  43          1HG2      ILE  43 -11.088  -1.064   2.721
 1427   2HG2  ILE  43          2HG2      ILE  43 -11.182  -2.820   2.860
 1428   3HG2  ILE  43          3HG2      ILE  43 -11.105  -2.065   1.269
 1429   1HD1  ILE  43          1HD1      ILE  43 -15.519  -2.123   2.802
 1430   2HD1  ILE  43          2HD1      ILE  43 -15.037  -3.570   3.695
 1431   3HD1  ILE  43          3HD1      ILE  43 -15.487  -2.100   4.566
 1432    H    ASP  44           H        ASP  44 -12.444   1.710   1.873
 1433    HA   ASP  44           HA       ASP  44 -10.998   1.558  -0.659
 1434   1HB   ASP  44          2HB       ASP  44 -11.953   3.605  -0.809
 1435   2HB   ASP  44          3HB       ASP  44 -12.250   3.691   0.920
 1436    H    VAL  45           H        VAL  45  -8.901   1.095  -0.664
 1437    HA   VAL  45           HA       VAL  45  -7.408   1.531   1.833
 1438    HB   VAL  45           HB       VAL  45  -5.985  -0.127  -0.048
 1439   1HG1  VAL  45          1HG1      VAL  45  -6.089   0.164   2.620
 1440   2HG1  VAL  45          2HG1      VAL  45  -7.061  -1.295   2.435
 1441   3HG1  VAL  45          3HG1      VAL  45  -5.408  -1.251   1.817
 1442   1HG2  VAL  45          1HG2      VAL  45  -8.742  -1.106   0.694
 1443   2HG2  VAL  45          2HG2      VAL  45  -8.136  -0.792  -0.931
 1444   3HG2  VAL  45          3HG2      VAL  45  -7.459  -2.112   0.020
 1445    H    ARG  46           H        ARG  46  -6.719   3.562   1.520
 1446    HA   ARG  46           HA       ARG  46  -4.762   4.007  -0.577
 1447   1HB   ARG  46          2HB       ARG  46  -7.134   4.694  -1.339
 1448   2HB   ARG  46          3HB       ARG  46  -6.966   6.018  -0.195
 1449   1HG   ARG  46          2HG       ARG  46  -6.379   6.812  -2.363
 1450   2HG   ARG  46          3HG       ARG  46  -4.906   6.719  -1.395
 1451   1HD   ARG  46          2HD       ARG  46  -5.785   4.541  -3.279
 1452   2HD   ARG  46          3HD       ARG  46  -4.732   5.868  -3.768
 1453    HE   ARG  46           HE       ARG  46  -4.035   3.589  -2.140
 1454   1HH1  ARG  46          1HH1      ARG  46  -3.151   6.835  -3.133
 1455   2HH1  ARG  46          2HH1      ARG  46  -1.505   6.695  -2.555
 1456   1HH2  ARG  46          1HH2      ARG  46  -1.877   3.419  -1.377
 1457   2HH2  ARG  46          2HH2      ARG  46  -0.807   4.782  -1.522
 1458    H    ASP  47           H        ASP  47  -3.460   5.874  -0.211
 1459    HA   ASP  47           HA       ASP  47  -2.853   6.208   2.540
 1460   1HB   ASP  47          2HB       ASP  47  -1.704   7.057  -0.057
 1461   2HB   ASP  47          3HB       ASP  47  -1.309   8.070   1.330
 1462    HA   PRO  48           HA       PRO  48  -5.515   9.529   3.565
 1463   1HB   PRO  48          2HB       PRO  48  -3.943  10.671   5.537
 1464   2HB   PRO  48          3HB       PRO  48  -5.029   9.299   5.773
 1465   1HG   PRO  48          2HG       PRO  48  -2.074   9.328   5.338
 1466   2HG   PRO  48          3HG       PRO  48  -3.044   8.298   6.407
 1467   1HD   PRO  48          2HD       PRO  48  -2.084   7.394   4.067
 1468   2HD   PRO  48          3HD       PRO  48  -3.670   6.881   4.682
 1469    H    ASP  49           H        ASP  49  -2.125  10.157   2.876
 1470    HA   ASP  49           HA       ASP  49  -2.426  12.981   2.633
 1471   1HB   ASP  49          2HB       ASP  49  -0.261  11.013   2.173
 1472   2HB   ASP  49          3HB       ASP  49  -0.155  12.520   1.263
 1473    H    GLU  50           H        GLU  50  -2.336  10.296   0.330
 1474    HA   GLU  50           HA       GLU  50  -2.651  11.913  -1.994
 1475   1HB   GLU  50          2HB       GLU  50  -2.218   9.206  -1.501
 1476   2HB   GLU  50          3HB       GLU  50  -3.819   9.261  -2.227
 1477   1HG   GLU  50          2HG       GLU  50  -2.493  10.902  -3.894
 1478   2HG   GLU  50          3HG       GLU  50  -1.182   9.834  -3.403
 1479    H    LEU  51           H        LEU  51  -4.814  10.477   0.345
 1480    HA   LEU  51           HA       LEU  51  -7.263  10.864  -1.010
 1481   1HB   LEU  51          2HB       LEU  51  -6.419   9.908   1.493
 1482   2HB   LEU  51          3HB       LEU  51  -7.493  11.247   1.845
 1483    HG   LEU  51           HG       LEU  51  -9.244  10.168   0.459
 1484   1HD1  LEU  51          1HD1      LEU  51  -7.211   8.733  -0.632
 1485   2HD1  LEU  51          2HD1      LEU  51  -7.905   7.562   0.489
 1486   3HD1  LEU  51          3HD1      LEU  51  -8.919   8.306  -0.746
 1487   1HD2  LEU  51          1HD2      LEU  51  -9.173   9.842   2.885
 1488   2HD2  LEU  51          2HD2      LEU  51  -9.787   8.410   2.058
 1489   3HD2  LEU  51          3HD2      LEU  51  -8.132   8.436   2.664
 1490    H    LYS  52           H        LYS  52  -5.223  12.954   0.898
 1491    HA   LYS  52           HA       LYS  52  -7.080  15.103   1.163
 1492   1HB   LYS  52          2HB       LYS  52  -4.069  14.986   1.385
 1493   2HB   LYS  52          3HB       LYS  52  -4.991  16.457   1.653
 1494   1HG   LYS  52          2HG       LYS  52  -6.074  15.528   3.555
 1495   2HG   LYS  52          3HG       LYS  52  -5.435  13.921   3.204
 1496   1HD   LYS  52          2HD       LYS  52  -3.154  15.425   3.341
 1497   2HD   LYS  52          3HD       LYS  52  -4.174  16.195   4.558
 1498   1HE   LYS  52          2HE       LYS  52  -4.324  14.268   5.835
 1499   2HE   LYS  52          3HE       LYS  52  -3.910  13.218   4.482
 1500   1HZ   LYS  52          HZ1       LYS  52  -1.635  14.148   4.572
 1501   2HZ   LYS  52          HZ2       LYS  52  -2.061  15.011   5.966
 1502   3HZ   LYS  52          HZ3       LYS  52  -2.071  13.319   5.984
 1503    H    ALA  53           H        ALA  53  -4.522  14.308  -1.133
 1504    HA   ALA  53           HA       ALA  53  -4.782  16.827  -2.490
 1505   1HB   ALA  53          1HB       ALA  53  -2.770  14.935  -2.186
 1506   2HB   ALA  53          2HB       ALA  53  -3.177  14.896  -3.900
 1507   3HB   ALA  53          3HB       ALA  53  -2.705  16.415  -3.141
 1508    H    MET  54           H        MET  54  -5.572  13.442  -3.287
 1509    HA   MET  54           HA       MET  54  -6.534  14.316  -5.900
 1510   1HB   MET  54          2HB       MET  54  -5.738  11.723  -4.685
 1511   2HB   MET  54          3HB       MET  54  -6.932  11.677  -5.974
 1512   1HG   MET  54          2HG       MET  54  -5.040  13.321  -7.032
 1513   2HG   MET  54          3HG       MET  54  -4.063  12.203  -6.082
 1514   1HE   MET  54          1HE       MET  54  -6.875  12.679  -8.370
 1515   2HE   MET  54          2HE       MET  54  -6.097  12.081  -9.834
 1516   3HE   MET  54          3HE       MET  54  -7.276  11.078  -8.987
 1517    H    GLY  55           H        GLY  55  -7.750  12.967  -2.906
 1518   1HA   GLY  55          1HA       GLY  55 -10.015  13.585  -2.270
 1519   2HA   GLY  55          2HA       GLY  55 -10.468  13.311  -3.942
 1520    H    LYS  56           H        LYS  56 -12.029  12.056  -2.319
 1521    HA   LYS  56           HA       LYS  56 -11.314   9.252  -2.659
 1522   1HB   LYS  56          2HB       LYS  56 -11.791   8.615  -0.401
 1523   2HB   LYS  56          3HB       LYS  56 -10.619   9.922  -0.328
 1524   1HG   LYS  56          2HG       LYS  56 -13.346  10.901  -0.215
 1525   2HG   LYS  56          3HG       LYS  56 -12.991   9.750   1.073
 1526   1HD   LYS  56          2HD       LYS  56 -10.764  11.252   1.169
 1527   2HD   LYS  56          3HD       LYS  56 -11.916  12.459   0.595
 1528   1HE   LYS  56          2HE       LYS  56 -12.863  12.621   2.604
 1529   2HE   LYS  56          3HE       LYS  56 -13.025  10.870   2.739
 1530   1HZ   LYS  56          HZ1       LYS  56 -10.335  11.467   3.073
 1531   2HZ   LYS  56          HZ2       LYS  56 -11.186  12.577   4.024
 1532   3HZ   LYS  56          HZ3       LYS  56 -11.423  10.913   4.247
 1533    HA   PRO  57           HA       PRO  57 -15.504   8.839  -3.887
 1534   1HB   PRO  57          2HB       PRO  57 -16.388   6.635  -2.459
 1535   2HB   PRO  57          3HB       PRO  57 -15.521   6.582  -3.996
 1536   1HG   PRO  57          2HG       PRO  57 -14.501   6.176  -1.227
 1537   2HG   PRO  57          3HG       PRO  57 -13.994   5.398  -2.736
 1538   1HD   PRO  57          2HD       PRO  57 -12.541   7.340  -1.539
 1539   2HD   PRO  57          3HD       PRO  57 -12.584   7.133  -3.302
 1540    H    ASP  58           H        ASP  58 -17.248   9.928  -3.371
 1541    HA   ASP  58           HA       ASP  58 -17.919  10.394  -0.553
 1542   1HB   ASP  58          2HB       ASP  58 -17.833  12.312  -2.215
 1543   2HB   ASP  58          3HB       ASP  58 -19.241  11.597  -2.991
 1544    H    VAL  59           H        VAL  59 -18.884   8.558   0.111
 1545    HA   VAL  59           HA       VAL  59 -21.371   7.785  -1.232
 1546    HB   VAL  59           HB       VAL  59 -20.499   5.351  -0.453
 1547   1HG1  VAL  59          1HG1      VAL  59 -20.605   6.828  -2.959
 1548   2HG1  VAL  59          2HG1      VAL  59 -19.449   5.497  -2.985
 1549   3HG1  VAL  59          3HG1      VAL  59 -21.141   5.189  -2.589
 1550   1HG2  VAL  59          1HG2      VAL  59 -18.294   6.401   0.194
 1551   2HG2  VAL  59          2HG2      VAL  59 -18.206   5.012  -0.890
 1552   3HG2  VAL  59          3HG2      VAL  59 -18.009   6.646  -1.531
 1553    H    LYS  60           H        LYS  60 -22.772   6.493   0.138
 1554    HA   LYS  60           HA       LYS  60 -22.816   7.592   2.784
 1555   1HB   LYS  60          2HB       LYS  60 -24.733   5.462   1.960
 1556   2HB   LYS  60          3HB       LYS  60 -25.023   6.941   2.864
 1557   1HG   LYS  60          2HG       LYS  60 -25.961   7.686   0.986
 1558   2HG   LYS  60          3HG       LYS  60 -24.308   7.907   0.410
 1559   1HD   LYS  60          2HD       LYS  60 -24.726   6.460  -1.230
 1560   2HD   LYS  60          3HD       LYS  60 -24.963   5.197  -0.021
 1561   1HE   LYS  60          2HE       LYS  60 -26.900   5.314  -1.456
 1562   2HE   LYS  60          3HE       LYS  60 -27.332   5.862   0.163
 1563   1HZ   LYS  60          HZ1       LYS  60 -26.471   8.023  -1.497
 1564   2HZ   LYS  60          HZ2       LYS  60 -27.787   7.199  -2.183
 1565   3HZ   LYS  60          HZ3       LYS  60 -27.909   7.842  -0.619
 1566    H    ASN  61           H        ASN  61 -21.979   4.536   1.361
 1567    HA   ASN  61           HA       ASN  61 -21.528   3.421   4.044
 1568   1HB   ASN  61          2HB       ASN  61 -22.151   1.186   3.012
 1569   2HB   ASN  61          3HB       ASN  61 -23.471   2.321   3.252
 1570   1HD2  ASN  61          1HD2      ASN  61 -23.748   0.222   1.575
 1571   2HD2  ASN  61          2HD2      ASN  61 -23.817   0.759  -0.066
 1572    H    TYR  62           H        TYR  62 -19.340   4.354   3.524
 1573    HA   TYR  62           HA       TYR  62 -17.753   2.191   2.357
 1574   1HB   TYR  62          HB2       TYR  62 -17.066   3.414   0.626
 1575   2HB   TYR  62          HB3       TYR  62 -18.057   4.760   1.164
 1576    HD1  TYR  62           HD1      TYR  62 -14.694   3.219   1.588
 1577    HD2  TYR  62           HD2      TYR  62 -17.052   6.751   1.866
 1578    HE1  TYR  62           HE1      TYR  62 -12.664   4.540   1.960
 1579    HE2  TYR  62           HE2      TYR  62 -15.021   8.081   2.238
 1580    HH   TYR  62           HH       TYR  62 -11.822   6.680   1.894
 1581    H    LYS  63           H        LYS  63 -15.830   1.798   3.371
 1582    HA   LYS  63           HA       LYS  63 -15.238   3.455   5.731
 1583   1HB   LYS  63          2HB       LYS  63 -14.880   0.465   5.741
 1584   2HB   LYS  63          3HB       LYS  63 -14.966   1.571   7.106
 1585   1HG   LYS  63          2HG       LYS  63 -17.354   1.995   6.478
 1586   2HG   LYS  63          3HG       LYS  63 -17.217   0.639   5.356
 1587   1HD   LYS  63          2HD       LYS  63 -16.597  -0.820   7.232
 1588   2HD   LYS  63          3HD       LYS  63 -16.770   0.543   8.339
 1589   1HE   LYS  63          2HE       LYS  63 -18.995  -0.483   6.585
 1590   2HE   LYS  63          3HE       LYS  63 -18.734  -1.017   8.244
 1591   1HZ   LYS  63          HZ1       LYS  63 -18.889   1.418   8.856
 1592   2HZ   LYS  63          HZ2       LYS  63 -19.486   1.688   7.293
 1593   3HZ   LYS  63          HZ3       LYS  63 -20.332   0.675   8.361
 1594    H    HIS  64           H        HIS  64 -13.254   4.231   5.722
 1595    HA   HIS  64           HA       HIS  64 -11.340   3.379   3.768
 1596   1HB   HIS  64          2HB       HIS  64 -11.597   5.749   4.441
 1597   2HB   HIS  64          3HB       HIS  64 -11.041   5.339   6.058
 1598    HD1  HIS  64           HD1      HIS  64  -8.867   6.583   6.143
 1599    HD2  HIS  64           HD2      HIS  64  -9.229   4.207   2.746
 1600    HE1  HIS  64           HE1      HIS  64  -6.623   6.683   4.995
 1601    HE2  HIS  64           HE2      HIS  64  -6.916   5.363   2.878
 1602    H    MET  65           H        MET  65  -9.713   1.986   3.994
 1603    HA   MET  65           HA       MET  65  -9.134   0.927   6.665
 1604   1HB   MET  65          2HB       MET  65  -8.742  -0.165   3.889
 1605   2HB   MET  65          3HB       MET  65  -7.833  -0.807   5.250
 1606   1HG   MET  65          2HG       MET  65 -10.794  -0.865   4.795
 1607   2HG   MET  65          3HG       MET  65  -9.684  -2.221   4.986
 1608   1HE   MET  65          1HE       MET  65 -12.533  -1.340   6.377
 1609   2HE   MET  65          2HE       MET  65 -12.390  -0.869   8.072
 1610   3HE   MET  65          3HE       MET  65 -12.041   0.302   6.800
 1611    H    SER  66           H        SER  66  -7.073   1.035   7.480
 1612    HA   SER  66           HA       SER  66  -5.506   3.214   6.517
 1613   1HB   SER  66          2HB       SER  66  -4.564   1.407   8.708
 1614   2HB   SER  66          3HB       SER  66  -4.446   3.162   8.573
 1615    HG   SER  66           HG       SER  66  -6.920   2.933   8.644
 1616    H    ARG  67           H        ARG  67  -5.483   1.295   4.564
 1617    HA   ARG  67           HA       ARG  67  -4.106   0.337   3.049
 1618   1HB   ARG  67          2HB       ARG  67  -1.727   1.432   4.522
 1619   2HB   ARG  67          3HB       ARG  67  -1.940   1.199   2.795
 1620   1HG   ARG  67          2HG       ARG  67  -3.180   3.129   2.552
 1621   2HG   ARG  67          3HG       ARG  67  -3.661   3.156   4.251
 1622   1HD   ARG  67          2HD       ARG  67  -0.848   3.615   3.271
 1623   2HD   ARG  67          3HD       ARG  67  -1.994   4.904   3.630
 1624    HE   ARG  67           HE       ARG  67  -1.700   3.140   5.841
 1625   1HH1  ARG  67          1HH1      ARG  67  -0.117   5.783   4.154
 1626   2HH1  ARG  67          2HH1      ARG  67   0.749   6.329   5.561
 1627   1HH2  ARG  67          1HH2      ARG  67  -0.537   3.844   7.692
 1628   2HH2  ARG  67          2HH2      ARG  67   0.521   5.210   7.570
 1629    H    GLY  68           H        GLY  68  -1.878   0.162   5.765
 1630   1HA   GLY  68          1HA       GLY  68  -1.604  -2.719   5.282
 1631   2HA   GLY  68          2HA       GLY  68  -0.452  -1.712   6.149
 1632    H    LYS  69           H        LYS  69  -2.094  -0.402   7.892
 1633    HA   LYS  69           HA       LYS  69  -2.808  -2.503   9.759
 1634   1HB   LYS  69          2HB       LYS  69  -2.219   0.374   9.918
 1635   2HB   LYS  69          3HB       LYS  69  -3.517  -0.159  10.979
 1636   1HG   LYS  69          2HG       LYS  69  -2.114  -1.617  12.153
 1637   2HG   LYS  69          3HG       LYS  69  -0.880  -1.580  10.894
 1638   1HD   LYS  69          2HD       LYS  69  -1.143   1.073  11.652
 1639   2HD   LYS  69          3HD       LYS  69  -1.264   0.182  13.170
 1640   1HE   LYS  69          2HE       LYS  69   0.903  -0.400  13.130
 1641   2HE   LYS  69          3HE       LYS  69   0.856  -0.787  11.411
 1642   1HZ   LYS  69          HZ1       LYS  69   0.867   1.697  11.040
 1643   2HZ   LYS  69          HZ2       LYS  69   1.287   1.853  12.677
 1644   3HZ   LYS  69          HZ3       LYS  69   2.310   1.017  11.615
 1645    H    LEU  70           H        LEU  70  -4.346  -2.450   7.441
 1646    HA   LEU  70           HA       LEU  70  -6.878  -1.193   7.943
 1647   1HB   LEU  70          2HB       LEU  70  -7.516  -2.020   5.920
 1648   2HB   LEU  70          3HB       LEU  70  -5.782  -2.124   5.704
 1649    HG   LEU  70           HG       LEU  70  -6.485  -4.584   6.820
 1650   1HD1  LEU  70          1HD1      LEU  70  -8.643  -3.508   5.086
 1651   2HD1  LEU  70          2HD1      LEU  70  -8.186  -5.200   4.898
 1652   3HD1  LEU  70          3HD1      LEU  70  -8.737  -4.604   6.464
 1653   1HD2  LEU  70          1HD2      LEU  70  -5.493  -3.504   4.293
 1654   2HD2  LEU  70          2HD2      LEU  70  -4.936  -4.885   5.236
 1655   3HD2  LEU  70          3HD2      LEU  70  -6.306  -5.061   4.140
 1656    H    GLU  71           H        GLU  71  -5.353  -4.258   8.440
 1657    HA   GLU  71           HA       GLU  71  -7.404  -5.915   9.087
 1658   1HB   GLU  71          2HB       GLU  71  -5.205  -6.240  10.990
 1659   2HB   GLU  71          3HB       GLU  71  -5.832  -7.356   9.785
 1660   1HG   GLU  71          2HG       GLU  71  -4.175  -6.906   8.389
 1661   2HG   GLU  71          3HG       GLU  71  -4.438  -5.167   8.531
 1662    HA   PRO  72           HA       PRO  72  -7.663  -4.563  13.694
 1663   1HB   PRO  72          2HB       PRO  72  -6.164  -2.072  13.974
 1664   2HB   PRO  72          3HB       PRO  72  -6.033  -3.562  14.911
 1665   1HG   PRO  72          2HG       PRO  72  -4.097  -2.745  13.216
 1666   2HG   PRO  72          3HG       PRO  72  -4.444  -4.457  13.519
 1667   1HD   PRO  72          2HD       PRO  72  -5.280  -2.737  11.205
 1668   2HD   PRO  72          3HD       PRO  72  -4.668  -4.406  11.206
 1669    H    LEU  73           H        LEU  73  -7.664  -2.310  11.069
 1670    HA   LEU  73           HA       LEU  73  -9.536  -0.475  12.305
 1671   1HB   LEU  73          2HB       LEU  73  -7.782  -0.343  10.144
 1672   2HB   LEU  73          3HB       LEU  73  -9.369  -0.350   9.396
 1673    HG   LEU  73           HG       LEU  73  -8.308   1.919   9.928
 1674   1HD1  LEU  73          1HD1      LEU  73 -10.806   1.267   9.498
 1675   2HD1  LEU  73          2HD1      LEU  73 -10.993   1.700  11.198
 1676   3HD1  LEU  73          3HD1      LEU  73 -10.380   2.888  10.046
 1677   1HD2  LEU  73          1HD2      LEU  73  -7.707   1.104  12.302
 1678   2HD2  LEU  73          2HD2      LEU  73  -8.320   2.745  12.104
 1679   3HD2  LEU  73          3HD2      LEU  73  -9.388   1.470  12.688
 1680    H    LEU  74           H        LEU  74  -9.587  -3.382  10.494
 1681    HA   LEU  74           HA       LEU  74 -12.099  -3.307   9.272
 1682   1HB   LEU  74          2HB       LEU  74 -10.069  -5.130   9.523
 1683   2HB   LEU  74          3HB       LEU  74 -11.328  -5.869  10.493
 1684    HG   LEU  74           HG       LEU  74 -12.845  -5.791   8.570
 1685   1HD1  LEU  74          1HD1      LEU  74 -10.850  -4.035   7.537
 1686   2HD1  LEU  74          2HD1      LEU  74 -11.017  -5.420   6.456
 1687   3HD1  LEU  74          3HD1      LEU  74 -12.428  -4.440   6.857
 1688   1HD2  LEU  74          1HD2      LEU  74 -10.312  -7.286   8.640
 1689   2HD2  LEU  74          2HD2      LEU  74 -11.976  -7.870   8.558
 1690   3HD2  LEU  74          3HD2      LEU  74 -11.164  -7.307   7.095
 1691    H    ALA  75           H        ALA  75 -11.155  -4.533  12.449
 1692    HA   ALA  75           HA       ALA  75 -13.763  -5.116  13.372
 1693   1HB   ALA  75          1HB       ALA  75 -11.092  -4.793  14.666
 1694   2HB   ALA  75          2HB       ALA  75 -12.541  -4.920  15.662
 1695   3HB   ALA  75          3HB       ALA  75 -12.119  -6.221  14.548
 1696    H    LYS  76           H        LYS  76 -11.765  -2.227  13.482
 1697    HA   LYS  76           HA       LYS  76 -13.338  -0.823  15.389
 1698   1HB   LYS  76          2HB       LYS  76 -11.441   0.262  13.300
 1699   2HB   LYS  76          3HB       LYS  76 -12.085   1.168  14.660
 1700   1HG   LYS  76          2HG       LYS  76 -10.937  -1.096  15.795
 1701   2HG   LYS  76          3HG       LYS  76  -9.813  -0.593  14.530
 1702   1HD   LYS  76          2HD       LYS  76  -9.059   1.002  15.884
 1703   2HD   LYS  76          3HD       LYS  76 -10.658   1.748  15.855
 1704   1HE   LYS  76          2HE       LYS  76 -11.071   1.130  17.954
 1705   2HE   LYS  76          3HE       LYS  76 -10.592  -0.535  17.624
 1706   1HZ   LYS  76          HZ1       LYS  76  -8.332   1.195  17.743
 1707   2HZ   LYS  76          HZ2       LYS  76  -9.241   1.286  19.170
 1708   3HZ   LYS  76          HZ3       LYS  76  -8.658  -0.214  18.629
 1709    H    SER  77           H        SER  77 -13.571  -1.313  11.979
 1710    HA   SER  77           HA       SER  77 -15.314   0.914  11.508
 1711   1HB   SER  77          2HB       SER  77 -14.719  -1.508   9.788
 1712   2HB   SER  77          3HB       SER  77 -15.568  -0.053   9.261
 1713    HG   SER  77           HG       SER  77 -12.860  -0.287  10.090
 1714    H    GLY  78           H        GLY  78 -15.661  -2.579  11.978
 1715   1HA   GLY  78          1HA       GLY  78 -17.507  -3.608  13.003
 1716   2HA   GLY  78          2HA       GLY  78 -18.447  -2.145  12.734
 1717    H    LEU  79           H        LEU  79 -16.683  -4.515  10.766
 1718    HA   LEU  79           HA       LEU  79 -18.794  -4.378   8.744
 1719   1HB   LEU  79          2HB       LEU  79 -16.001  -5.473   8.792
 1720   2HB   LEU  79          3HB       LEU  79 -17.129  -5.980   7.549
 1721    HG   LEU  79           HG       LEU  79 -16.729  -3.060   7.981
 1722   1HD1  LEU  79          1HD1      LEU  79 -14.547  -4.752   7.585
 1723   2HD1  LEU  79          2HD1      LEU  79 -14.913  -4.081   5.996
 1724   3HD1  LEU  79          3HD1      LEU  79 -14.603  -3.005   7.359
 1725   1HD2  LEU  79          1HD2      LEU  79 -18.345  -4.311   6.347
 1726   2HD2  LEU  79          2HD2      LEU  79 -17.471  -2.875   5.815
 1727   3HD2  LEU  79          3HD2      LEU  79 -16.892  -4.477   5.362
 1728    H    ASP  80           H        ASP  80 -19.874  -6.294   7.976
 1729    HA   ASP  80           HA       ASP  80 -19.735  -8.541   9.854
 1730   1HB   ASP  80          2HB       ASP  80 -21.891  -8.180  10.351
 1731   2HB   ASP  80          3HB       ASP  80 -21.936  -6.818   9.242
 1732    HA   PRO  81           HA       PRO  81 -18.340 -10.802   6.410
 1733   1HB   PRO  81          2HB       PRO  81 -19.601 -13.106   7.820
 1734   2HB   PRO  81          3HB       PRO  81 -17.943 -12.912   7.230
 1735   1HG   PRO  81          2HG       PRO  81 -18.478 -12.694   9.813
 1736   2HG   PRO  81          3HG       PRO  81 -17.320 -11.594   9.038
 1737   1HD   PRO  81          2HD       PRO  81 -20.142 -11.094   9.878
 1738   2HD   PRO  81          3HD       PRO  81 -18.733 -10.013   9.945
 1739    H    GLU  82           H        GLU  82 -21.705 -10.566   7.025
 1740    HA   GLU  82           HA       GLU  82 -22.394 -12.267   4.751
 1741   1HB   GLU  82          2HB       GLU  82 -23.838 -11.145   7.025
 1742   2HB   GLU  82          3HB       GLU  82 -24.695 -10.988   5.500
 1743   1HG   GLU  82          2HG       GLU  82 -23.550 -13.594   6.442
 1744   2HG   GLU  82          3HG       GLU  82 -25.180 -13.059   6.851
 1745    H    LYS  83           H        LYS  83 -21.372  -9.164   5.306
 1746    HA   LYS  83           HA       LYS  83 -23.009  -7.817   3.361
 1747   1HB   LYS  83          2HB       LYS  83 -20.834  -7.091   5.226
 1748   2HB   LYS  83          3HB       LYS  83 -20.946  -6.120   3.765
 1749   1HG   LYS  83          2HG       LYS  83 -23.108  -5.383   4.291
 1750   2HG   LYS  83          3HG       LYS  83 -23.317  -6.624   5.527
 1751   1HD   LYS  83          2HD       LYS  83 -21.288  -5.470   6.666
 1752   2HD   LYS  83          3HD       LYS  83 -21.705  -4.105   5.628
 1753   1HE   LYS  83          2HE       LYS  83 -22.754  -4.502   8.082
 1754   2HE   LYS  83          3HE       LYS  83 -23.574  -3.624   6.791
 1755   1HZ   LYS  83          HZ1       LYS  83 -23.901  -6.546   7.163
 1756   2HZ   LYS  83          HZ2       LYS  83 -24.891  -5.420   7.955
 1757   3HZ   LYS  83          HZ3       LYS  83 -24.877  -5.486   6.262
 1758    HA   PRO  84           HA       PRO  84 -20.283  -8.791  -0.094
 1759   1HB   PRO  84          2HB       PRO  84 -21.939  -7.049  -1.685
 1760   2HB   PRO  84          3HB       PRO  84 -21.837  -8.809  -1.747
 1761   1HG   PRO  84          2HG       PRO  84 -24.053  -7.431  -0.895
 1762   2HG   PRO  84          3HG       PRO  84 -23.658  -9.085  -0.396
 1763   1HD   PRO  84          2HD       PRO  84 -23.218  -6.507   1.064
 1764   2HD   PRO  84          3HD       PRO  84 -23.759  -8.083   1.687
 1765    H    VAL  85           H        VAL  85 -18.416  -7.677  -0.246
 1766    HA   VAL  85           HA       VAL  85 -18.573  -4.739  -0.143
 1767    HB   VAL  85           HB       VAL  85 -16.356  -4.816   1.046
 1768   1HG1  VAL  85          1HG1      VAL  85 -18.810  -4.702   2.050
 1769   2HG1  VAL  85          2HG1      VAL  85 -18.291  -6.212   2.802
 1770   3HG1  VAL  85          3HG1      VAL  85 -17.374  -4.731   3.075
 1771   1HG2  VAL  85          1HG2      VAL  85 -15.997  -7.266   0.381
 1772   2HG2  VAL  85          2HG2      VAL  85 -15.536  -6.777   2.011
 1773   3HG2  VAL  85          3HG2      VAL  85 -17.047  -7.649   1.745
 1774    H    VAL  86           H        VAL  86 -16.913  -3.569  -1.170
 1775    HA   VAL  86           HA       VAL  86 -15.321  -5.094  -3.117
 1776    HB   VAL  86           HB       VAL  86 -16.957  -4.089  -4.487
 1777   1HG1  VAL  86          1HG1      VAL  86 -16.654  -1.612  -2.802
 1778   2HG1  VAL  86          2HG1      VAL  86 -17.581  -1.681  -4.301
 1779   3HG1  VAL  86          3HG1      VAL  86 -18.059  -2.670  -2.921
 1780   1HG2  VAL  86          1HG2      VAL  86 -14.476  -3.552  -5.016
 1781   2HG2  VAL  86          2HG2      VAL  86 -15.749  -2.721  -5.911
 1782   3HG2  VAL  86          3HG2      VAL  86 -14.918  -1.902  -4.589
 1783    H    VAL  87           H        VAL  87 -13.211  -4.363  -3.394
 1784    HA   VAL  87           HA       VAL  87 -12.337  -2.393  -1.393
 1785    HB   VAL  87           HB       VAL  87 -10.031  -3.432  -1.830
 1786   1HG1  VAL  87          1HG1      VAL  87 -12.310  -4.597  -0.338
 1787   2HG1  VAL  87          2HG1      VAL  87 -10.846  -5.574  -0.471
 1788   3HG1  VAL  87          3HG1      VAL  87 -10.770  -3.966   0.249
 1789   1HG2  VAL  87          1HG2      VAL  87 -11.799  -5.475  -3.156
 1790   2HG2  VAL  87          2HG2      VAL  87 -10.377  -4.669  -3.816
 1791   3HG2  VAL  87          3HG2      VAL  87 -10.198  -5.861  -2.528
 1792    H    PHE  88           H        PHE  88 -11.669  -0.486  -2.073
 1793    HA   PHE  88           HA       PHE  88 -11.250  -0.060  -4.926
 1794   1HB   PHE  88          2HB       PHE  88 -12.647   1.406  -3.185
 1795   2HB   PHE  88          3HB       PHE  88 -11.081   2.170  -2.945
 1796    HD1  PHE  88           HD1      PHE  88 -12.196   0.805  -6.186
 1797    HD2  PHE  88           HD2      PHE  88 -11.723   4.312  -3.813
 1798    HE1  PHE  88           HE1      PHE  88 -12.514   2.195  -8.175
 1799    HE2  PHE  88           HE2      PHE  88 -12.036   5.697  -5.799
 1800    HZ   PHE  88           HZ       PHE  88 -12.433   4.642  -7.989
 1801    H    CYS  89           H        CYS  89  -9.303   0.029  -5.806
 1802    HA   CYS  89           HA       CYS  89  -7.039  -0.057  -3.976
 1803   1HB   CYS  89          2HB       CYS  89  -5.957  -1.401  -5.573
 1804   2HB   CYS  89          3HB       CYS  89  -7.637  -1.921  -5.610
 1805    H    LYS  90           H        LYS  90  -5.009   0.257  -5.703
 1806    HA   LYS  90           HA       LYS  90  -4.506   2.141  -7.448
 1807   1HB   LYS  90          2HB       LYS  90  -5.660   3.579  -5.324
 1808   2HB   LYS  90          3HB       LYS  90  -3.934   3.888  -5.203
 1809   1HG   LYS  90          2HG       LYS  90  -4.518   4.146  -7.911
 1810   2HG   LYS  90          3HG       LYS  90  -5.862   4.923  -7.075
 1811   1HD   LYS  90          2HD       LYS  90  -4.118   6.158  -5.709
 1812   2HD   LYS  90          3HD       LYS  90  -2.925   5.549  -6.858
 1813   1HE   LYS  90          2HE       LYS  90  -3.512   7.042  -8.414
 1814   2HE   LYS  90          3HE       LYS  90  -5.232   6.743  -8.166
 1815   1HZ   LYS  90          HZ1       LYS  90  -3.562   8.438  -6.384
 1816   2HZ   LYS  90          HZ2       LYS  90  -4.522   9.043  -7.646
 1817   3HZ   LYS  90          HZ3       LYS  90  -5.246   8.254  -6.335
 1818    H    THR  91           H        THR  91  -3.827   0.712  -4.456
 1819    HA   THR  91           HA       THR  91  -0.925   0.885  -4.896
 1820    HB   THR  91           HB       THR  91  -1.993  -0.334  -2.407
 1821    HG1  THR  91           HG1      THR  91  -2.567   2.241  -3.248
 1822   1HG2  THR  91          1HG2      THR  91   0.472   0.699  -3.366
 1823   2HG2  THR  91          2HG2      THR  91  -0.040   1.716  -2.020
 1824   3HG2  THR  91          3HG2      THR  91   0.133  -0.025  -1.793
 1825    H    ALA  92           H        ALA  92  -2.930  -0.730  -6.309
 1826    HA   ALA  92           HA       ALA  92  -3.288  -2.801  -7.132
 1827   1HB   ALA  92          1HB       ALA  92  -0.442  -2.353  -6.897
 1828   2HB   ALA  92          2HB       ALA  92  -0.844  -4.070  -6.915
 1829   3HB   ALA  92          3HB       ALA  92  -1.377  -3.026  -8.232
 1830    H    ALA  93           H        ALA  93  -0.834  -4.373  -5.413
 1831    HA   ALA  93           HA       ALA  93  -2.331  -6.528  -4.748
 1832   1HB   ALA  93          1HB       ALA  93   0.332  -5.575  -4.116
 1833   2HB   ALA  93          2HB       ALA  93  -0.331  -6.631  -2.868
 1834   3HB   ALA  93          3HB       ALA  93  -0.227  -7.194  -4.536
 1835    H    ARG  94           H        ARG  94  -2.014  -3.638  -2.759
 1836    HA   ARG  94           HA       ARG  94  -2.717  -4.933  -0.357
 1837   1HB   ARG  94          2HB       ARG  94  -1.703  -2.523  -0.827
 1838   2HB   ARG  94          3HB       ARG  94  -3.387  -2.056  -0.624
 1839   1HG   ARG  94          2HG       ARG  94  -1.496  -2.485   1.385
 1840   2HG   ARG  94          3HG       ARG  94  -3.228  -2.221   1.587
 1841   1HD   ARG  94          2HD       ARG  94  -3.520  -4.715   1.278
 1842   2HD   ARG  94          3HD       ARG  94  -1.767  -4.853   1.388
 1843    HE   ARG  94           HE       ARG  94  -2.921  -3.432   3.601
 1844   1HH1  ARG  94          1HH1      ARG  94  -2.241  -6.627   2.337
 1845   2HH1  ARG  94          2HH1      ARG  94  -2.167  -7.374   3.897
 1846   1HH2  ARG  94          1HH2      ARG  94  -2.803  -4.427   5.678
 1847   2HH2  ARG  94          2HH2      ARG  94  -2.485  -6.124   5.796
 1848    H    ALA  95           H        ALA  95  -4.739  -3.559  -2.889
 1849    HA   ALA  95           HA       ALA  95  -7.158  -3.642  -1.347
 1850   1HB   ALA  95          1HB       ALA  95  -6.523  -2.638  -3.819
 1851   2HB   ALA  95          2HB       ALA  95  -7.480  -4.064  -4.220
 1852   3HB   ALA  95          3HB       ALA  95  -8.158  -2.812  -3.178
 1853    H    ALA  96           H        ALA  96  -5.606  -5.767  -3.687
 1854    HA   ALA  96           HA       ALA  96  -7.421  -7.897  -3.605
 1855   1HB   ALA  96          1HB       ALA  96  -5.316  -7.392  -5.113
 1856   2HB   ALA  96          2HB       ALA  96  -4.522  -8.448  -3.945
 1857   3HB   ALA  96          3HB       ALA  96  -5.902  -9.037  -4.872
 1858    H    LEU  97           H        LEU  97  -4.750  -7.030  -1.495
 1859    HA   LEU  97           HA       LEU  97  -4.766  -9.502  -0.052
 1860   1HB   LEU  97          2HB       LEU  97  -3.283  -7.004   0.046
 1861   2HB   LEU  97          3HB       LEU  97  -3.679  -7.595   1.651
 1862    HG   LEU  97           HG       LEU  97  -1.458  -8.338   0.867
 1863   1HD1  LEU  97          1HD1      LEU  97  -2.780  -9.644   2.500
 1864   2HD1  LEU  97          2HD1      LEU  97  -3.403 -10.618   1.166
 1865   3HD1  LEU  97          3HD1      LEU  97  -1.679 -10.632   1.539
 1866   1HD2  LEU  97          1HD2      LEU  97  -2.900  -8.943  -1.510
 1867   2HD2  LEU  97          2HD2      LEU  97  -1.163  -9.054  -1.209
 1868   3HD2  LEU  97          3HD2      LEU  97  -2.207 -10.439  -0.877
 1869    H    ALA  98           H        ALA  98  -6.356  -6.384   0.308
 1870    HA   ALA  98           HA       ALA  98  -7.389  -6.918   2.915
 1871   1HB   ALA  98          1HB       ALA  98  -7.133  -4.638   1.966
 1872   2HB   ALA  98          2HB       ALA  98  -8.454  -4.995   0.851
 1873   3HB   ALA  98          3HB       ALA  98  -8.752  -4.962   2.589
 1874    H    GLY  99           H        GLY  99  -8.663  -7.192  -0.370
 1875   1HA   GLY  99          1HA       GLY  99 -11.244  -8.076   0.488
 1876   2HA   GLY  99          2HA       GLY  99 -10.636  -8.085  -1.158
 1877    H    LYS 100           H        LYS 100  -8.546  -9.796  -1.102
 1878    HA   LYS 100           HA       LYS 100  -9.884 -12.236  -1.209
 1879   1HB   LYS 100          2HB       LYS 100  -8.046 -12.997  -2.265
 1880   2HB   LYS 100          3HB       LYS 100  -7.563 -11.307  -2.231
 1881   1HG   LYS 100          2HG       LYS 100  -6.001 -11.646  -0.574
 1882   2HG   LYS 100          3HG       LYS 100  -6.797 -13.101   0.031
 1883   1HD   LYS 100          2HD       LYS 100  -5.695 -13.106  -2.740
 1884   2HD   LYS 100          3HD       LYS 100  -4.581 -13.258  -1.378
 1885   1HE   LYS 100          2HE       LYS 100  -7.025 -14.981  -1.585
 1886   2HE   LYS 100          3HE       LYS 100  -5.543 -15.403  -2.441
 1887   1HZ   LYS 100          HZ1       LYS 100  -5.235 -14.736   0.370
 1888   2HZ   LYS 100          HZ2       LYS 100  -6.083 -16.170   0.051
 1889   3HZ   LYS 100          HZ3       LYS 100  -4.506 -15.968  -0.539
 1890    H    THR 101           H        THR 101  -8.016 -10.822   1.386
 1891    HA   THR 101           HA       THR 101  -7.942 -13.222   2.958
 1892    HB   THR 101           HB       THR 101  -7.628 -10.397   3.983
 1893    HG1  THR 101           HG1      THR 101  -5.989 -10.429   2.601
 1894   1HG2  THR 101          1HG2      THR 101  -7.430 -13.025   5.150
 1895   2HG2  THR 101          2HG2      THR 101  -5.878 -12.194   5.233
 1896   3HG2  THR 101          3HG2      THR 101  -7.319 -11.446   5.927
 1897    H    LEU 102           H        LEU 102 -10.097 -10.462   2.638
 1898    HA   LEU 102           HA       LEU 102 -11.710 -10.964   4.895
 1899   1HB   LEU 102          2HB       LEU 102 -11.899  -9.352   2.441
 1900   2HB   LEU 102          3HB       LEU 102 -13.441  -9.837   3.122
 1901    HG   LEU 102           HG       LEU 102 -11.295  -8.172   4.428
 1902   1HD1  LEU 102          1HD1      LEU 102 -13.718  -7.616   3.000
 1903   2HD1  LEU 102          2HD1      LEU 102 -13.855  -7.047   4.662
 1904   3HD1  LEU 102          3HD1      LEU 102 -12.524  -6.493   3.649
 1905   1HD2  LEU 102          1HD2      LEU 102 -13.752  -9.416   5.650
 1906   2HD2  LEU 102          2HD2      LEU 102 -12.072  -9.694   6.111
 1907   3HD2  LEU 102          3HD2      LEU 102 -12.816  -8.120   6.395
 1908    H    ARG 103           H        ARG 103 -12.109 -11.941   1.481
 1909    HA   ARG 103           HA       ARG 103 -14.462 -13.464   1.928
 1910   1HB   ARG 103          2HB       ARG 103 -13.937 -14.536  -0.266
 1911   2HB   ARG 103          3HB       ARG 103 -13.957 -12.781  -0.318
 1912   1HG   ARG 103          2HG       ARG 103 -12.039 -13.054  -1.453
 1913   2HG   ARG 103          3HG       ARG 103 -11.346 -13.220   0.153
 1914   1HD   ARG 103          2HD       ARG 103 -10.578 -15.171  -0.496
 1915   2HD   ARG 103          3HD       ARG 103 -12.236 -15.747  -0.448
 1916    HE   ARG 103           HE       ARG 103 -10.701 -14.966  -2.827
 1917   1HH1  ARG 103          1HH1      ARG 103 -13.679 -16.221  -1.445
 1918   2HH1  ARG 103          2HH1      ARG 103 -14.276 -16.807  -2.958
 1919   1HH2  ARG 103          1HH2      ARG 103 -11.495 -15.735  -4.807
 1920   2HH2  ARG 103          2HH2      ARG 103 -13.043 -16.536  -4.871
 1921    H    GLU 104           H        GLU 104 -11.104 -14.093   2.378
 1922    HA   GLU 104           HA       GLU 104 -11.191 -16.928   2.475
 1923   1HB   GLU 104          2HB       GLU 104  -9.214 -15.099   2.323
 1924   2HB   GLU 104          3HB       GLU 104  -9.138 -15.484   4.035
 1925   1HG   GLU 104          2HG       GLU 104  -8.498 -17.645   3.663
 1926   2HG   GLU 104          3HG       GLU 104  -9.206 -17.696   2.050
 1927    H    TYR 105           H        TYR 105 -12.451 -14.637   4.581
 1928    HA   TYR 105           HA       TYR 105 -12.174 -16.482   6.861
 1929   1HB   TYR 105          HB2       TYR 105 -12.626 -13.494   6.844
 1930   2HB   TYR 105          HB3       TYR 105 -12.707 -14.493   8.295
 1931    HD1  TYR 105           HD1      TYR 105 -10.398 -16.363   7.320
 1932    HD2  TYR 105           HD2      TYR 105 -10.785 -12.140   7.692
 1933    HE1  TYR 105           HE1      TYR 105  -7.960 -16.171   7.559
 1934    HE2  TYR 105           HE2      TYR 105  -8.343 -11.942   7.928
 1935    HH   TYR 105           HH       TYR 105  -6.413 -13.596   8.734
 1936    H    GLY 106           H        GLY 106 -14.299 -15.416   4.543
 1937   1HA   GLY 106          1HA       GLY 106 -16.344 -16.745   4.498
 1938   2HA   GLY 106          2HA       GLY 106 -16.548 -16.366   6.200
 1939    H    PHE 107           H        PHE 107 -15.853 -14.347   3.355
 1940    HA   PHE 107           HA       PHE 107 -18.120 -12.658   4.132
 1941   1HB   PHE 107          2HB       PHE 107 -15.526 -12.127   2.860
 1942   2HB   PHE 107          3HB       PHE 107 -16.882 -11.330   2.067
 1943    HD1  PHE 107           HD1      PHE 107 -15.553 -11.921   5.504
 1944    HD2  PHE 107           HD2      PHE 107 -17.497  -9.252   2.820
 1945    HE1  PHE 107           HE1      PHE 107 -15.539 -10.173   7.239
 1946    HE2  PHE 107           HE2      PHE 107 -17.490  -7.502   4.552
 1947    HZ   PHE 107           HZ       PHE 107 -16.510  -7.963   6.764
 1948    H    LYS 108           H        LYS 108 -19.685 -12.079   2.619
 1949    HA   LYS 108           HA       LYS 108 -20.602 -14.183   1.036
 1950   1HB   LYS 108          2HB       LYS 108 -21.767 -12.036   2.110
 1951   2HB   LYS 108          3HB       LYS 108 -21.576 -11.425   0.473
 1952   1HG   LYS 108          2HG       LYS 108 -22.739 -13.525  -0.309
 1953   2HG   LYS 108          3HG       LYS 108 -23.131 -13.824   1.384
 1954   1HD   LYS 108          2HD       LYS 108 -23.949 -11.283   1.198
 1955   2HD   LYS 108          3HD       LYS 108 -24.184 -11.777  -0.479
 1956   1HE   LYS 108          2HE       LYS 108 -25.978 -13.004   0.034
 1957   2HE   LYS 108          3HE       LYS 108 -25.163 -13.757   1.404
 1958   1HZ   LYS 108          HZ1       LYS 108 -25.932 -10.994   1.809
 1959   2HZ   LYS 108          HZ2       LYS 108 -27.227 -12.068   1.618
 1960   3HZ   LYS 108          HZ3       LYS 108 -26.084 -12.331   2.846
 1961    H    THR 109           H        THR 109 -20.510 -11.066  -0.529
 1962    HA   THR 109           HA       THR 109 -19.004 -12.279  -2.748
 1963    HB   THR 109           HB       THR 109 -20.840  -9.955  -3.168
 1964    HG1  THR 109           HG1      THR 109 -21.604 -12.679  -2.829
 1965   1HG2  THR 109          1HG2      THR 109 -19.581 -12.112  -4.772
 1966   2HG2  THR 109          2HG2      THR 109 -21.183 -11.568  -5.274
 1967   3HG2  THR 109          3HG2      THR 109 -19.851 -10.415  -5.173
 1968    H    ILE 110           H        ILE 110 -17.090 -11.402  -3.126
 1969    HA   ILE 110           HA       ILE 110 -16.614  -8.665  -2.149
 1970    HB   ILE 110           HB       ILE 110 -15.521 -10.595  -0.902
 1971   1HG1  ILE 110          2HG1      ILE 110 -13.272  -8.919  -1.725
 1972   2HG1  ILE 110          3HG1      ILE 110 -14.733  -8.010  -1.348
 1973   1HG2  ILE 110          1HG2      ILE 110 -13.999 -10.747  -3.475
 1974   2HG2  ILE 110          2HG2      ILE 110 -13.260 -11.224  -1.948
 1975   3HG2  ILE 110          3HG2      ILE 110 -14.709 -12.050  -2.519
 1976   1HD1  ILE 110          1HD1      ILE 110 -14.138 -10.087   0.604
 1977   2HD1  ILE 110          2HD1      ILE 110 -12.872  -8.868   0.458
 1978   3HD1  ILE 110          3HD1      ILE 110 -14.523  -8.381   0.835
 1979    H    TYR 111           H        TYR 111 -15.884  -7.194  -3.527
 1980    HA   TYR 111           HA       TYR 111 -15.025  -8.105  -6.198
 1981   1HB   TYR 111          HB2       TYR 111 -16.145  -5.364  -5.678
 1982   2HB   TYR 111          HB3       TYR 111 -16.113  -6.280  -7.178
 1983    HD1  TYR 111           HD1      TYR 111 -17.786  -6.014  -3.876
 1984    HD2  TYR 111           HD2      TYR 111 -17.940  -7.631  -7.812
 1985    HE1  TYR 111           HE1      TYR 111 -20.117  -6.694  -3.501
 1986    HE2  TYR 111           HE2      TYR 111 -20.271  -8.325  -7.437
 1987    HH   TYR 111           HH       TYR 111 -22.016  -8.270  -6.064
 1988    H    ASN 112           H        ASN 112 -13.320  -6.985  -7.211
 1989    HA   ASN 112           HA       ASN 112 -11.759  -5.220  -5.436
 1990   1HB   ASN 112          2HB       ASN 112 -10.794  -7.554  -6.187
 1991   2HB   ASN 112          3HB       ASN 112 -10.509  -6.726  -7.714
 1992   1HD2  ASN 112          1HD2      ASN 112  -8.743  -7.803  -5.509
 1993   2HD2  ASN 112          2HD2      ASN 112  -7.663  -6.491  -5.168
 1994    H    SER 113           H        SER 113 -11.005  -3.326  -6.327
 1995    HA   SER 113           HA       SER 113 -12.619  -2.379  -8.468
 1996   1HB   SER 113          2HB       SER 113 -11.926  -0.240  -7.828
 1997   2HB   SER 113          3HB       SER 113 -11.844  -1.159  -6.324
 1998    HG   SER 113           HG       SER 113  -9.524  -1.307  -7.740
 1999    H    GLU 114           H        GLU 114 -12.147  -1.965 -10.489
 2000    HA   GLU 114           HA       GLU 114  -9.566  -2.799 -11.540
 2001   1HB   GLU 114          2HB       GLU 114 -12.263  -2.306 -12.662
 2002   2HB   GLU 114          3HB       GLU 114 -10.905  -1.942 -13.720
 2003   1HG   GLU 114          2HG       GLU 114 -10.988  -4.553 -12.294
 2004   2HG   GLU 114          3HG       GLU 114 -11.989  -4.308 -13.725
 2005    H    GLY 115           H        GLY 115  -7.961  -1.437 -11.907
 2006   1HA   GLY 115          1HA       GLY 115  -7.020   0.522 -12.849
 2007   2HA   GLY 115          2HA       GLY 115  -8.560   1.338 -12.619
 2008    H    GLY 116           H        GLY 116  -9.166   1.903 -10.399
 2009   1HA   GLY 116          1HA       GLY 116  -7.896   1.730  -8.088
 2010   2HA   GLY 116          2HA       GLY 116  -6.800   2.795  -8.951
 2011    H    MET 117           H        MET 117  -7.525   3.987  -6.895
 2012    HA   MET 117           HA       MET 117 -10.073   5.090  -6.640
 2013   1HB   MET 117          2HB       MET 117  -8.896   5.311  -4.697
 2014   2HB   MET 117          3HB       MET 117  -7.381   5.629  -5.523
 2015   1HG   MET 117          2HG       MET 117  -9.327   7.775  -5.824
 2016   2HG   MET 117          3HG       MET 117  -8.879   7.458  -4.148
 2017   1HE   MET 117          1HE       MET 117  -7.544   8.591  -3.125
 2018   2HE   MET 117          2HE       MET 117  -5.826   8.824  -3.450
 2019   3HE   MET 117          3HE       MET 117  -6.985  10.073  -3.900
 2020    H    ASP 118           H        ASP 118  -7.414   6.050  -8.650
 2021    HA   ASP 118           HA       ASP 118  -8.252   8.705  -9.191
 2022   1HB   ASP 118          2HB       ASP 118  -6.742   8.508 -11.172
 2023   2HB   ASP 118          3HB       ASP 118  -5.968   8.066  -9.651
 2024    H    LYS 119           H        LYS 119  -9.259   5.582 -10.313
 2025    HA   LYS 119           HA       LYS 119 -10.475   6.460 -12.738
 2026   1HB   LYS 119          2HB       LYS 119 -10.258   3.971 -11.207
 2027   2HB   LYS 119          3HB       LYS 119 -11.808   4.166 -12.014
 2028   1HG   LYS 119          2HG       LYS 119 -10.547   3.049 -13.591
 2029   2HG   LYS 119          3HG       LYS 119 -10.394   4.734 -14.097
 2030   1HD   LYS 119          2HD       LYS 119  -8.298   4.611 -12.463
 2031   2HD   LYS 119          3HD       LYS 119  -8.378   2.908 -12.920
 2032   1HE   LYS 119          2HE       LYS 119  -7.200   3.497 -14.721
 2033   2HE   LYS 119          3HE       LYS 119  -8.700   4.206 -15.318
 2034   1HZ   LYS 119          HZ1       LYS 119  -7.061   5.838 -13.531
 2035   2HZ   LYS 119          HZ2       LYS 119  -6.482   5.589 -15.105
 2036   3HZ   LYS 119          HZ3       LYS 119  -8.007   6.296 -14.871
 2037    H    TRP 120           H        TRP 120 -11.471   6.195  -9.395
 2038    HA   TRP 120           HA       TRP 120 -14.252   6.447  -9.687
 2039   1HB   TRP 120          HB2       TRP 120 -12.804   6.069  -7.564
 2040   2HB   TRP 120          HB3       TRP 120 -12.731   7.824  -7.487
 2041    HD1  TRP 120           HD1      TRP 120 -14.820   9.083  -6.640
 2042    HE1  TRP 120           HE1      TRP 120 -17.070   8.372  -5.619
 2043    HE3  TRP 120           HE3      TRP 120 -14.590   4.072  -7.617
 2044    HZ2  TRP 120           HZ2      TRP 120 -18.535   5.994  -5.250
 2045    HZ3  TRP 120           HZ3      TRP 120 -16.454   2.646  -6.881
 2046    HH2  TRP 120           HH2      TRP 120 -18.383   3.588  -5.719
 2047    H    LEU 121           H        LEU 121 -11.723   8.933  -9.378
 2048    HA   LEU 121           HA       LEU 121 -13.423  11.162  -9.738
 2049   1HB   LEU 121          2HB       LEU 121 -10.591  10.619  -9.469
 2050   2HB   LEU 121          3HB       LEU 121 -10.879  11.826 -10.706
 2051    HG   LEU 121           HG       LEU 121 -11.280  11.997  -7.759
 2052   1HD1  LEU 121          1HD1      LEU 121  -9.360  12.993  -9.028
 2053   2HD1  LEU 121          2HD1      LEU 121 -10.519  14.080  -9.794
 2054   3HD1  LEU 121          3HD1      LEU 121 -10.282  14.134  -8.046
 2055   1HD2  LEU 121          1HD2      LEU 121 -13.098  13.214  -9.805
 2056   2HD2  LEU 121          2HD2      LEU 121 -13.489  12.516  -8.232
 2057   3HD2  LEU 121          3HD2      LEU 121 -12.713  14.097  -8.327
 2058    H    GLU 122           H        GLU 122 -11.591   9.098 -11.942
 2059    HA   GLU 122           HA       GLU 122 -11.887  10.726 -14.229
 2060   1HB   GLU 122          2HB       GLU 122 -11.209   7.831 -13.831
 2061   2HB   GLU 122          3HB       GLU 122 -11.402   8.499 -15.447
 2062   1HG   GLU 122          2HG       GLU 122  -9.729  10.308 -14.574
 2063   2HG   GLU 122          3HG       GLU 122  -9.320   9.060 -13.397
 2064    H    GLU 123           H        GLU 123 -13.851   8.012 -13.031
 2065    HA   GLU 123           HA       GLU 123 -15.530   7.954 -15.341
 2066   1HB   GLU 123          2HB       GLU 123 -16.298   6.876 -12.636
 2067   2HB   GLU 123          3HB       GLU 123 -16.812   6.312 -14.219
 2068   1HG   GLU 123          2HG       GLU 123 -13.937   6.161 -13.416
 2069   2HG   GLU 123          3HG       GLU 123 -15.089   4.944 -12.869
 2070    H    GLY 124           H        GLY 124 -15.293  10.134 -12.841
 2071   1HA   GLY 124          1HA       GLY 124 -16.546  12.046 -12.472
 2072   2HA   GLY 124          2HA       GLY 124 -17.716  11.462 -13.646
 2073    H    LEU 125           H        LEU 125 -16.737   9.447 -11.006
 2074    HA   LEU 125           HA       LEU 125 -19.455   9.294 -10.089
 2075   1HB   LEU 125          2HB       LEU 125 -16.967   8.000  -8.969
 2076   2HB   LEU 125          3HB       LEU 125 -18.621   7.566  -8.582
 2077    HG   LEU 125           HG       LEU 125 -17.403   7.314 -11.333
 2078   1HD1  LEU 125          1HD1      LEU 125 -16.898   5.757  -9.077
 2079   2HD1  LEU 125          2HD1      LEU 125 -18.065   4.839 -10.031
 2080   3HD1  LEU 125          3HD1      LEU 125 -16.544   5.357 -10.758
 2081   1HD2  LEU 125          1HD2      LEU 125 -20.084   7.288 -10.450
 2082   2HD2  LEU 125          2HD2      LEU 125 -19.459   6.882 -12.050
 2083   3HD2  LEU 125          3HD2      LEU 125 -19.647   5.621 -10.830
 2084    HA   PRO 126           HA       PRO 126 -19.574  12.098  -6.714
 2085   1HB   PRO 126          2HB       PRO 126 -20.360  10.489  -4.609
 2086   2HB   PRO 126          3HB       PRO 126 -21.458  11.162  -5.821
 2087   1HG   PRO 126          2HG       PRO 126 -20.172   8.450  -5.725
 2088   2HG   PRO 126          3HG       PRO 126 -21.860   8.877  -6.099
 2089   1HD   PRO 126          2HD       PRO 126 -20.184   8.312  -8.068
 2090   2HD   PRO 126          3HD       PRO 126 -21.298   9.690  -8.232
 2091    H    SER 127           H        SER 127 -17.714  12.898  -5.919
 2092    HA   SER 127           HA       SER 127 -16.071  11.135  -4.245
 2093   1HB   SER 127          2HB       SER 127 -14.403  13.112  -5.352
 2094   2HB   SER 127          3HB       SER 127 -14.435  11.397  -5.767
 2095    HG   SER 127           HG       SER 127 -16.080  11.918  -7.325
 2096    H    LEU 128           H        LEU 128 -15.017  12.128  -2.494
 2097    HA   LEU 128           HA       LEU 128 -16.212  14.638  -1.595
 2098   1HB   LEU 128          2HB       LEU 128 -14.932  12.327  -0.325
 2099   2HB   LEU 128          3HB       LEU 128 -14.369  13.861   0.306
 2100    HG   LEU 128           HG       LEU 128 -17.311  13.371   0.099
 2101   1HD1  LEU 128          1HD1      LEU 128 -15.464  11.794   1.667
 2102   2HD1  LEU 128          2HD1      LEU 128 -16.596  12.677   2.693
 2103   3HD1  LEU 128          3HD1      LEU 128 -17.203  11.599   1.437
 2104   1HD2  LEU 128          1HD2      LEU 128 -16.094  15.562   0.778
 2105   2HD2  LEU 128          2HD2      LEU 128 -17.474  15.009   1.725
 2106   3HD2  LEU 128          3HD2      LEU 128 -15.835  14.736   2.313
 2107    H    ASP 129           H        ASP 129 -15.253  16.228  -2.707
 2108    HA   ASP 129           HA       ASP 129 -12.330  16.435  -2.561
 2109   1HB   ASP 129          2HB       ASP 129 -12.309  15.917  -4.754
 2110   2HB   ASP 129          3HB       ASP 129 -14.042  16.147  -4.913
 2111    H    ARG 130           H        ARG 130 -11.567  18.377  -2.092
 2112    HA   ARG 130           HA       ARG 130 -13.418  20.661  -2.103
 2113   1HB   ARG 130          2HB       ARG 130 -12.899  19.575   0.213
 2114   2HB   ARG 130          3HB       ARG 130 -11.324  20.341   0.036
 2115   1HG   ARG 130          2HG       ARG 130 -12.140  22.414   0.377
 2116   2HG   ARG 130          3HG       ARG 130 -13.667  22.064  -0.432
 2117   1HD   ARG 130          2HD       ARG 130 -12.853  21.343   2.377
 2118   2HD   ARG 130          3HD       ARG 130 -14.141  22.436   1.876
 2119    HE   ARG 130           HE       ARG 130 -14.277  19.580   2.093
 2120   1HH1  ARG 130          1HH1      ARG 130 -15.643  22.370   0.463
 2121   2HH1  ARG 130          2HH1      ARG 130 -17.163  21.586   0.134
 2122   1HH2  ARG 130          1HH2      ARG 130 -16.278  18.565   1.680
 2123   2HH2  ARG 130          2HH2      ARG 130 -17.523  19.422   0.834
 2124    H    SER 131           H        SER 131 -12.293  20.854  -4.202
 2125    HA   SER 131           HA       SER 131  -9.532  21.270  -4.373
 2126   1HB   SER 131          2HB       SER 131 -10.954  22.622  -6.490
 2127   2HB   SER 131          3HB       SER 131  -9.996  21.139  -6.558
 2128    HG   SER 131           HG       SER 131 -11.826  19.965  -5.919
 2129    H    HIS 132           H        HIS 132 -12.069  23.391  -3.422
 2130    HA   HIS 132           HA       HIS 132 -10.438  25.764  -3.859
 2131   1HB   HIS 132          2HB       HIS 132 -13.206  25.329  -3.741
 2132   2HB   HIS 132          3HB       HIS 132 -12.818  26.238  -2.282
 2133    HD1  HIS 132           HD1      HIS 132 -13.913  28.408  -3.126
 2134    HD2  HIS 132           HD2      HIS 132 -10.902  26.962  -5.605
 2135    HE1  HIS 132           HE1      HIS 132 -13.399  30.273  -4.730
 2136    HE2  HIS 132           HE2      HIS 132 -11.406  29.460  -6.047
 2137    H    HIS 133           H        HIS 133  -8.871  26.098  -2.483
 2138    HA   HIS 133           HA       HIS 133  -8.871  25.008   0.164
 2139   1HB   HIS 133          2HB       HIS 133  -6.985  26.524  -1.549
 2140   2HB   HIS 133          3HB       HIS 133  -6.767  26.705   0.188
 2141    HD1  HIS 133           HD1      HIS 133  -6.305  24.308  -2.612
 2142    HD2  HIS 133           HD2      HIS 133  -6.009  24.319   1.539
 2143    HE1  HIS 133           HE1      HIS 133  -5.032  22.222  -2.013
 2144    HE2  HIS 133           HE2      HIS 133  -4.726  22.332   0.485
 2145    H    HIS 134           H        HIS 134 -10.388  25.873   1.470
 2146    HA   HIS 134           HA       HIS 134 -11.060  28.629   1.566
 2147   1HB   HIS 134          2HB       HIS 134 -12.754  27.220   2.363
 2148   2HB   HIS 134          3HB       HIS 134 -11.637  26.259   3.324
 2149    HD1  HIS 134           HD1      HIS 134 -11.971  26.619   5.744
 2150    HD2  HIS 134           HD2      HIS 134 -12.782  30.065   3.557
 2151    HE1  HIS 134           HE1      HIS 134 -12.633  28.355   7.433
 2152    HE2  HIS 134           HE2      HIS 134 -12.888  30.484   6.114
 2153    H    HIS 135           H        HIS 135  -9.525  30.044   2.020
 2154    HA   HIS 135           HA       HIS 135  -8.536  30.329   4.654
 2155   1HB   HIS 135          2HB       HIS 135  -6.883  28.745   2.904
 2156   2HB   HIS 135          3HB       HIS 135  -6.064  30.259   3.266
 2157    HD1  HIS 135           HD1      HIS 135  -7.934  27.615   5.280
 2158    HD2  HIS 135           HD2      HIS 135  -4.554  30.029   5.507
 2159    HE1  HIS 135           HE1      HIS 135  -6.824  27.023   7.460
 2160    HE2  HIS 135           HE2      HIS 135  -4.816  28.533   7.611
 2161    H    HIS 136           H        HIS 136  -8.826  32.457   4.786
 2162    HA   HIS 136           HA       HIS 136  -7.503  34.137   2.799
 2163   1HB   HIS 136          2HB       HIS 136  -9.451  35.669   2.662
 2164   2HB   HIS 136          3HB       HIS 136  -9.777  34.084   1.983
 2165    HD1  HIS 136           HD1      HIS 136 -12.250  33.958   2.288
 2166    HD2  HIS 136           HD2      HIS 136 -10.282  35.044   5.792
 2167    HE1  HIS 136           HE1      HIS 136 -14.004  33.934   4.092
 2168    HE2  HIS 136           HE2      HIS 136 -12.815  34.683   6.182
 2169    H    HIS 137           H        HIS 137  -7.551  36.499   3.544
 2170    HA   HIS 137           HA       HIS 137  -7.775  37.005   6.353
 2171   1HB   HIS 137          2HB       HIS 137  -5.583  35.681   6.047
 2172   2HB   HIS 137          3HB       HIS 137  -4.974  37.117   5.235
 2173    HD1  HIS 137           HD1      HIS 137  -6.199  39.243   7.173
 2174    HD2  HIS 137           HD2      HIS 137  -4.141  35.829   8.349
 2175    HE1  HIS 137           HE1      HIS 137  -5.306  39.745   9.474
 2176    HE2  HIS 137           HE2      HIS 137  -3.854  37.763  10.041
  Start of MODEL    5
    1   1H    ALA   1           H1       ALA   1 -24.960  -7.150  18.479
    2   2H    ALA   1           H2       ALA   1 -24.667  -8.403  17.378
    3   3H    ALA   1           H3       ALA   1 -24.498  -8.685  19.041
    4    HA   ALA   1           HA       ALA   1 -22.872  -6.528  18.431
    5   1HB   ALA   1          1HB       ALA   1 -22.277  -9.406  19.096
    6   2HB   ALA   1          2HB       ALA   1 -21.065  -8.125  19.068
    7   3HB   ALA   1          3HB       ALA   1 -22.402  -8.049  20.215
    8    H    ASP   2           H        ASP   2 -20.620  -7.084  17.317
    9    HA   ASP   2           HA       ASP   2 -21.258  -8.000  14.591
   10   1HB   ASP   2          2HB       ASP   2 -19.619  -6.446  13.740
   11   2HB   ASP   2          3HB       ASP   2 -20.714  -5.564  14.800
   12    H    MET   3           H        MET   3 -19.461  -8.974  13.401
   13    HA   MET   3           HA       MET   3 -18.010 -10.798  15.138
   14   1HB   MET   3          2HB       MET   3 -19.086 -10.887  12.456
   15   2HB   MET   3          3HB       MET   3 -17.408 -11.415  12.473
   16   1HG   MET   3          2HG       MET   3 -18.569 -12.685  14.652
   17   2HG   MET   3          3HG       MET   3 -19.780 -12.777  13.375
   18   1HE   MET   3          1HE       MET   3 -18.477 -15.021  14.861
   19   2HE   MET   3          2HE       MET   3 -19.248 -15.785  13.471
   20   3HE   MET   3          3HE       MET   3 -17.559 -16.131  13.847
   21    H    GLY   4           H        GLY   4 -17.338  -7.870  14.374
   22   1HA   GLY   4          1HA       GLY   4 -15.007  -7.710  12.898
   23   2HA   GLY   4          2HA       GLY   4 -15.430  -6.602  14.193
   24    H    GLU   5           H        GLU   5 -15.405  -8.750  16.187
   25    HA   GLU   5           HA       GLU   5 -12.665  -8.599  16.944
   26   1HB   GLU   5          2HB       GLU   5 -14.580  -8.729  18.548
   27   2HB   GLU   5          3HB       GLU   5 -14.821 -10.401  18.062
   28   1HG   GLU   5          2HG       GLU   5 -12.105 -10.132  18.762
   29   2HG   GLU   5          3HG       GLU   5 -13.050  -9.334  20.018
   30    H    LYS   6           H        LYS   6 -14.720 -11.097  15.551
   31    HA   LYS   6           HA       LYS   6 -12.932 -13.223  15.875
   32   1HB   LYS   6          2HB       LYS   6 -15.281 -12.802  14.055
   33   2HB   LYS   6          3HB       LYS   6 -14.335 -14.282  14.003
   34   1HG   LYS   6          2HG       LYS   6 -15.945 -13.208  16.300
   35   2HG   LYS   6          3HG       LYS   6 -16.209 -14.693  15.386
   36   1HD   LYS   6          2HD       LYS   6 -14.148 -15.629  16.272
   37   2HD   LYS   6          3HD       LYS   6 -13.816 -14.126  17.136
   38   1HE   LYS   6          2HE       LYS   6 -16.455 -15.097  17.754
   39   2HE   LYS   6          3HE       LYS   6 -15.249 -16.346  18.059
   40   1HZ   LYS   6          HZ1       LYS   6 -14.504 -13.724  19.021
   41   2HZ   LYS   6          HZ2       LYS   6 -15.884 -14.373  19.772
   42   3HZ   LYS   6          HZ3       LYS   6 -14.426 -15.234  19.791
   43    H    PHE   7           H        PHE   7 -13.674 -11.475  12.804
   44    HA   PHE   7           HA       PHE   7 -11.633 -12.884  11.455
   45   1HB   PHE   7          2HB       PHE   7 -11.906 -11.172   9.624
   46   2HB   PHE   7          3HB       PHE   7 -13.341 -12.079  10.058
   47    HD1  PHE   7           HD1      PHE   7 -11.681  -8.854  10.994
   48    HD2  PHE   7           HD2      PHE   7 -15.304 -10.920  10.135
   49    HE1  PHE   7           HE1      PHE   7 -12.925  -6.741  11.173
   50    HE2  PHE   7           HE2      PHE   7 -16.551  -8.806  10.307
   51    HZ   PHE   7           HZ       PHE   7 -15.362  -6.714  10.824
   52    H    ASP   8           H        ASP   8 -11.596 -10.042  13.347
   53    HA   ASP   8           HA       ASP   8  -9.264  -8.768  12.482
   54   1HB   ASP   8          2HB       ASP   8 -10.459  -7.660  14.205
   55   2HB   ASP   8          3HB       ASP   8 -10.416  -9.071  15.255
   56    H    ALA   9           H        ALA   9  -9.596 -11.392  14.874
   57    HA   ALA   9           HA       ALA   9  -6.878 -11.794  15.362
   58   1HB   ALA   9          1HB       ALA   9  -9.326 -12.995  16.107
   59   2HB   ALA   9          2HB       ALA   9  -8.255 -14.278  15.545
   60   3HB   ALA   9          3HB       ALA   9  -7.737 -13.202  16.844
   61    H    THR  10           H        THR  10  -9.027 -13.365  12.961
   62    HA   THR  10           HA       THR  10  -7.095 -15.165  12.002
   63    HB   THR  10           HB       THR  10  -8.971 -14.359   9.957
   64    HG1  THR  10           HG1      THR  10 -10.514 -15.384  11.950
   65   1HG2  THR  10          1HG2      THR  10  -8.139 -16.777  11.435
   66   2HG2  THR  10          2HG2      THR  10  -9.774 -16.799  10.775
   67   3HG2  THR  10          3HG2      THR  10  -8.395 -16.538   9.707
   68    H    PHE  11           H        PHE  11  -8.134 -11.982  10.810
   69    HA   PHE  11           HA       PHE  11  -6.474 -11.811   8.573
   70   1HB   PHE  11          2HB       PHE  11  -8.345 -10.186   9.648
   71   2HB   PHE  11          3HB       PHE  11  -6.893  -9.330  10.158
   72    HD1  PHE  11           HD1      PHE  11  -5.071  -9.236   8.140
   73    HD2  PHE  11           HD2      PHE  11  -9.305  -9.413   7.736
   74    HE1  PHE  11           HE1      PHE  11  -4.903  -8.202   5.907
   75    HE2  PHE  11           HE2      PHE  11  -9.145  -8.385   5.508
   76    HZ   PHE  11           HZ       PHE  11  -6.941  -7.776   4.592
   77    H    LYS  12           H        LYS  12  -5.921 -10.965  11.926
   78    HA   LYS  12           HA       LYS  12  -3.321  -9.904  11.716
   79   1HB   LYS  12          2HB       LYS  12  -5.069  -9.959  13.668
   80   2HB   LYS  12          3HB       LYS  12  -4.255 -11.452  14.094
   81   1HG   LYS  12          2HG       LYS  12  -3.078  -9.996  15.373
   82   2HG   LYS  12          3HG       LYS  12  -2.111  -9.933  13.898
   83   1HD   LYS  12          2HD       LYS  12  -2.570  -7.694  14.792
   84   2HD   LYS  12          3HD       LYS  12  -3.276  -7.927  13.189
   85   1HE   LYS  12          2HE       LYS  12  -5.177  -8.732  15.150
   86   2HE   LYS  12          3HE       LYS  12  -4.563  -7.138  15.586
   87   1HZ   LYS  12          HZ1       LYS  12  -4.989  -6.576  13.140
   88   2HZ   LYS  12          HZ2       LYS  12  -5.961  -7.964  13.129
   89   3HZ   LYS  12          HZ3       LYS  12  -6.334  -6.691  14.178
   90    H    ALA  13           H        ALA  13  -4.529 -13.174  11.814
   91    HA   ALA  13           HA       ALA  13  -2.058 -14.414  12.524
   92   1HB   ALA  13          1HB       ALA  13  -4.771 -15.280  11.833
   93   2HB   ALA  13          2HB       ALA  13  -3.498 -16.395  11.342
   94   3HB   ALA  13          3HB       ALA  13  -3.645 -15.916  13.031
   95    H    GLN  14           H        GLN  14  -3.794 -13.894   9.494
   96    HA   GLN  14           HA       GLN  14  -1.879 -15.288   7.895
   97   1HB   GLN  14          2HB       GLN  14  -4.266 -13.590   7.359
   98   2HB   GLN  14          3HB       GLN  14  -3.114 -13.831   6.050
   99   1HG   GLN  14          2HG       GLN  14  -3.392 -16.364   6.836
  100   2HG   GLN  14          3HG       GLN  14  -4.965 -15.743   7.333
  101   1HE2  GLN  14          1HE2      GLN  14  -6.442 -15.148   5.796
  102   2HE2  GLN  14          2HE2      GLN  14  -6.238 -15.475   4.108
  103    H    VAL  15           H        VAL  15  -2.582 -11.848   8.421
  104    HA   VAL  15           HA       VAL  15  -0.646 -10.838   6.693
  105    HB   VAL  15           HB       VAL  15  -2.117  -9.706   9.035
  106   1HG1  VAL  15          1HG1      VAL  15   0.467  -8.804   8.349
  107   2HG1  VAL  15          2HG1      VAL  15  -0.678  -7.607   7.744
  108   3HG1  VAL  15          3HG1      VAL  15  -0.691  -8.058   9.449
  109   1HG2  VAL  15          1HG2      VAL  15  -3.053  -9.964   6.694
  110   2HG2  VAL  15          2HG2      VAL  15  -3.175  -8.359   7.412
  111   3HG2  VAL  15          3HG2      VAL  15  -1.933  -8.692   6.203
  112    H    LYS  16           H        LYS  16  -0.351 -11.665  10.133
  113    HA   LYS  16           HA       LYS  16   2.237 -10.602  10.491
  114   1HB   LYS  16          2HB       LYS  16   0.463 -12.429  11.996
  115   2HB   LYS  16          3HB       LYS  16   2.181 -12.524  12.369
  116   1HG   LYS  16          2HG       LYS  16   2.014  -9.939  12.536
  117   2HG   LYS  16          3HG       LYS  16   0.289 -10.249  12.730
  118   1HD   LYS  16          2HD       LYS  16   1.514 -12.072  14.431
  119   2HD   LYS  16          3HD       LYS  16   2.457 -10.591  14.620
  120   1HE   LYS  16          2HE       LYS  16  -0.509 -10.947  14.998
  121   2HE   LYS  16          3HE       LYS  16   0.693 -10.545  16.224
  122   1HZ   LYS  16          HZ1       LYS  16   1.115  -8.480  14.838
  123   2HZ   LYS  16          HZ2       LYS  16  -0.331  -8.833  14.034
  124   3HZ   LYS  16          HZ3       LYS  16  -0.339  -8.531  15.703
  125    H    ALA  17           H        ALA  17   1.145 -13.613   9.152
  126    HA   ALA  17           HA       ALA  17   3.508 -15.121   9.444
  127   1HB   ALA  17          1HB       ALA  17   1.279 -16.038   8.819
  128   2HB   ALA  17          2HB       ALA  17   1.497 -15.347   7.210
  129   3HB   ALA  17          3HB       ALA  17   2.599 -16.597   7.790
  130    H    ALA  18           H        ALA  18   2.615 -12.588   7.269
  131    HA   ALA  18           HA       ALA  18   4.393 -13.122   5.156
  132   1HB   ALA  18          1HB       ALA  18   2.419 -11.541   5.164
  133   2HB   ALA  18          2HB       ALA  18   3.480 -10.375   5.956
  134   3HB   ALA  18          3HB       ALA  18   3.876 -10.977   4.346
  135    H    LYS  19           H        LYS  19   4.907 -11.492   8.256
  136    HA   LYS  19           HA       LYS  19   7.407 -10.329   7.507
  137   1HB   LYS  19          2HB       LYS  19   7.502  -9.490   9.670
  138   2HB   LYS  19          3HB       LYS  19   5.775  -9.584   9.367
  139   1HG   LYS  19          2HG       LYS  19   5.450 -11.206  10.912
  140   2HG   LYS  19          3HG       LYS  19   7.027 -11.945  10.631
  141   1HD   LYS  19          2HD       LYS  19   7.727  -9.530  11.689
  142   2HD   LYS  19          3HD       LYS  19   6.224  -9.875  12.547
  143   1HE   LYS  19          2HE       LYS  19   7.110 -12.053  13.229
  144   2HE   LYS  19          3HE       LYS  19   8.606 -11.720  12.356
  145   1HZ   LYS  19          HZ1       LYS  19   7.765  -9.760  14.348
  146   2HZ   LYS  19          HZ2       LYS  19   8.345 -11.244  14.932
  147   3HZ   LYS  19          HZ3       LYS  19   9.324 -10.286  13.936
  148    H    ALA  20           H        ALA  20   6.389 -13.420   8.501
  149    HA   ALA  20           HA       ALA  20   8.807 -14.233   9.805
  150   1HB   ALA  20          1HB       ALA  20   6.497 -15.851   8.740
  151   2HB   ALA  20          2HB       ALA  20   7.832 -16.509   9.688
  152   3HB   ALA  20          3HB       ALA  20   6.747 -15.314  10.402
  153    H    ASP  21           H        ASP  21   7.732 -14.108   6.529
  154    HA   ASP  21           HA       ASP  21   9.581 -16.110   5.593
  155   1HB   ASP  21          2HB       ASP  21   7.213 -15.276   4.648
  156   2HB   ASP  21          3HB       ASP  21   8.279 -14.284   3.656
  157    H    MET  22           H        MET  22  10.193 -13.122   6.641
  158    HA   MET  22           HA       MET  22  12.548 -12.913   4.942
  159   1HB   MET  22          2HB       MET  22  12.095 -10.331   4.935
  160   2HB   MET  22          3HB       MET  22  11.374 -11.364   3.712
  161   1HG   MET  22          2HG       MET  22   9.355 -11.461   5.320
  162   2HG   MET  22          3HG       MET  22  10.087 -10.039   6.059
  163   1HE   MET  22          1HE       MET  22  11.461  -8.658   3.987
  164   2HE   MET  22          2HE       MET  22  11.117  -9.333   2.394
  165   3HE   MET  22          3HE       MET  22  10.441  -7.771   2.853
  166    H    VAL  23           H        VAL  23  14.143 -11.361   5.822
  167    HA   VAL  23           HA       VAL  23  14.386 -11.744   8.655
  168    HB   VAL  23           HB       VAL  23  16.178 -10.080   6.883
  169   1HG1  VAL  23          1HG1      VAL  23  16.282 -11.020   9.669
  170   2HG1  VAL  23          2HG1      VAL  23  17.771 -11.223   8.747
  171   3HG1  VAL  23          3HG1      VAL  23  17.047  -9.624   8.910
  172   1HG2  VAL  23          1HG2      VAL  23  15.688 -12.587   6.247
  173   2HG2  VAL  23          2HG2      VAL  23  17.325 -11.935   6.178
  174   3HG2  VAL  23          3HG2      VAL  23  16.820 -12.909   7.561
  175    H    MET  24           H        MET  24  13.370 -10.485  10.065
  176    HA   MET  24           HA       MET  24  12.502  -7.826   9.377
  177   1HB   MET  24          2HB       MET  24  12.232  -9.583  11.797
  178   2HB   MET  24          3HB       MET  24  11.842  -7.872  11.904
  179   1HG   MET  24          2HG       MET  24  10.596  -9.044   9.598
  180   2HG   MET  24          3HG       MET  24  10.189  -9.948  11.055
  181   1HE   MET  24          1HE       MET  24  10.298  -6.401   9.405
  182   2HE   MET  24          2HE       MET  24   8.948  -7.365   8.802
  183   3HE   MET  24          3HE       MET  24   8.640  -5.911   9.754
  184    H    LEU  25           H        LEU  25  13.872  -6.164   9.402
  185    HA   LEU  25           HA       LEU  25  15.887  -6.058  11.546
  186   1HB   LEU  25          2HB       LEU  25  16.184  -5.909   8.654
  187   2HB   LEU  25          3HB       LEU  25  16.851  -4.499   9.453
  188    HG   LEU  25           HG       LEU  25  17.767  -7.325   9.518
  189   1HD1  LEU  25          1HD1      LEU  25  18.709  -4.932   8.507
  190   2HD1  LEU  25          2HD1      LEU  25  19.686  -5.198   9.953
  191   3HD1  LEU  25          3HD1      LEU  25  19.625  -6.429   8.691
  192   1HD2  LEU  25          1HD2      LEU  25  17.358  -5.810  11.916
  193   2HD2  LEU  25          2HD2      LEU  25  18.018  -7.434  11.723
  194   3HD2  LEU  25          3HD2      LEU  25  19.084  -6.032  11.637
  195    H    SER  26           H        SER  26  16.272  -4.072  12.466
  196    HA   SER  26           HA       SER  26  14.130  -2.143  12.199
  197   1HB   SER  26          2HB       SER  26  16.401  -1.542  13.991
  198   2HB   SER  26          3HB       SER  26  14.666  -1.523  14.318
  199    HG   SER  26           HG       SER  26  14.721  -3.803  14.455
  200    HA   PRO  27           HA       PRO  27  15.877   0.544   9.246
  201   1HB   PRO  27          2HB       PRO  27  15.369   2.967  10.620
  202   2HB   PRO  27          3HB       PRO  27  14.349   2.183   9.413
  203   1HG   PRO  27          2HG       PRO  27  14.201   2.065  12.384
  204   2HG   PRO  27          3HG       PRO  27  12.892   2.033  11.188
  205   1HD   PRO  27          2HD       PRO  27  13.610  -0.195  12.437
  206   2HD   PRO  27          3HD       PRO  27  13.237  -0.229  10.702
  207    H    LYS  28           H        LYS  28  17.065   0.828  12.566
  208    HA   LYS  28           HA       LYS  28  19.202   2.621  11.877
  209   1HB   LYS  28          2HB       LYS  28  18.623   0.902  14.277
  210   2HB   LYS  28          3HB       LYS  28  20.143   1.771  14.118
  211   1HG   LYS  28          2HG       LYS  28  17.380   2.853  14.470
  212   2HG   LYS  28          3HG       LYS  28  18.838   3.188  15.402
  213   1HD   LYS  28          2HD       LYS  28  19.070   3.924  12.587
  214   2HD   LYS  28          3HD       LYS  28  17.781   4.786  13.426
  215   1HE   LYS  28          2HE       LYS  28  20.543   4.567  14.580
  216   2HE   LYS  28          3HE       LYS  28  20.126   5.826  13.420
  217   1HZ   LYS  28          HZ1       LYS  28  18.419   5.448  15.784
  218   2HZ   LYS  28          HZ2       LYS  28  19.907   6.239  15.969
  219   3HZ   LYS  28          HZ3       LYS  28  18.744   6.864  14.904
  220    H    ASP  29           H        ASP  29  18.881  -0.869  12.343
  221    HA   ASP  29           HA       ASP  29  21.625  -1.455  11.721
  222   1HB   ASP  29          2HB       ASP  29  19.735  -2.898  12.964
  223   2HB   ASP  29          3HB       ASP  29  19.504  -3.519  11.330
  224    H    ALA  30           H        ALA  30  18.590  -1.313  10.038
  225    HA   ALA  30           HA       ALA  30  19.429  -2.435   7.578
  226   1HB   ALA  30          1HB       ALA  30  17.051  -2.087   8.279
  227   2HB   ALA  30          2HB       ALA  30  17.259  -0.375   7.914
  228   3HB   ALA  30          3HB       ALA  30  17.423  -1.577   6.632
  229    H    TYR  31           H        TYR  31  19.252   0.939   8.698
  230    HA   TYR  31           HA       TYR  31  20.076   2.102   6.288
  231   1HB   TYR  31          HB2       TYR  31  19.010   3.458   7.958
  232   2HB   TYR  31          HB3       TYR  31  20.274   3.106   9.129
  233    HD1  TYR  31           HD1      TYR  31  19.693   4.731   5.837
  234    HD2  TYR  31           HD2      TYR  31  22.118   4.536   9.328
  235    HE1  TYR  31           HE1      TYR  31  20.931   6.712   5.078
  236    HE2  TYR  31           HE2      TYR  31  23.363   6.518   8.581
  237    HH   TYR  31           HH       TYR  31  22.334   8.590   6.276
  238    H    LYS  32           H        LYS  32  21.975   1.069   9.110
  239    HA   LYS  32           HA       LYS  32  24.340   2.262   8.218
  240   1HB   LYS  32          2HB       LYS  32  25.477   1.113   9.966
  241   2HB   LYS  32          3HB       LYS  32  23.891   1.569  10.564
  242   1HG   LYS  32          2HG       LYS  32  23.104  -0.659  10.420
  243   2HG   LYS  32          3HG       LYS  32  24.534  -1.172   9.521
  244   1HD   LYS  32          2HD       LYS  32  24.628  -0.075  12.326
  245   2HD   LYS  32          3HD       LYS  32  24.528  -1.796  11.955
  246   1HE   LYS  32          2HE       LYS  32  26.740   0.112  11.209
  247   2HE   LYS  32          3HE       LYS  32  26.828  -1.227  12.353
  248   1HZ   LYS  32          HZ1       LYS  32  25.970  -2.334   9.983
  249   2HZ   LYS  32          HZ2       LYS  32  27.193  -1.246   9.533
  250   3HZ   LYS  32          HZ3       LYS  32  27.517  -2.466  10.664
  251    H    LEU  33           H        LEU  33  23.151  -1.072   7.689
  252    HA   LEU  33           HA       LEU  33  25.541  -1.807   6.265
  253   1HB   LEU  33          2HB       LEU  33  23.936  -3.659   5.336
  254   2HB   LEU  33          3HB       LEU  33  24.562  -3.734   6.968
  255    HG   LEU  33           HG       LEU  33  22.241  -2.436   7.429
  256   1HD1  LEU  33          1HD1      LEU  33  21.925  -3.068   4.796
  257   2HD1  LEU  33          2HD1      LEU  33  21.169  -4.447   5.595
  258   3HD1  LEU  33          3HD1      LEU  33  20.607  -2.809   5.942
  259   1HD2  LEU  33          1HD2      LEU  33  23.096  -4.454   8.547
  260   2HD2  LEU  33          2HD2      LEU  33  21.376  -4.575   8.175
  261   3HD2  LEU  33          3HD2      LEU  33  22.557  -5.424   7.178
  262    H    LEU  34           H        LEU  34  22.574  -0.236   5.496
  263    HA   LEU  34           HA       LEU  34  22.495  -0.544   2.707
  264   1HB   LEU  34          2HB       LEU  34  21.359   1.267   4.717
  265   2HB   LEU  34          3HB       LEU  34  21.572   2.002   3.142
  266    HG   LEU  34           HG       LEU  34  20.154  -0.628   3.408
  267   1HD1  LEU  34          1HD1      LEU  34  19.037   2.126   3.889
  268   2HD1  LEU  34          2HD1      LEU  34  18.038   0.747   3.433
  269   3HD1  LEU  34          3HD1      LEU  34  18.948   0.716   4.943
  270   1HD2  LEU  34          1HD2      LEU  34  20.188   1.634   1.426
  271   2HD2  LEU  34          2HD2      LEU  34  20.704  -0.037   1.183
  272   3HD2  LEU  34          3HD2      LEU  34  18.990   0.338   1.391
  273    H    GLN  35           H        GLN  35  23.963   1.995   4.712
  274    HA   GLN  35           HA       GLN  35  25.112   3.323   2.456
  275   1HB   GLN  35          2HB       GLN  35  25.752   3.672   5.387
  276   2HB   GLN  35          3HB       GLN  35  26.177   4.783   4.092
  277   1HG   GLN  35          2HG       GLN  35  23.351   4.056   4.805
  278   2HG   GLN  35          3HG       GLN  35  24.204   5.449   5.465
  279   1HE2  GLN  35          1HE2      GLN  35  23.573   7.237   4.530
  280   2HE2  GLN  35          2HE2      GLN  35  23.213   7.453   2.853
  281    H    GLU  36           H        GLU  36  26.264   0.995   4.822
  282    HA   GLU  36           HA       GLU  36  29.020   1.272   4.215
  283   1HB   GLU  36          2HB       GLU  36  27.368  -0.762   5.662
  284   2HB   GLU  36          3HB       GLU  36  29.048  -1.117   5.288
  285   1HG   GLU  36          2HG       GLU  36  29.843   0.584   6.652
  286   2HG   GLU  36          3HG       GLU  36  28.293   1.421   6.671
  287    H    ASN  37           H        ASN  37  26.443  -0.423   2.659
  288    HA   ASN  37           HA       ASN  37  28.408  -1.900   1.030
  289   1HB   ASN  37          2HB       ASN  37  25.829  -2.656   2.209
  290   2HB   ASN  37          3HB       ASN  37  25.998  -3.109   0.515
  291   1HD2  ASN  37          1HD2      ASN  37  26.769  -3.868   3.706
  292   2HD2  ASN  37          2HD2      ASN  37  27.882  -5.158   3.395
  293    HA   PRO  38           HA       PRO  38  26.849   0.407  -2.450
  294   1HB   PRO  38          2HB       PRO  38  28.223  -0.816  -4.379
  295   2HB   PRO  38          3HB       PRO  38  29.049   0.170  -3.168
  296   1HG   PRO  38          2HG       PRO  38  28.814  -2.804  -3.350
  297   2HG   PRO  38          3HG       PRO  38  30.210  -1.817  -2.883
  298   1HD   PRO  38          2HD       PRO  38  28.474  -3.075  -1.116
  299   2HD   PRO  38          3HD       PRO  38  29.539  -1.716  -0.709
  300    H    ASP  39           H        ASP  39  26.301  -2.848  -1.774
  301    HA   ASP  39           HA       ASP  39  24.680  -3.387  -4.127
  302   1HB   ASP  39          2HB       ASP  39  26.114  -4.969  -2.188
  303   2HB   ASP  39          3HB       ASP  39  24.425  -5.464  -2.212
  304    H    ILE  40           H        ILE  40  24.257  -3.872  -0.661
  305    HA   ILE  40           HA       ILE  40  21.645  -4.255  -0.453
  306    HB   ILE  40           HB       ILE  40  23.195  -2.532   1.480
  307   1HG1  ILE  40          2HG1      ILE  40  22.789  -5.530   1.345
  308   2HG1  ILE  40          3HG1      ILE  40  24.295  -4.678   1.028
  309   1HG2  ILE  40          1HG2      ILE  40  20.483  -3.068   1.458
  310   2HG2  ILE  40          2HG2      ILE  40  21.138  -4.266   2.575
  311   3HG2  ILE  40          3HG2      ILE  40  21.434  -2.549   2.852
  312   1HD1  ILE  40          1HD1      ILE  40  23.529  -3.854   3.571
  313   2HD1  ILE  40          2HD1      ILE  40  23.181  -5.582   3.518
  314   3HD1  ILE  40          3HD1      ILE  40  24.805  -5.000   3.156
  315    H    THR  41           H        THR  41  20.177  -3.286  -1.586
  316    HA   THR  41           HA       THR  41  19.980  -0.362  -1.607
  317    HB   THR  41           HB       THR  41  18.462  -2.374  -3.283
  318    HG1  THR  41           HG1      THR  41  20.946  -2.038  -3.483
  319   1HG2  THR  41          1HG2      THR  41  18.115   0.412  -2.890
  320   2HG2  THR  41          2HG2      THR  41  18.773   0.183  -4.509
  321   3HG2  THR  41          3HG2      THR  41  17.286  -0.640  -4.037
  322    H    LEU  42           H        LEU  42  18.090   0.688  -0.926
  323    HA   LEU  42           HA       LEU  42  16.240  -0.978   0.636
  324   1HB   LEU  42          2HB       LEU  42  17.220   0.682   2.037
  325   2HB   LEU  42          3HB       LEU  42  16.996   1.935   0.832
  326    HG   LEU  42           HG       LEU  42  14.480   1.578   1.184
  327   1HD1  LEU  42          1HD1      LEU  42  15.518  -0.420   2.930
  328   2HD1  LEU  42          2HD1      LEU  42  14.666   0.791   3.889
  329   3HD1  LEU  42          3HD1      LEU  42  13.836  -0.030   2.565
  330   1HD2  LEU  42          1HD2      LEU  42  15.962   3.463   2.056
  331   2HD2  LEU  42          2HD2      LEU  42  14.430   3.191   2.884
  332   3HD2  LEU  42          3HD2      LEU  42  15.935   2.610   3.600
  333    H    ILE  43           H        ILE  43  14.253  -1.216  -0.080
  334    HA   ILE  43           HA       ILE  43  13.274   0.603  -2.181
  335    HB   ILE  43           HB       ILE  43  12.552  -2.264  -1.586
  336   1HG1  ILE  43          2HG1      ILE  43  12.967  -1.398  -4.348
  337   2HG1  ILE  43          3HG1      ILE  43  14.373  -1.128  -3.320
  338   1HG2  ILE  43          1HG2      ILE  43  10.920  -0.146  -2.842
  339   2HG2  ILE  43          2HG2      ILE  43  10.979  -1.691  -3.689
  340   3HG2  ILE  43          3HG2      ILE  43  10.424  -1.623  -2.019
  341   1HD1  ILE  43          1HD1      ILE  43  13.422  -3.702  -2.729
  342   2HD1  ILE  43          2HD1      ILE  43  13.420  -3.544  -4.486
  343   3HD1  ILE  43          3HD1      ILE  43  14.904  -3.255  -3.575
  344    H    ASP  44           H        ASP  44  11.998   2.082  -1.401
  345    HA   ASP  44           HA       ASP  44  10.547   1.532   1.086
  346   1HB   ASP  44          2HB       ASP  44  11.430   3.551   1.581
  347   2HB   ASP  44          3HB       ASP  44  11.803   3.885  -0.102
  348    H    VAL  45           H        VAL  45   8.367   1.512   1.198
  349    HA   VAL  45           HA       VAL  45   6.937   2.103  -1.304
  350    HB   VAL  45           HB       VAL  45   5.113   0.594  -0.121
  351   1HG1  VAL  45          1HG1      VAL  45   6.813   0.280  -2.232
  352   2HG1  VAL  45          2HG1      VAL  45   7.185  -1.136  -1.250
  353   3HG1  VAL  45          3HG1      VAL  45   5.531  -0.846  -1.786
  354   1HG2  VAL  45          1HG2      VAL  45   7.701  -0.419   1.046
  355   2HG2  VAL  45          2HG2      VAL  45   6.286   0.162   1.925
  356   3HG2  VAL  45          3HG2      VAL  45   6.198  -1.343   1.008
  357    H    ARG  46           H        ARG  46   6.436   4.144  -0.938
  358    HA   ARG  46           HA       ARG  46   4.416   4.655   1.082
  359   1HB   ARG  46          2HB       ARG  46   6.932   5.449   1.658
  360   2HB   ARG  46          3HB       ARG  46   6.398   6.832   0.715
  361   1HG   ARG  46          2HG       ARG  46   6.002   7.295   3.018
  362   2HG   ARG  46          3HG       ARG  46   4.443   7.043   2.233
  363   1HD   ARG  46          2HD       ARG  46   5.914   4.874   3.715
  364   2HD   ARG  46          3HD       ARG  46   4.740   5.937   4.488
  365    HE   ARG  46           HE       ARG  46   4.202   3.745   2.692
  366   1HH1  ARG  46          1HH1      ARG  46   2.948   6.672   4.165
  367   2HH1  ARG  46          2HH1      ARG  46   1.289   6.314   3.768
  368   1HH2  ARG  46          1HH2      ARG  46   1.999   3.286   2.171
  369   2HH2  ARG  46          2HH2      ARG  46   0.754   4.412   2.634
  370    H    ASP  47           H        ASP  47   2.893   6.126   0.388
  371    HA   ASP  47           HA       ASP  47   2.735   6.358  -2.424
  372   1HB   ASP  47          2HB       ASP  47   0.979   7.125  -0.134
  373   2HB   ASP  47          3HB       ASP  47   0.654   7.842  -1.713
  374    HA   PRO  48           HA       PRO  48   5.075   9.730  -3.438
  375   1HB   PRO  48          2HB       PRO  48   3.249  10.979  -5.232
  376   2HB   PRO  48          3HB       PRO  48   4.553   9.857  -5.621
  377   1HG   PRO  48          2HG       PRO  48   1.658   9.343  -5.265
  378   2HG   PRO  48          3HG       PRO  48   2.840   8.488  -6.271
  379   1HD   PRO  48          2HD       PRO  48   1.891   7.409  -4.013
  380   2HD   PRO  48          3HD       PRO  48   3.586   7.184  -4.500
  381    H    ASP  49           H        ASP  49   1.811  10.524  -2.406
  382    HA   ASP  49           HA       ASP  49   2.480  13.316  -2.066
  383   1HB   ASP  49          2HB       ASP  49   0.086  12.068  -2.396
  384   2HB   ASP  49          3HB       ASP  49   0.084  12.376  -0.659
  385    H    GLU  50           H        GLU  50   2.414  10.453  -0.055
  386    HA   GLU  50           HA       GLU  50   2.701  11.843   2.430
  387   1HB   GLU  50          2HB       GLU  50   2.518   9.104   1.542
  388   2HB   GLU  50          3HB       GLU  50   3.853   9.285   2.671
  389   1HG   GLU  50          2HG       GLU  50   1.448  10.650   3.555
  390   2HG   GLU  50          3HG       GLU  50   1.208   8.919   3.322
  391    H    LEU  51           H        LEU  51   4.844  10.503   0.004
  392    HA   LEU  51           HA       LEU  51   7.305  10.801   1.343
  393   1HB   LEU  51          2HB       LEU  51   6.448   9.943  -1.163
  394   2HB   LEU  51          3HB       LEU  51   7.440  11.347  -1.507
  395    HG   LEU  51           HG       LEU  51   9.273  10.297  -0.158
  396   1HD1  LEU  51          1HD1      LEU  51   7.174   8.448   0.439
  397   2HD1  LEU  51          2HD1      LEU  51   8.511   7.602  -0.341
  398   3HD1  LEU  51          3HD1      LEU  51   8.799   8.551   1.117
  399   1HD2  LEU  51          1HD2      LEU  51   8.958  10.155  -2.693
  400   2HD2  LEU  51          2HD2      LEU  51  10.054   8.999  -1.935
  401   3HD2  LEU  51          3HD2      LEU  51   8.429   8.497  -2.402
  402    H    LYS  52           H        LYS  52   5.272  13.002  -0.421
  403    HA   LYS  52           HA       LYS  52   7.144  15.157  -0.563
  404   1HB   LYS  52          2HB       LYS  52   4.135  15.078  -0.807
  405   2HB   LYS  52          3HB       LYS  52   5.082  16.543  -1.015
  406   1HG   LYS  52          2HG       LYS  52   6.239  15.567  -2.905
  407   2HG   LYS  52          3HG       LYS  52   5.374  14.046  -2.669
  408   1HD   LYS  52          2HD       LYS  52   3.320  15.830  -2.807
  409   2HD   LYS  52          3HD       LYS  52   4.489  16.550  -3.914
  410   1HE   LYS  52          2HE       LYS  52   4.385  14.801  -5.381
  411   2HE   LYS  52          3HE       LYS  52   3.967  13.633  -4.128
  412   1HZ   LYS  52          HZ1       LYS  52   1.742  14.594  -4.030
  413   2HZ   LYS  52          HZ2       LYS  52   2.152  15.702  -5.245
  414   3HZ   LYS  52          HZ3       LYS  52   2.102  14.043  -5.599
  415    H    ALA  53           H        ALA  53   4.610  14.181   1.664
  416    HA   ALA  53           HA       ALA  53   4.685  16.567   3.205
  417   1HB   ALA  53          1HB       ALA  53   2.856  14.661   2.914
  418   2HB   ALA  53          2HB       ALA  53   3.603  14.092   4.409
  419   3HB   ALA  53          3HB       ALA  53   2.915  15.716   4.327
  420    H    MET  54           H        MET  54   5.909  13.275   3.836
  421    HA   MET  54           HA       MET  54   7.149  14.309   6.282
  422   1HB   MET  54          2HB       MET  54   6.558  11.515   5.319
  423   2HB   MET  54          3HB       MET  54   7.504  11.841   6.765
  424   1HG   MET  54          2HG       MET  54   4.888  13.192   6.577
  425   2HG   MET  54          3HG       MET  54   4.859  11.443   6.777
  426   1HE   MET  54          1HE       MET  54   6.997  10.505   8.578
  427   2HE   MET  54          2HE       MET  54   6.418  10.823  10.214
  428   3HE   MET  54          3HE       MET  54   5.305  10.214   8.989
  429    H    GLY  55           H        GLY  55   7.999  12.797   3.240
  430   1HA   GLY  55          1HA       GLY  55  10.185  13.565   2.357
  431   2HA   GLY  55          2HA       GLY  55  10.840  13.173   3.938
  432    H    LYS  56           H        LYS  56  12.208  12.041   2.099
  433    HA   LYS  56           HA       LYS  56  11.339   9.237   2.121
  434   1HB   LYS  56          2HB       LYS  56  12.686   9.160  -0.155
  435   2HB   LYS  56          3HB       LYS  56  10.981   9.582  -0.130
  436   1HG   LYS  56          2HG       LYS  56  11.544  11.390  -1.287
  437   2HG   LYS  56          3HG       LYS  56  12.257  12.008   0.205
  438   1HD   LYS  56          2HD       LYS  56  14.292  11.904  -0.681
  439   2HD   LYS  56          3HD       LYS  56  14.084  10.189  -1.037
  440   1HE   LYS  56          2HE       LYS  56  12.558  11.590  -2.941
  441   2HE   LYS  56          3HE       LYS  56  14.107  12.426  -2.832
  442   1HZ   LYS  56          HZ1       LYS  56  14.968   9.943  -2.928
  443   2HZ   LYS  56          HZ2       LYS  56  13.506   9.730  -3.769
  444   3HZ   LYS  56          HZ3       LYS  56  14.658  10.845  -4.331
  445    HA   PRO  57           HA       PRO  57  15.221   8.464   3.964
  446   1HB   PRO  57          2HB       PRO  57  15.548   6.069   2.260
  447   2HB   PRO  57          3HB       PRO  57  15.476   6.202   4.020
  448   1HG   PRO  57          2HG       PRO  57  13.419   5.208   2.622
  449   2HG   PRO  57          3HG       PRO  57  13.164   6.208   4.063
  450   1HD   PRO  57          2HD       PRO  57  12.913   6.942   1.177
  451   2HD   PRO  57          3HD       PRO  57  11.910   7.434   2.557
  452    H    ASP  58           H        ASP  58  17.237   9.150   3.685
  453    HA   ASP  58           HA       ASP  58  18.217   9.514   0.943
  454   1HB   ASP  58          2HB       ASP  58  18.155  11.554   2.256
  455   2HB   ASP  58          3HB       ASP  58  19.084  10.793   3.544
  456    H    VAL  59           H        VAL  59  19.042   7.489   0.509
  457    HA   VAL  59           HA       VAL  59  21.520   6.854   1.936
  458    HB   VAL  59           HB       VAL  59  21.138   4.502   1.967
  459   1HG1  VAL  59          1HG1      VAL  59  19.711   6.204   3.523
  460   2HG1  VAL  59          2HG1      VAL  59  18.435   5.173   2.871
  461   3HG1  VAL  59          3HG1      VAL  59  19.788   4.456   3.747
  462   1HG2  VAL  59          1HG2      VAL  59  19.756   4.680  -0.259
  463   2HG2  VAL  59          2HG2      VAL  59  19.518   3.333   0.854
  464   3HG2  VAL  59          3HG2      VAL  59  18.386   4.685   0.852
  465    H    LYS  60           H        LYS  60  23.027   5.562   0.647
  466    HA   LYS  60           HA       LYS  60  23.458   6.673  -1.858
  467   1HB   LYS  60          2HB       LYS  60  24.508   4.068  -0.738
  468   2HB   LYS  60          3HB       LYS  60  25.139   4.859  -2.175
  469   1HG   LYS  60          2HG       LYS  60  26.251   6.429  -0.991
  470   2HG   LYS  60          3HG       LYS  60  25.029   6.493   0.282
  471   1HD   LYS  60          2HD       LYS  60  26.768   5.486   1.402
  472   2HD   LYS  60          3HD       LYS  60  25.889   4.075   0.810
  473   1HE   LYS  60          2HE       LYS  60  27.830   5.049  -1.120
  474   2HE   LYS  60          3HE       LYS  60  28.581   4.640   0.422
  475   1HZ   LYS  60          HZ1       LYS  60  26.739   2.627  -0.302
  476   2HZ   LYS  60          HZ2       LYS  60  27.799   2.900  -1.597
  477   3HZ   LYS  60          HZ3       LYS  60  28.412   2.496  -0.069
  478    H    ASN  61           H        ASN  61  21.963   3.579  -1.029
  479    HA   ASN  61           HA       ASN  61  21.184   3.301  -3.851
  480   1HB   ASN  61          2HB       ASN  61  21.198   0.831  -2.247
  481   2HB   ASN  61          3HB       ASN  61  21.774   1.111  -3.882
  482   1HD2  ASN  61          1HD2      ASN  61  22.689   0.288  -0.841
  483   2HD2  ASN  61          2HD2      ASN  61  24.367   0.713  -0.917
  484    H    TYR  62           H        TYR  62  19.240   4.493  -3.384
  485    HA   TYR  62           HA       TYR  62  17.269   2.887  -1.893
  486   1HB   TYR  62          HB2       TYR  62  17.385   4.818  -0.608
  487   2HB   TYR  62          HB3       TYR  62  17.756   5.839  -1.989
  488    HD1  TYR  62           HD1      TYR  62  14.903   3.586  -1.054
  489    HD2  TYR  62           HD2      TYR  62  16.160   7.439  -2.344
  490    HE1  TYR  62           HE1      TYR  62  12.558   4.312  -1.151
  491    HE2  TYR  62           HE2      TYR  62  13.821   8.179  -2.435
  492    HH   TYR  62           HH       TYR  62  11.203   6.249  -1.170
  493    H    LYS  63           H        LYS  63  15.611   2.126  -3.078
  494    HA   LYS  63           HA       LYS  63  14.994   3.500  -5.607
  495   1HB   LYS  63          2HB       LYS  63  14.988   0.531  -5.023
  496   2HB   LYS  63          3HB       LYS  63  14.292   1.250  -6.467
  497   1HG   LYS  63          2HG       LYS  63  16.588   2.249  -6.871
  498   2HG   LYS  63          3HG       LYS  63  17.168   1.092  -5.671
  499   1HD   LYS  63          2HD       LYS  63  15.493  -0.318  -7.457
  500   2HD   LYS  63          3HD       LYS  63  16.562   0.682  -8.440
  501   1HE   LYS  63          2HE       LYS  63  17.792  -0.820  -6.202
  502   2HE   LYS  63          3HE       LYS  63  17.233  -1.755  -7.584
  503   1HZ   LYS  63          HZ1       LYS  63  18.595   0.374  -8.666
  504   2HZ   LYS  63          HZ2       LYS  63  19.543  -0.107  -7.339
  505   3HZ   LYS  63          HZ3       LYS  63  19.143  -1.230  -8.548
  506    H    HIS  64           H        HIS  64  13.016   4.349  -5.597
  507    HA   HIS  64           HA       HIS  64  11.130   3.552  -3.545
  508   1HB   HIS  64          2HB       HIS  64  11.574   5.954  -4.102
  509   2HB   HIS  64          3HB       HIS  64  10.858   5.675  -5.685
  510    HD1  HIS  64           HD1      HIS  64   8.885   7.249  -5.374
  511    HD2  HIS  64           HD2      HIS  64   9.135   4.315  -2.435
  512    HE1  HIS  64           HE1      HIS  64   6.729   7.389  -4.093
  513    HE2  HIS  64           HE2      HIS  64   7.017   5.786  -2.178
  514    H    MET  65           H        MET  65   9.425   2.251  -3.862
  515    HA   MET  65           HA       MET  65   8.485   1.829  -6.602
  516   1HB   MET  65          2HB       MET  65   9.585  -0.135  -4.814
  517   2HB   MET  65          3HB       MET  65   7.886  -0.491  -5.100
  518   1HG   MET  65          2HG       MET  65   8.263  -1.169  -7.185
  519   2HG   MET  65          3HG       MET  65   9.331   0.191  -7.529
  520   1HE   MET  65          1HE       MET  65  11.478   0.490  -6.690
  521   2HE   MET  65          2HE       MET  65  12.577  -0.704  -6.004
  522   3HE   MET  65          3HE       MET  65  12.379  -0.593  -7.752
  523    H    SER  66           H        SER  66   6.254   0.771  -6.480
  524    HA   SER  66           HA       SER  66   4.678   2.152  -4.427
  525   1HB   SER  66          2HB       SER  66   4.310   1.842  -7.245
  526   2HB   SER  66          3HB       SER  66   2.991   1.015  -6.416
  527    HG   SER  66           HG       SER  66   3.768   3.734  -6.230
  528    H    ARG  67           H        ARG  67   2.445   0.679  -4.201
  529    HA   ARG  67           HA       ARG  67   3.506  -1.833  -3.156
  530   1HB   ARG  67          2HB       ARG  67   0.867  -1.807  -2.393
  531   2HB   ARG  67          3HB       ARG  67   2.211  -1.234  -1.419
  532   1HG   ARG  67          2HG       ARG  67   0.993   0.694  -3.306
  533   2HG   ARG  67          3HG       ARG  67   0.043   0.225  -1.898
  534   1HD   ARG  67          2HD       ARG  67   1.382   1.333  -0.468
  535   2HD   ARG  67          3HD       ARG  67   2.852   0.900  -1.344
  536    HE   ARG  67           HE       ARG  67   1.030   3.112  -2.067
  537   1HH1  ARG  67          1HH1      ARG  67   4.230   1.708  -1.952
  538   2HH1  ARG  67          2HH1      ARG  67   4.966   2.972  -2.884
  539   1HH2  ARG  67          1HH2      ARG  67   1.967   4.791  -3.295
  540   2HH2  ARG  67          2HH2      ARG  67   3.672   4.735  -3.657
  541    H    GLY  68           H        GLY  68   0.536  -0.856  -4.876
  542   1HA   GLY  68          1HA       GLY  68   0.407  -3.503  -6.107
  543   2HA   GLY  68          2HA       GLY  68  -0.837  -2.264  -6.172
  544    H    LYS  69           H        LYS  69   2.123  -0.899  -6.718
  545    HA   LYS  69           HA       LYS  69   1.929  -1.268  -9.625
  546   1HB   LYS  69          2HB       LYS  69   1.105   0.999  -8.769
  547   2HB   LYS  69          3HB       LYS  69   2.768   1.320  -8.309
  548   1HG   LYS  69          2HG       LYS  69   2.223   2.357 -10.436
  549   2HG   LYS  69          3HG       LYS  69   3.466   1.120 -10.634
  550   1HD   LYS  69          2HD       LYS  69   2.102   0.596 -12.391
  551   2HD   LYS  69          3HD       LYS  69   1.379  -0.410 -11.136
  552   1HE   LYS  69          2HE       LYS  69  -0.364   0.730 -12.339
  553   2HE   LYS  69          3HE       LYS  69  -0.268   1.381 -10.704
  554   1HZ   LYS  69          HZ1       LYS  69   1.407   2.895 -12.379
  555   2HZ   LYS  69          HZ2       LYS  69  -0.110   2.763 -13.126
  556   3HZ   LYS  69          HZ3       LYS  69   0.008   3.388 -11.557
  557    H    LEU  70           H        LEU  70   3.600  -2.258  -7.182
  558    HA   LEU  70           HA       LEU  70   6.284  -1.490  -7.837
  559   1HB   LEU  70          2HB       LEU  70   6.740  -2.480  -5.895
  560   2HB   LEU  70          3HB       LEU  70   5.039  -2.857  -5.734
  561    HG   LEU  70           HG       LEU  70   6.019  -4.902  -7.346
  562   1HD1  LEU  70          1HD1      LEU  70   8.308  -4.027  -6.683
  563   2HD1  LEU  70          2HD1      LEU  70   7.928  -4.566  -5.047
  564   3HD1  LEU  70          3HD1      LEU  70   7.993  -5.734  -6.367
  565   1HD2  LEU  70          1HD2      LEU  70   4.361  -4.938  -5.452
  566   2HD2  LEU  70          2HD2      LEU  70   5.477  -6.303  -5.508
  567   3HD2  LEU  70          3HD2      LEU  70   5.734  -4.996  -4.351
  568    H    GLU  71           H        GLU  71   4.023  -3.936  -8.745
  569    HA   GLU  71           HA       GLU  71   5.558  -5.872  -9.915
  570   1HB   GLU  71          2HB       GLU  71   3.036  -4.847 -11.217
  571   2HB   GLU  71          3HB       GLU  71   3.675  -6.484 -11.240
  572   1HG   GLU  71          2HG       GLU  71   2.643  -7.017  -9.348
  573   2HG   GLU  71          3HG       GLU  71   3.191  -5.550  -8.542
  574    HA   PRO  72           HA       PRO  72   6.041  -3.522 -14.057
  575   1HB   PRO  72          2HB       PRO  72   4.871  -0.882 -13.865
  576   2HB   PRO  72          3HB       PRO  72   4.476  -2.189 -14.982
  577   1HG   PRO  72          2HG       PRO  72   2.792  -1.333 -13.020
  578   2HG   PRO  72          3HG       PRO  72   2.791  -2.988 -13.652
  579   1HD   PRO  72          2HD       PRO  72   4.026  -1.917 -11.143
  580   2HD   PRO  72          3HD       PRO  72   3.133  -3.432 -11.403
  581    H    LEU  73           H        LEU  73   6.402  -1.809 -11.042
  582    HA   LEU  73           HA       LEU  73   8.291   0.091 -12.156
  583   1HB   LEU  73          2HB       LEU  73   6.648  -0.073  -9.807
  584   2HB   LEU  73          3HB       LEU  73   8.306   0.241  -9.322
  585    HG   LEU  73           HG       LEU  73   7.002   2.308  -9.593
  586   1HD1  LEU  73          1HD1      LEU  73   9.284   1.848 -11.491
  587   2HD1  LEU  73          2HD1      LEU  73   8.574   3.438 -11.215
  588   3HD1  LEU  73          3HD1      LEU  73   9.326   2.564  -9.880
  589   1HD2  LEU  73          1HD2      LEU  73   6.518   1.162 -12.295
  590   2HD2  LEU  73          2HD2      LEU  73   5.424   2.037 -11.226
  591   3HD2  LEU  73          3HD2      LEU  73   6.656   2.912 -12.135
  592    H    LEU  74           H        LEU  74   8.392  -2.885 -10.370
  593    HA   LEU  74           HA       LEU  74  11.003  -2.598  -9.316
  594   1HB   LEU  74          2HB       LEU  74  10.037  -4.256  -8.160
  595   2HB   LEU  74          3HB       LEU  74   8.929  -4.642  -9.460
  596    HG   LEU  74           HG       LEU  74  11.196  -5.715 -10.448
  597   1HD1  LEU  74          1HD1      LEU  74  12.506  -5.115  -8.479
  598   2HD1  LEU  74          2HD1      LEU  74  11.376  -5.997  -7.451
  599   3HD1  LEU  74          3HD1      LEU  74  12.356  -6.866  -8.633
  600   1HD2  LEU  74          1HD2      LEU  74   8.880  -6.684  -8.922
  601   2HD2  LEU  74          2HD2      LEU  74   9.520  -7.214 -10.477
  602   3HD2  LEU  74          3HD2      LEU  74  10.252  -7.791  -8.981
  603    H    ALA  75           H        ALA  75   9.749  -3.620 -12.368
  604    HA   ALA  75           HA       ALA  75  12.249  -4.684 -13.354
  605   1HB   ALA  75          1HB       ALA  75   9.519  -4.487 -14.303
  606   2HB   ALA  75          2HB       ALA  75  10.678  -4.037 -15.552
  607   3HB   ALA  75          3HB       ALA  75  10.797  -5.611 -14.768
  608    H    LYS  76           H        LYS  76  10.512  -1.657 -13.331
  609    HA   LYS  76           HA       LYS  76  11.914  -0.271 -15.313
  610   1HB   LYS  76          2HB       LYS  76  10.438   0.673 -12.863
  611   2HB   LYS  76          3HB       LYS  76  11.163   1.788 -14.010
  612   1HG   LYS  76          2HG       LYS  76   9.759   0.504 -15.766
  613   2HG   LYS  76          3HG       LYS  76   8.838  -0.046 -14.358
  614   1HD   LYS  76          2HD       LYS  76   7.853   1.943 -14.095
  615   2HD   LYS  76          3HD       LYS  76   9.369   2.817 -14.322
  616   1HE   LYS  76          2HE       LYS  76   8.969   2.068 -16.838
  617   2HE   LYS  76          3HE       LYS  76   7.288   2.057 -16.298
  618   1HZ   LYS  76          HZ1       LYS  76   8.053   4.388 -15.325
  619   2HZ   LYS  76          HZ2       LYS  76   9.120   4.301 -16.642
  620   3HZ   LYS  76          HZ3       LYS  76   7.444   4.218 -16.897
  621    H    SER  77           H        SER  77  12.736  -0.921 -11.968
  622    HA   SER  77           HA       SER  77  14.768   1.102 -11.873
  623   1HB   SER  77          2HB       SER  77  15.186  -0.749  -9.799
  624   2HB   SER  77          3HB       SER  77  14.342   0.795  -9.697
  625    HG   SER  77           HG       SER  77  12.412  -0.239 -10.076
  626    H    GLY  78           H        GLY  78  14.659  -2.412 -12.266
  627   1HA   GLY  78          1HA       GLY  78  16.233  -3.653 -13.527
  628   2HA   GLY  78          2HA       GLY  78  17.373  -2.322 -13.365
  629    H    LEU  79           H        LEU  79  15.493  -4.236 -11.040
  630    HA   LEU  79           HA       LEU  79  17.670  -4.293  -9.181
  631   1HB   LEU  79          2HB       LEU  79  14.865  -5.048  -9.240
  632   2HB   LEU  79          3HB       LEU  79  15.841  -6.240  -8.406
  633    HG   LEU  79           HG       LEU  79  15.714  -3.303  -7.727
  634   1HD1  LEU  79          1HD1      LEU  79  14.028  -5.528  -7.045
  635   2HD1  LEU  79          2HD1      LEU  79  14.825  -4.893  -5.604
  636   3HD1  LEU  79          3HD1      LEU  79  13.862  -3.822  -6.624
  637   1HD2  LEU  79          1HD2      LEU  79  17.327  -5.591  -6.680
  638   2HD2  LEU  79          2HD2      LEU  79  17.822  -3.932  -7.023
  639   3HD2  LEU  79          3HD2      LEU  79  16.844  -4.285  -5.598
  640    H    ASP  80           H        ASP  80  19.022  -6.044  -8.610
  641    HA   ASP  80           HA       ASP  80  18.899  -8.360 -10.403
  642   1HB   ASP  80          2HB       ASP  80  20.985  -7.552 -10.928
  643   2HB   ASP  80          3HB       ASP  80  21.144  -6.682  -9.409
  644    HA   PRO  81           HA       PRO  81  17.749 -10.528  -6.780
  645   1HB   PRO  81          2HB       PRO  81  18.845 -12.953  -8.058
  646   2HB   PRO  81          3HB       PRO  81  17.184 -12.587  -7.568
  647   1HG   PRO  81          2HG       PRO  81  17.889 -12.628 -10.144
  648   2HG   PRO  81          3HG       PRO  81  16.723 -11.441  -9.530
  649   1HD   PRO  81          2HD       PRO  81  19.630 -11.095 -10.165
  650   2HD   PRO  81          3HD       PRO  81  18.267 -10.010 -10.514
  651    H    GLU  82           H        GLU  82  20.980 -10.100  -7.515
  652    HA   GLU  82           HA       GLU  82  21.862 -11.830  -5.320
  653   1HB   GLU  82          2HB       GLU  82  23.336 -10.434  -7.541
  654   2HB   GLU  82          3HB       GLU  82  24.179 -11.080  -6.137
  655   1HG   GLU  82          2HG       GLU  82  22.595 -13.180  -6.931
  656   2HG   GLU  82          3HG       GLU  82  23.087 -12.446  -8.457
  657    H    LYS  83           H        LYS  83  20.844  -8.708  -5.855
  658    HA   LYS  83           HA       LYS  83  22.629  -7.437  -3.951
  659   1HB   LYS  83          2HB       LYS  83  20.058  -6.237  -4.950
  660   2HB   LYS  83          3HB       LYS  83  21.512  -5.415  -4.408
  661   1HG   LYS  83          2HG       LYS  83  21.974  -7.098  -6.730
  662   2HG   LYS  83          3HG       LYS  83  20.763  -5.847  -7.011
  663   1HD   LYS  83          2HD       LYS  83  22.309  -4.238  -7.048
  664   2HD   LYS  83          3HD       LYS  83  23.057  -4.827  -5.560
  665   1HE   LYS  83          2HE       LYS  83  23.610  -5.647  -8.396
  666   2HE   LYS  83          3HE       LYS  83  24.734  -5.016  -7.192
  667   1HZ   LYS  83          HZ1       LYS  83  24.314  -7.099  -5.909
  668   2HZ   LYS  83          HZ2       LYS  83  23.476  -7.704  -7.263
  669   3HZ   LYS  83          HZ3       LYS  83  25.125  -7.325  -7.384
  670    HA   PRO  84           HA       PRO  84  19.984  -8.728  -0.537
  671   1HB   PRO  84          2HB       PRO  84  21.789  -7.108   1.091
  672   2HB   PRO  84          3HB       PRO  84  21.520  -8.852   1.139
  673   1HG   PRO  84          2HG       PRO  84  23.831  -7.746   0.255
  674   2HG   PRO  84          3HG       PRO  84  23.201  -9.285  -0.362
  675   1HD   PRO  84          2HD       PRO  84  23.069  -6.553  -1.583
  676   2HD   PRO  84          3HD       PRO  84  23.377  -8.123  -2.359
  677    H    VAL  85           H        VAL  85  18.124  -7.565  -0.660
  678    HA   VAL  85           HA       VAL  85  18.336  -4.656  -0.332
  679    HB   VAL  85           HB       VAL  85  16.079  -4.615  -1.471
  680   1HG1  VAL  85          1HG1      VAL  85  18.242  -4.087  -2.575
  681   2HG1  VAL  85          2HG1      VAL  85  18.331  -5.769  -3.104
  682   3HG1  VAL  85          3HG1      VAL  85  17.022  -4.732  -3.674
  683   1HG2  VAL  85          1HG2      VAL  85  16.702  -7.515  -1.642
  684   2HG2  VAL  85          2HG2      VAL  85  15.152  -6.703  -1.415
  685   3HG2  VAL  85          3HG2      VAL  85  15.899  -6.748  -3.012
  686    H    VAL  86           H        VAL  86  16.703  -3.533   0.792
  687    HA   VAL  86           HA       VAL  86  15.183  -5.178   2.694
  688    HB   VAL  86           HB       VAL  86  16.882  -4.273   4.045
  689   1HG1  VAL  86          1HG1      VAL  86  16.527  -1.704   2.527
  690   2HG1  VAL  86          2HG1      VAL  86  17.465  -1.827   4.017
  691   3HG1  VAL  86          3HG1      VAL  86  17.948  -2.746   2.590
  692   1HG2  VAL  86          1HG2      VAL  86  14.298  -3.558   4.509
  693   2HG2  VAL  86          2HG2      VAL  86  15.629  -3.344   5.644
  694   3HG2  VAL  86          3HG2      VAL  86  15.126  -2.005   4.614
  695    H    VAL  87           H        VAL  87  13.104  -4.488   3.116
  696    HA   VAL  87           HA       VAL  87  12.094  -2.386   1.320
  697    HB   VAL  87           HB       VAL  87   9.845  -3.515   1.686
  698   1HG1  VAL  87          1HG1      VAL  87  11.627  -3.836  -0.251
  699   2HG1  VAL  87          2HG1      VAL  87  11.633  -5.487   0.372
  700   3HG1  VAL  87          3HG1      VAL  87  10.128  -4.766  -0.198
  701   1HG2  VAL  87          1HG2      VAL  87  11.438  -5.121   3.436
  702   2HG2  VAL  87          2HG2      VAL  87   9.695  -5.157   3.172
  703   3HG2  VAL  87          3HG2      VAL  87  10.762  -6.134   2.161
  704    H    PHE  88           H        PHE  88  11.316  -0.604   2.187
  705    HA   PHE  88           HA       PHE  88  11.226  -0.463   5.097
  706   1HB   PHE  88          2HB       PHE  88  12.651   1.056   3.598
  707   2HB   PHE  88          3HB       PHE  88  11.144   1.873   3.197
  708    HD1  PHE  88           HD1      PHE  88  12.174   0.483   6.478
  709    HD2  PHE  88           HD2      PHE  88  11.453   3.983   4.165
  710    HE1  PHE  88           HE1      PHE  88  12.355   1.857   8.502
  711    HE2  PHE  88           HE2      PHE  88  11.630   5.354   6.185
  712    HZ   PHE  88           HZ       PHE  88  12.082   4.293   8.356
  713    H    CYS  89           H        CYS  89   9.455  -0.255   6.229
  714    HA   CYS  89           HA       CYS  89   7.447   0.735   6.871
  715   1HB   CYS  89          2HB       CYS  89   7.356   1.457   4.086
  716   2HB   CYS  89          3HB       CYS  89   5.811   0.775   4.586
  717    H    LYS  90           H        LYS  90   6.988  -1.095   7.952
  718    HA   LYS  90           HA       LYS  90   5.908  -3.349   6.432
  719   1HB   LYS  90          2HB       LYS  90   6.517  -4.753   8.187
  720   2HB   LYS  90          3HB       LYS  90   7.813  -3.568   8.149
  721   1HG   LYS  90          2HG       LYS  90   7.147  -2.578  10.121
  722   2HG   LYS  90          3HG       LYS  90   5.487  -3.155   9.972
  723   1HD   LYS  90          2HD       LYS  90   6.937  -5.486  10.090
  724   2HD   LYS  90          3HD       LYS  90   7.813  -4.426  11.194
  725   1HE   LYS  90          2HE       LYS  90   5.107  -4.016  11.755
  726   2HE   LYS  90          3HE       LYS  90   5.281  -5.757  11.546
  727   1HZ   LYS  90          HZ1       LYS  90   7.254  -5.533  13.116
  728   2HZ   LYS  90          HZ2       LYS  90   6.647  -3.993  13.487
  729   3HZ   LYS  90          HZ3       LYS  90   5.707  -5.371  13.792
  730    H    THR  91           H        THR  91   5.003  -1.052   8.943
  731    HA   THR  91           HA       THR  91   2.595  -2.439   9.604
  732    HB   THR  91           HB       THR  91   2.667   0.380  10.360
  733    HG1  THR  91           HG1      THR  91   4.631   0.460  11.165
  734   1HG2  THR  91          1HG2      THR  91   1.778  -2.102  11.373
  735   2HG2  THR  91          2HG2      THR  91   2.957  -1.470  12.524
  736   3HG2  THR  91          3HG2      THR  91   1.554  -0.500  12.076
  737    H    ALA  92           H        ALA  92   2.770   0.972   8.601
  738    HA   ALA  92           HA       ALA  92   0.144   1.072   7.703
  739   1HB   ALA  92          1HB       ALA  92   1.876   2.960   8.214
  740   2HB   ALA  92          2HB       ALA  92   2.180   2.873   6.479
  741   3HB   ALA  92          3HB       ALA  92   0.561   3.242   7.073
  742    H    ALA  93           H        ALA  93   3.080   0.936   5.695
  743    HA   ALA  93           HA       ALA  93   1.597   0.585   3.285
  744   1HB   ALA  93          1HB       ALA  93   3.738   1.743   3.322
  745   2HB   ALA  93          2HB       ALA  93   4.545   0.246   3.785
  746   3HB   ALA  93          3HB       ALA  93   3.764   0.376   2.209
  747    H    ARG  94           H        ARG  94   3.698  -1.565   5.167
  748    HA   ARG  94           HA       ARG  94   3.790  -3.828   5.381
  749   1HB   ARG  94          2HB       ARG  94   1.206  -3.653   5.044
  750   2HB   ARG  94          3HB       ARG  94   1.556  -4.254   3.431
  751   1HG   ARG  94          2HG       ARG  94   1.827  -6.334   4.163
  752   2HG   ARG  94          3HG       ARG  94   2.882  -5.816   5.481
  753   1HD   ARG  94          2HD       ARG  94   1.237  -6.191   6.920
  754   2HD   ARG  94          3HD       ARG  94   0.276  -4.950   6.120
  755    HE   ARG  94           HE       ARG  94  -0.115  -7.765   5.994
  756   1HH1  ARG  94          1HH1      ARG  94  -0.432  -4.843   4.096
  757   2HH1  ARG  94          2HH1      ARG  94  -1.769  -5.433   3.171
  758   1HH2  ARG  94          1HH2      ARG  94  -1.876  -8.556   4.763
  759   2HH2  ARG  94          2HH2      ARG  94  -2.587  -7.554   3.542
  760    H    ALA  95           H        ALA  95   5.729  -3.183   4.165
  761    HA   ALA  95           HA       ALA  95   5.945  -3.523   1.369
  762   1HB   ALA  95          1HB       ALA  95   7.491  -2.167   2.690
  763   2HB   ALA  95          2HB       ALA  95   8.103  -3.627   3.468
  764   3HB   ALA  95          3HB       ALA  95   8.338  -3.384   1.737
  765    H    ALA  96           H        ALA  96   5.402  -5.859   3.634
  766    HA   ALA  96           HA       ALA  96   7.194  -7.893   3.132
  767   1HB   ALA  96          1HB       ALA  96   5.457  -7.838   4.921
  768   2HB   ALA  96          2HB       ALA  96   4.265  -8.285   3.700
  769   3HB   ALA  96          3HB       ALA  96   5.591  -9.382   4.081
  770    H    LEU  97           H        LEU  97   4.497  -6.841   1.142
  771    HA   LEU  97           HA       LEU  97   4.412  -9.210  -0.456
  772   1HB   LEU  97          2HB       LEU  97   3.135  -6.560  -0.534
  773   2HB   LEU  97          3HB       LEU  97   3.408  -7.287  -2.113
  774    HG   LEU  97           HG       LEU  97   1.160  -7.766  -1.220
  775   1HD1  LEU  97          1HD1      LEU  97   3.014 -10.116  -1.557
  776   2HD1  LEU  97          2HD1      LEU  97   1.255 -10.230  -1.552
  777   3HD1  LEU  97          3HD1      LEU  97   2.074  -9.301  -2.808
  778   1HD2  LEU  97          1HD2      LEU  97   2.671  -8.445   1.141
  779   2HD2  LEU  97          2HD2      LEU  97   0.934  -8.201   0.951
  780   3HD2  LEU  97          3HD2      LEU  97   1.642  -9.788   0.644
  781    H    ALA  98           H        ALA  98   6.188  -6.184  -0.614
  782    HA   ALA  98           HA       ALA  98   7.186  -6.632  -3.250
  783   1HB   ALA  98          1HB       ALA  98   6.996  -4.385  -2.239
  784   2HB   ALA  98          2HB       ALA  98   8.280  -4.812  -1.107
  785   3HB   ALA  98          3HB       ALA  98   8.620  -4.732  -2.836
  786    H    GLY  99           H        GLY  99   8.412  -7.179   0.014
  787   1HA   GLY  99          1HA       GLY  99  10.988  -8.018  -0.926
  788   2HA   GLY  99          2HA       GLY  99  10.418  -8.067   0.734
  789    H    LYS 100           H        LYS 100   8.356  -9.772   0.733
  790    HA   LYS 100           HA       LYS 100   9.696 -12.197   0.803
  791   1HB   LYS 100          2HB       LYS 100   7.856 -13.003   1.851
  792   2HB   LYS 100          3HB       LYS 100   7.413 -11.302   1.895
  793   1HG   LYS 100          2HG       LYS 100   5.643 -11.623   0.587
  794   2HG   LYS 100          3HG       LYS 100   6.544 -12.639  -0.540
  795   1HD   LYS 100          2HD       LYS 100   6.143 -13.995   1.975
  796   2HD   LYS 100          3HD       LYS 100   4.603 -13.459   1.298
  797   1HE   LYS 100          2HE       LYS 100   4.674 -14.991  -0.318
  798   2HE   LYS 100          3HE       LYS 100   6.347 -14.606  -0.714
  799   1HZ   LYS 100          HZ1       LYS 100   6.998 -15.966   1.253
  800   2HZ   LYS 100          HZ2       LYS 100   5.381 -16.459   1.393
  801   3HZ   LYS 100          HZ3       LYS 100   6.271 -16.850   0.000
  802    H    THR 101           H        THR 101   7.715 -10.860  -1.758
  803    HA   THR 101           HA       THR 101   7.506 -13.279  -3.247
  804    HB   THR 101           HB       THR 101   7.333 -10.514  -4.438
  805    HG1  THR 101           HG1      THR 101   5.786 -10.158  -3.036
  806   1HG2  THR 101          1HG2      THR 101   7.111 -12.828  -5.704
  807   2HG2  THR 101          2HG2      THR 101   5.475 -12.763  -5.047
  808   3HG2  THR 101          3HG2      THR 101   6.059 -11.464  -6.089
  809    H    LEU 102           H        LEU 102   9.784 -10.594  -3.182
  810    HA   LEU 102           HA       LEU 102  11.172 -11.317  -5.545
  811   1HB   LEU 102          2HB       LEU 102  11.753  -9.518  -3.230
  812   2HB   LEU 102          3HB       LEU 102  13.016  -9.875  -4.393
  813    HG   LEU 102           HG       LEU 102  10.382  -8.507  -4.929
  814   1HD1  LEU 102          1HD1      LEU 102  12.437  -7.314  -3.901
  815   2HD1  LEU 102          2HD1      LEU 102  13.109  -7.443  -5.527
  816   3HD1  LEU 102          3HD1      LEU 102  11.598  -6.571  -5.262
  817   1HD2  LEU 102          1HD2      LEU 102  10.953 -10.050  -6.763
  818   2HD2  LEU 102          2HD2      LEU 102  11.057  -8.359  -7.251
  819   3HD2  LEU 102          3HD2      LEU 102  12.528  -9.269  -6.909
  820    H    ARG 103           H        ARG 103  11.785 -11.968  -2.103
  821    HA   ARG 103           HA       ARG 103  14.257 -13.261  -2.503
  822   1HB   ARG 103          2HB       ARG 103  14.053 -14.075  -0.246
  823   2HB   ARG 103          3HB       ARG 103  13.463 -12.422  -0.308
  824   1HG   ARG 103          2HG       ARG 103  11.523 -13.040   0.552
  825   2HG   ARG 103          3HG       ARG 103  11.283 -14.217  -0.741
  826   1HD   ARG 103          2HD       ARG 103  13.070 -14.798   1.595
  827   2HD   ARG 103          3HD       ARG 103  11.330 -15.062   1.685
  828    HE   ARG 103           HE       ARG 103  12.841 -16.318  -0.491
  829   1HH1  ARG 103          1HH1      ARG 103  11.046 -16.627   2.496
  830   2HH1  ARG 103          2HH1      ARG 103  10.803 -18.337   2.320
  831   1HH2  ARG 103          1HH2      ARG 103  12.514 -18.564  -0.735
  832   2HH2  ARG 103          2HH2      ARG 103  11.633 -19.433   0.489
  833    H    GLU 104           H        GLU 104  10.971 -14.366  -2.722
  834    HA   GLU 104           HA       GLU 104  11.625 -17.163  -2.888
  835   1HB   GLU 104          2HB       GLU 104   9.226 -15.562  -2.712
  836   2HB   GLU 104          3HB       GLU 104   9.076 -16.770  -3.985
  837   1HG   GLU 104          2HG       GLU 104   9.957 -18.415  -2.212
  838   2HG   GLU 104          3HG       GLU 104   9.512 -17.163  -1.054
  839    H    TYR 105           H        TYR 105  12.075 -14.644  -4.943
  840    HA   TYR 105           HA       TYR 105  11.671 -16.299  -7.338
  841   1HB   TYR 105          HB2       TYR 105  11.889 -13.319  -6.991
  842   2HB   TYR 105          HB3       TYR 105  12.108 -14.085  -8.562
  843    HD1  TYR 105           HD1      TYR 105   9.927 -16.285  -7.454
  844    HD2  TYR 105           HD2      TYR 105  10.007 -12.095  -8.185
  845    HE1  TYR 105           HE1      TYR 105   7.490 -16.301  -7.770
  846    HE2  TYR 105           HE2      TYR 105   7.572 -12.106  -8.497
  847    HH   TYR 105           HH       TYR 105   5.810 -14.233  -9.258
  848    H    GLY 106           H        GLY 106  14.035 -15.283  -5.184
  849   1HA   GLY 106          1HA       GLY 106  16.083 -16.670  -5.746
  850   2HA   GLY 106          2HA       GLY 106  16.125 -15.725  -7.222
  851    H    PHE 107           H        PHE 107  15.113 -13.665  -4.840
  852    HA   PHE 107           HA       PHE 107  17.571 -12.254  -4.819
  853   1HB   PHE 107          2HB       PHE 107  14.910 -11.916  -3.542
  854   2HB   PHE 107          3HB       PHE 107  16.271 -11.082  -2.793
  855    HD1  PHE 107           HD1      PHE 107  14.680 -11.605  -6.122
  856    HD2  PHE 107           HD2      PHE 107  16.880  -9.003  -3.573
  857    HE1  PHE 107           HE1      PHE 107  14.508  -9.813  -7.803
  858    HE2  PHE 107           HE2      PHE 107  16.711  -7.211  -5.247
  859    HZ   PHE 107           HZ       PHE 107  15.527  -7.615  -7.368
  860    H    LYS 108           H        LYS 108  19.181 -12.183  -3.373
  861    HA   LYS 108           HA       LYS 108  19.641 -14.462  -1.811
  862   1HB   LYS 108          2HB       LYS 108  21.102 -12.141  -2.656
  863   2HB   LYS 108          3HB       LYS 108  21.405 -12.426  -0.947
  864   1HG   LYS 108          2HG       LYS 108  22.889 -13.956  -1.518
  865   2HG   LYS 108          3HG       LYS 108  21.574 -14.932  -2.179
  866   1HD   LYS 108          2HD       LYS 108  22.303 -12.826  -4.006
  867   2HD   LYS 108          3HD       LYS 108  23.712 -13.798  -3.577
  868   1HE   LYS 108          2HE       LYS 108  21.437 -15.486  -4.056
  869   2HE   LYS 108          3HE       LYS 108  21.709 -14.417  -5.431
  870   1HZ   LYS 108          HZ1       LYS 108  24.020 -15.159  -5.495
  871   2HZ   LYS 108          HZ2       LYS 108  23.728 -16.212  -4.194
  872   3HZ   LYS 108          HZ3       LYS 108  22.946 -16.464  -5.675
  873    H    THR 109           H        THR 109  19.995 -11.238  -0.430
  874    HA   THR 109           HA       THR 109  18.697 -12.228   2.010
  875    HB   THR 109           HB       THR 109  20.309  -9.810   2.280
  876    HG1  THR 109           HG1      THR 109  22.315 -11.103   2.059
  877   1HG2  THR 109          1HG2      THR 109  19.828 -12.368   3.679
  878   2HG2  THR 109          2HG2      THR 109  21.419 -11.645   3.918
  879   3HG2  THR 109          3HG2      THR 109  19.965 -10.731   4.326
  880    H    ILE 110           H        ILE 110  16.710 -11.446   2.251
  881    HA   ILE 110           HA       ILE 110  16.233  -8.674   1.415
  882    HB   ILE 110           HB       ILE 110  15.024 -10.621   0.186
  883   1HG1  ILE 110          2HG1      ILE 110  12.925  -8.743   0.914
  884   2HG1  ILE 110          3HG1      ILE 110  14.462  -7.942   0.601
  885   1HG2  ILE 110          1HG2      ILE 110  14.237 -11.690   2.313
  886   2HG2  ILE 110          2HG2      ILE 110  13.124 -10.335   2.501
  887   3HG2  ILE 110          3HG2      ILE 110  12.983 -11.406   1.107
  888   1HD1  ILE 110          1HD1      ILE 110  13.080  -9.852  -1.268
  889   2HD1  ILE 110          2HD1      ILE 110  13.078  -8.094  -1.401
  890   3HD1  ILE 110          3HD1      ILE 110  14.586  -8.990  -1.580
  891    H    TYR 111           H        TYR 111  15.648  -7.279   2.913
  892    HA   TYR 111           HA       TYR 111  14.993  -8.324   5.591
  893   1HB   TYR 111          HB2       TYR 111  16.085  -5.575   4.970
  894   2HB   TYR 111          HB3       TYR 111  16.029  -6.389   6.526
  895    HD1  TYR 111           HD1      TYR 111  17.740  -6.313   3.238
  896    HD2  TYR 111           HD2      TYR 111  17.786  -7.833   7.222
  897    HE1  TYR 111           HE1      TYR 111  20.047  -7.102   2.910
  898    HE2  TYR 111           HE2      TYR 111  20.089  -8.622   6.897
  899    HH   TYR 111           HH       TYR 111  21.687  -9.049   5.353
  900    H    ASN 112           H        ASN 112  13.308  -7.408   6.748
  901    HA   ASN 112           HA       ASN 112  11.616  -5.489   5.276
  902   1HB   ASN 112          2HB       ASN 112  10.688  -7.867   5.897
  903   2HB   ASN 112          3HB       ASN 112  10.551  -7.187   7.515
  904   1HD2  ASN 112          1HD2      ASN 112   8.632  -8.003   5.260
  905   2HD2  ASN 112          2HD2      ASN 112   7.528  -6.668   5.191
  906    H    SER 113           H        SER 113  11.143  -3.611   6.305
  907    HA   SER 113           HA       SER 113  12.826  -3.057   8.584
  908   1HB   SER 113          2HB       SER 113  11.135  -1.153   6.965
  909   2HB   SER 113          3HB       SER 113  12.441  -0.728   8.073
  910    HG   SER 113           HG       SER 113  12.636  -2.146   5.623
  911    H    GLU 114           H        GLU 114  12.168  -3.147  10.560
  912    HA   GLU 114           HA       GLU 114   9.544  -3.431  11.475
  913   1HB   GLU 114          2HB       GLU 114  11.880  -2.255  12.993
  914   2HB   GLU 114          3HB       GLU 114  10.428  -2.956  13.692
  915   1HG   GLU 114          2HG       GLU 114  11.130  -5.092  12.423
  916   2HG   GLU 114          3HG       GLU 114  12.712  -4.315  12.332
  917    H    GLY 115           H        GLY 115   7.914  -2.029  11.552
  918   1HA   GLY 115          1HA       GLY 115   6.826  -0.024  12.044
  919   2HA   GLY 115          2HA       GLY 115   8.390   0.772  12.165
  920    H    GLY 116           H        GLY 116   9.038   1.994  10.511
  921   1HA   GLY 116          1HA       GLY 116   8.912   1.600   7.856
  922   2HA   GLY 116          2HA       GLY 116   7.305   2.225   8.208
  923    H    MET 117           H        MET 117   7.755   4.041   6.902
  924    HA   MET 117           HA       MET 117   9.896   5.751   7.002
  925   1HB   MET 117          2HB       MET 117   7.933   5.806   5.418
  926   2HB   MET 117          3HB       MET 117   7.041   6.669   6.662
  927   1HG   MET 117          2HG       MET 117   8.899   8.385   6.613
  928   2HG   MET 117          3HG       MET 117   9.471   7.579   5.152
  929   1HE   MET 117          1HE       MET 117   6.266   8.870   6.852
  930   2HE   MET 117          2HE       MET 117   5.269   9.432   5.510
  931   3HE   MET 117          3HE       MET 117   5.517   7.703   5.759
  932    H    ASP 118           H        ASP 118   7.190   5.587   9.216
  933    HA   ASP 118           HA       ASP 118   7.497   8.010  10.568
  934   1HB   ASP 118          2HB       ASP 118   5.609   6.321  10.793
  935   2HB   ASP 118          3HB       ASP 118   6.669   5.413  11.866
  936    H    LYS 119           H        LYS 119   9.089   4.879  11.042
  937    HA   LYS 119           HA       LYS 119  10.497   5.665  13.389
  938   1HB   LYS 119          2HB       LYS 119  10.249   3.292  11.712
  939   2HB   LYS 119          3HB       LYS 119  11.887   3.536  12.305
  940   1HG   LYS 119          2HG       LYS 119  10.629   2.118  13.809
  941   2HG   LYS 119          3HG       LYS 119  11.045   3.644  14.593
  942   1HD   LYS 119          2HD       LYS 119   8.882   4.360  14.659
  943   2HD   LYS 119          3HD       LYS 119   8.437   3.500  13.182
  944   1HE   LYS 119          2HE       LYS 119   7.760   1.699  14.319
  945   2HE   LYS 119          3HE       LYS 119   9.182   1.719  15.362
  946   1HZ   LYS 119          HZ1       LYS 119   6.797   3.462  15.693
  947   2HZ   LYS 119          HZ2       LYS 119   7.115   2.062  16.597
  948   3HZ   LYS 119          HZ3       LYS 119   8.145   3.404  16.722
  949    H    TRP 120           H        TRP 120  11.166   5.760   9.957
  950    HA   TRP 120           HA       TRP 120  13.950   6.125  10.058
  951   1HB   TRP 120          HB2       TRP 120  12.351   5.778   8.023
  952   2HB   TRP 120          HB3       TRP 120  12.234   7.534   8.035
  953    HD1  TRP 120           HD1      TRP 120  14.193   8.878   7.038
  954    HE1  TRP 120           HE1      TRP 120  16.397   8.274   5.864
  955    HE3  TRP 120           HE3      TRP 120  14.261   3.848   7.972
  956    HZ2  TRP 120           HZ2      TRP 120  17.938   5.976   5.367
  957    HZ3  TRP 120           HZ3      TRP 120  16.139   2.518   7.094
  958    HH2  TRP 120           HH2      TRP 120  17.936   3.564   5.817
  959    H    LEU 121           H        LEU 121  11.329   8.554   9.887
  960    HA   LEU 121           HA       LEU 121  13.005  10.785  10.295
  961   1HB   LEU 121          2HB       LEU 121  10.115  10.223  10.235
  962   2HB   LEU 121          3HB       LEU 121  10.572  11.586  11.235
  963    HG   LEU 121           HG       LEU 121  11.082  11.264   8.273
  964   1HD1  LEU 121          1HD1      LEU 121   9.135  12.738   9.941
  965   2HD1  LEU 121          2HD1      LEU 121   9.789  13.578   8.536
  966   3HD1  LEU 121          3HD1      LEU 121   8.956  12.038   8.333
  967   1HD2  LEU 121          1HD2      LEU 121  12.841  12.456   9.904
  968   2HD2  LEU 121          2HD2      LEU 121  12.490  13.040   8.278
  969   3HD2  LEU 121          3HD2      LEU 121  11.716  13.793   9.672
  970    H    GLU 122           H        GLU 122  11.188   8.691  12.485
  971    HA   GLU 122           HA       GLU 122  11.464  10.251  14.807
  972   1HB   GLU 122          2HB       GLU 122  10.279   7.796  14.095
  973   2HB   GLU 122          3HB       GLU 122  11.347   7.455  15.449
  974   1HG   GLU 122          2HG       GLU 122  10.005   9.794  16.149
  975   2HG   GLU 122          3HG       GLU 122   8.785   8.755  15.413
  976    H    GLU 123           H        GLU 123  13.422   7.538  13.611
  977    HA   GLU 123           HA       GLU 123  15.121   7.583  15.932
  978   1HB   GLU 123          2HB       GLU 123  14.806   5.900  13.541
  979   2HB   GLU 123          3HB       GLU 123  16.454   6.014  14.141
  980   1HG   GLU 123          2HG       GLU 123  14.066   5.200  15.783
  981   2HG   GLU 123          3HG       GLU 123  15.233   4.095  15.058
  982    H    GLY 124           H        GLY 124  14.981   9.938  14.023
  983   1HA   GLY 124          1HA       GLY 124  16.423  11.611  13.423
  984   2HA   GLY 124          2HA       GLY 124  17.632  10.782  14.390
  985    H    LEU 125           H        LEU 125  16.142   9.136  11.728
  986    HA   LEU 125           HA       LEU 125  18.723   8.891  10.466
  987   1HB   LEU 125          2HB       LEU 125  16.021   7.687   9.956
  988   2HB   LEU 125          3HB       LEU 125  17.331   7.489   8.809
  989    HG   LEU 125           HG       LEU 125  17.228   6.497  11.656
  990   1HD1  LEU 125          1HD1      LEU 125  16.599   5.369   9.113
  991   2HD1  LEU 125          2HD1      LEU 125  17.992   4.528   9.794
  992   3HD1  LEU 125          3HD1      LEU 125  16.491   4.634  10.713
  993   1HD2  LEU 125          1HD2      LEU 125  19.472   7.502  10.835
  994   2HD2  LEU 125          2HD2      LEU 125  19.468   5.898  11.570
  995   3HD2  LEU 125          3HD2      LEU 125  19.550   6.064   9.816
  996    HA   PRO 126           HA       PRO 126  18.423  12.063   7.513
  997   1HB   PRO 126          2HB       PRO 126  19.585  10.913   5.320
  998   2HB   PRO 126          3HB       PRO 126  20.487  11.494   6.724
  999   1HG   PRO 126          2HG       PRO 126  19.596   8.709   6.067
 1000   2HG   PRO 126          3HG       PRO 126  21.166   9.266   6.684
 1001   1HD   PRO 126          2HD       PRO 126  19.343   8.163   8.306
 1002   2HD   PRO 126          3HD       PRO 126  20.364   9.514   8.849
 1003    H    SER 127           H        SER 127  16.609  12.718   6.656
 1004    HA   SER 127           HA       SER 127  15.341  11.060   4.582
 1005   1HB   SER 127          2HB       SER 127  13.726  13.021   6.171
 1006   2HB   SER 127          3HB       SER 127  13.206  11.545   5.356
 1007    HG   SER 127           HG       SER 127  15.017  11.259   7.450
 1008    H    LEU 128           H        LEU 128  14.507  12.212   2.797
 1009    HA   LEU 128           HA       LEU 128  15.817  14.807   2.422
 1010   1HB   LEU 128          2HB       LEU 128  15.448  12.483   0.788
 1011   2HB   LEU 128          3HB       LEU 128  14.711  13.864  -0.002
 1012    HG   LEU 128           HG       LEU 128  17.457  14.232   1.060
 1013   1HD1  LEU 128          1HD1      LEU 128  16.771  12.489  -1.287
 1014   2HD1  LEU 128          2HD1      LEU 128  18.338  13.279  -1.105
 1015   3HD1  LEU 128          3HD1      LEU 128  17.794  12.110   0.099
 1016   1HD2  LEU 128          1HD2      LEU 128  15.887  15.143  -1.336
 1017   2HD2  LEU 128          2HD2      LEU 128  16.502  16.109   0.005
 1018   3HD2  LEU 128          3HD2      LEU 128  17.621  15.423  -1.172
 1019    H    ASP 129           H        ASP 129  14.673  16.591   2.357
 1020    HA   ASP 129           HA       ASP 129  11.821  16.466   1.657
 1021   1HB   ASP 129          2HB       ASP 129  12.078  16.693   4.103
 1022   2HB   ASP 129          3HB       ASP 129  13.068  18.124   3.860
 1023    H    ARG 130           H        ARG 130  11.004  18.356   0.609
 1024    HA   ARG 130           HA       ARG 130  12.985  19.701  -0.995
 1025   1HB   ARG 130          2HB       ARG 130   9.989  20.112  -0.906
 1026   2HB   ARG 130          3HB       ARG 130  11.082  20.673  -2.164
 1027   1HG   ARG 130          2HG       ARG 130  10.937  18.745  -3.243
 1028   2HG   ARG 130          3HG       ARG 130  11.343  17.833  -1.788
 1029   1HD   ARG 130          2HD       ARG 130   9.237  17.158  -1.589
 1030   2HD   ARG 130          3HD       ARG 130   8.687  18.831  -1.530
 1031    HE   ARG 130           HE       ARG 130   9.222  17.710  -4.174
 1032   1HH1  ARG 130          1HH1      ARG 130   6.860  18.603  -1.731
 1033   2HH1  ARG 130          2HH1      ARG 130   5.512  18.563  -2.839
 1034   1HH2  ARG 130          1HH2      ARG 130   7.455  17.646  -5.627
 1035   2HH2  ARG 130          2HH2      ARG 130   5.852  18.024  -5.059
 1036    H    SER 131           H        SER 131  10.966  20.417   1.749
 1037    HA   SER 131           HA       SER 131  11.217  23.244   1.693
 1038   1HB   SER 131          2HB       SER 131  10.964  22.040   4.352
 1039   2HB   SER 131          3HB       SER 131   9.877  23.147   3.510
 1040    HG   SER 131           HG       SER 131   9.901  20.351   3.574
 1041    H    HIS 132           H        HIS 132  12.583  24.590   2.925
 1042    HA   HIS 132           HA       HIS 132  14.571  25.302   3.762
 1043   1HB   HIS 132          2HB       HIS 132  13.993  23.463   5.520
 1044   2HB   HIS 132          3HB       HIS 132  15.249  22.529   4.710
 1045    HD1  HIS 132           HD1      HIS 132  16.337  22.756   7.208
 1046    HD2  HIS 132           HD2      HIS 132  16.272  26.169   4.828
 1047    HE1  HIS 132           HE1      HIS 132  18.045  24.318   8.204
 1048    HE2  HIS 132           HE2      HIS 132  18.180  26.231   6.568
 1049    H    HIS 133           H        HIS 133  14.212  23.972   1.118
 1050    HA   HIS 133           HA       HIS 133  17.057  23.753   0.460
 1051   1HB   HIS 133          2HB       HIS 133  15.095  21.603   0.315
 1052   2HB   HIS 133          3HB       HIS 133  15.826  21.933  -1.251
 1053    HD1  HIS 133           HD1      HIS 133  18.723  22.433  -0.546
 1054    HD2  HIS 133           HD2      HIS 133  16.429  19.467   1.262
 1055    HE1  HIS 133           HE1      HIS 133  20.366  20.729   0.308
 1056    HE2  HIS 133           HE2      HIS 133  18.963  18.974   1.456
 1057    H    HIS 134           H        HIS 134  14.699  25.653   0.135
 1058    HA   HIS 134           HA       HIS 134  15.053  26.075  -2.750
 1059   1HB   HIS 134          2HB       HIS 134  12.802  24.986  -2.111
 1060   2HB   HIS 134          3HB       HIS 134  12.393  26.550  -1.416
 1061    HD1  HIS 134           HD1      HIS 134  10.447  26.511  -3.277
 1062    HD2  HIS 134           HD2      HIS 134  14.342  26.893  -4.691
 1063    HE1  HIS 134           HE1      HIS 134  10.234  27.346  -5.640
 1064    HE2  HIS 134           HE2      HIS 134  12.603  27.680  -6.438
 1065    H    HIS 135           H        HIS 135  16.412  27.309  -0.586
 1066    HA   HIS 135           HA       HIS 135  15.237  29.977  -0.405
 1067   1HB   HIS 135          2HB       HIS 135  16.615  28.571   1.446
 1068   2HB   HIS 135          3HB       HIS 135  17.934  29.483   0.718
 1069    HD1  HIS 135           HD1      HIS 135  18.164  30.768   3.005
 1070    HD2  HIS 135           HD2      HIS 135  14.565  31.361   0.998
 1071    HE1  HIS 135           HE1      HIS 135  17.112  32.793   4.071
 1072    HE2  HIS 135           HE2      HIS 135  14.946  33.150   2.836
 1073    H    HIS 136           H        HIS 136  15.543  29.776  -2.871
 1074    HA   HIS 136           HA       HIS 136  17.415  31.700  -3.661
 1075   1HB   HIS 136          2HB       HIS 136  19.090  30.542  -4.798
 1076   2HB   HIS 136          3HB       HIS 136  18.871  29.544  -3.368
 1077    HD1  HIS 136           HD1      HIS 136  19.026  29.360  -6.967
 1078    HD2  HIS 136           HD2      HIS 136  17.149  27.191  -3.954
 1079    HE1  HIS 136           HE1      HIS 136  18.401  27.155  -8.004
 1080    HE2  HIS 136           HE2      HIS 136  17.446  25.789  -6.112
 1081    H    HIS 137           H        HIS 137  17.334  32.021  -6.082
 1082    HA   HIS 137           HA       HIS 137  14.675  31.271  -7.045
 1083   1HB   HIS 137          2HB       HIS 137  15.395  33.675  -7.122
 1084   2HB   HIS 137          3HB       HIS 137  16.634  33.217  -8.283
 1085    HD1  HIS 137           HD1      HIS 137  15.788  34.331 -10.364
 1086    HD2  HIS 137           HD2      HIS 137  12.853  32.089  -8.449
 1087    HE1  HIS 137           HE1      HIS 137  13.819  34.300 -11.933
 1088    HE2  HIS 137           HE2      HIS 137  12.120  32.799 -10.824
 1089   1H    ALA   1           H1       ALA   1  24.286  -8.747 -18.422
 1090   2H    ALA   1           H2       ALA   1  24.027  -8.943 -16.759
 1091   3H    ALA   1           H3       ALA   1  23.456 -10.111 -17.849
 1092    HA   ALA   1           HA       ALA   1  22.553  -7.345 -18.135
 1093   1HB   ALA   1          1HB       ALA   1  21.921  -9.887 -19.257
 1094   2HB   ALA   1          2HB       ALA   1  20.492  -9.259 -18.432
 1095   3HB   ALA   1          3HB       ALA   1  21.283  -8.297 -19.682
 1096    H    ASP   2           H        ASP   2  20.369  -6.909 -17.180
 1097    HA   ASP   2           HA       ASP   2  20.404  -7.616 -14.350
 1098   1HB   ASP   2          2HB       ASP   2  19.213  -5.700 -13.954
 1099   2HB   ASP   2          3HB       ASP   2  19.965  -5.235 -15.475
 1100    H    MET   3           H        MET   3  18.297  -8.191 -13.311
 1101    HA   MET   3           HA       MET   3  16.925 -10.130 -15.045
 1102   1HB   MET   3          2HB       MET   3  18.145 -10.350 -12.481
 1103   2HB   MET   3          3HB       MET   3  16.425 -10.660 -12.297
 1104   1HG   MET   3          2HG       MET   3  17.135 -12.088 -14.556
 1105   2HG   MET   3          3HG       MET   3  18.491 -12.309 -13.454
 1106   1HE   MET   3          1HE       MET   3  18.238 -14.660 -13.436
 1107   2HE   MET   3          2HE       MET   3  17.022 -15.594 -12.564
 1108   3HE   MET   3          3HE       MET   3  16.691 -15.022 -14.199
 1109    H    GLY   4           H        GLY   4  16.345  -7.168 -14.128
 1110   1HA   GLY   4          1HA       GLY   4  13.989  -7.090 -12.660
 1111   2HA   GLY   4          2HA       GLY   4  14.461  -5.895 -13.858
 1112    H    GLU   5           H        GLU   5  14.433  -7.721 -16.075
 1113    HA   GLU   5           HA       GLU   5  11.618  -7.634 -16.672
 1114   1HB   GLU   5          2HB       GLU   5  13.687  -7.299 -18.256
 1115   2HB   GLU   5          3HB       GLU   5  13.601  -9.048 -18.411
 1116   1HG   GLU   5          2HG       GLU   5  11.007  -7.815 -18.742
 1117   2HG   GLU   5          3HG       GLU   5  12.188  -7.173 -19.880
 1118    H    LYS   6           H        LYS   6  13.959 -10.090 -15.817
 1119    HA   LYS   6           HA       LYS   6  12.474 -12.310 -16.653
 1120   1HB   LYS   6          2HB       LYS   6  14.944 -11.820 -15.222
 1121   2HB   LYS   6          3HB       LYS   6  14.095 -13.227 -14.596
 1122   1HG   LYS   6          2HG       LYS   6  14.644 -12.820 -17.521
 1123   2HG   LYS   6          3HG       LYS   6  15.748 -13.663 -16.439
 1124   1HD   LYS   6          2HD       LYS   6  14.350 -15.458 -16.181
 1125   2HD   LYS   6          3HD       LYS   6  12.897 -14.502 -16.473
 1126   1HE   LYS   6          2HE       LYS   6  13.992 -14.271 -18.874
 1127   2HE   LYS   6          3HE       LYS   6  14.755 -15.785 -18.398
 1128   1HZ   LYS   6          HZ1       LYS   6  11.822 -15.302 -18.348
 1129   2HZ   LYS   6          HZ2       LYS   6  12.641 -16.089 -19.608
 1130   3HZ   LYS   6          HZ3       LYS   6  12.614 -16.774 -18.055
 1131    H    PHE   7           H        PHE   7  12.936 -11.113 -13.279
 1132    HA   PHE   7           HA       PHE   7  11.004 -13.007 -12.353
 1133   1HB   PHE   7          2HB       PHE   7  11.145 -11.663 -10.172
 1134   2HB   PHE   7          3HB       PHE   7  12.579 -12.520 -10.712
 1135    HD1  PHE   7           HD1      PHE   7  11.061  -9.151 -11.288
 1136    HD2  PHE   7           HD2      PHE   7  14.530 -11.413 -10.319
 1137    HE1  PHE   7           HE1      PHE   7  12.349  -7.072 -11.059
 1138    HE2  PHE   7           HE2      PHE   7  15.824  -9.333 -10.081
 1139    HZ   PHE   7           HZ       PHE   7  14.727  -7.158 -10.454
 1140    H    ASP   8           H        ASP   8  10.854  -9.850 -13.585
 1141    HA   ASP   8           HA       ASP   8   8.537  -8.794 -12.473
 1142   1HB   ASP   8          2HB       ASP   8   9.590  -7.312 -13.932
 1143   2HB   ASP   8          3HB       ASP   8   9.769  -8.525 -15.196
 1144    H    ALA   9           H        ALA   9   8.808 -10.917 -15.321
 1145    HA   ALA   9           HA       ALA   9   6.091 -11.205 -15.854
 1146   1HB   ALA   9          1HB       ALA   9   8.017 -11.914 -17.301
 1147   2HB   ALA   9          2HB       ALA   9   8.176 -13.334 -16.269
 1148   3HB   ALA   9          3HB       ALA   9   6.693 -13.074 -17.189
 1149    H    THR  10           H        THR  10   8.189 -12.960 -13.605
 1150    HA   THR  10           HA       THR  10   6.262 -14.928 -12.890
 1151    HB   THR  10           HB       THR  10   8.273 -14.254 -10.855
 1152    HG1  THR  10           HG1      THR  10   9.134 -15.093 -13.455
 1153   1HG2  THR  10          1HG2      THR  10   6.848 -16.409 -11.272
 1154   2HG2  THR  10          2HG2      THR  10   8.137 -16.804 -12.410
 1155   3HG2  THR  10          3HG2      THR  10   8.512 -16.547 -10.704
 1156    H    PHE  11           H        PHE  11   7.347 -11.899 -11.412
 1157    HA   PHE  11           HA       PHE  11   5.830 -11.921  -9.094
 1158   1HB   PHE  11          2HB       PHE  11   7.632 -10.229 -10.106
 1159   2HB   PHE  11          3HB       PHE  11   6.181  -9.339 -10.549
 1160    HD1  PHE  11           HD1      PHE  11   4.396  -9.370  -8.446
 1161    HD2  PHE  11           HD2      PHE  11   8.651  -9.468  -8.203
 1162    HE1  PHE  11           HE1      PHE  11   4.291  -8.405  -6.183
 1163    HE2  PHE  11           HE2      PHE  11   8.545  -8.506  -5.943
 1164    HZ   PHE  11           HZ       PHE  11   6.366  -7.970  -4.932
 1165    H    LYS  12           H        LYS  12   5.037 -10.572 -12.250
 1166    HA   LYS  12           HA       LYS  12   2.464  -9.636 -11.631
 1167   1HB   LYS  12          2HB       LYS  12   4.137  -9.543 -13.805
 1168   2HB   LYS  12          3HB       LYS  12   2.842 -10.586 -14.368
 1169   1HG   LYS  12          2HG       LYS  12   1.990  -8.578 -14.986
 1170   2HG   LYS  12          3HG       LYS  12   1.335  -8.672 -13.350
 1171   1HD   LYS  12          2HD       LYS  12   2.360  -6.761 -12.868
 1172   2HD   LYS  12          3HD       LYS  12   3.913  -7.562 -13.119
 1173   1HE   LYS  12          2HE       LYS  12   2.495  -6.715 -15.559
 1174   2HE   LYS  12          3HE       LYS  12   3.071  -5.412 -14.519
 1175   1HZ   LYS  12          HZ1       LYS  12   5.232  -6.953 -14.581
 1176   2HZ   LYS  12          HZ2       LYS  12   4.582  -7.330 -16.100
 1177   3HZ   LYS  12          HZ3       LYS  12   4.947  -5.724 -15.705
 1178    H    ALA  13           H        ALA  13   3.645 -12.806 -12.343
 1179    HA   ALA  13           HA       ALA  13   1.137 -13.959 -13.113
 1180   1HB   ALA  13          1HB       ALA  13   3.776 -15.142 -12.273
 1181   2HB   ALA  13          2HB       ALA  13   2.372 -16.126 -12.697
 1182   3HB   ALA  13          3HB       ALA  13   3.087 -15.048 -13.896
 1183    H    GLN  14           H        GLN  14   3.044 -13.868 -10.140
 1184    HA   GLN  14           HA       GLN  14   1.204 -15.461  -8.636
 1185   1HB   GLN  14          2HB       GLN  14   3.704 -14.007  -8.105
 1186   2HB   GLN  14          3HB       GLN  14   2.604 -14.102  -6.734
 1187   1HG   GLN  14          2HG       GLN  14   2.682 -16.670  -7.862
 1188   2HG   GLN  14          3HG       GLN  14   4.350 -16.094  -7.804
 1189   1HE2  GLN  14          1HE2      GLN  14   5.270 -15.585  -5.810
 1190   2HE2  GLN  14          2HE2      GLN  14   4.610 -16.171  -4.321
 1191    H    VAL  15           H        VAL  15   1.940 -12.001  -8.704
 1192    HA   VAL  15           HA       VAL  15   0.077 -11.267  -6.759
 1193    HB   VAL  15           HB       VAL  15   1.682  -9.829  -8.787
 1194   1HG1  VAL  15          1HG1      VAL  15  -0.912  -8.803  -7.806
 1195   2HG1  VAL  15          2HG1      VAL  15   0.453  -7.684  -7.778
 1196   3HG1  VAL  15          3HG1      VAL  15  -0.036  -8.443  -9.294
 1197   1HG2  VAL  15          1HG2      VAL  15   1.848 -10.373  -6.085
 1198   2HG2  VAL  15          2HG2      VAL  15   2.839  -9.220  -6.977
 1199   3HG2  VAL  15          3HG2      VAL  15   1.390  -8.670  -6.135
 1200    H    LYS  16           H        LYS  16  -0.318 -11.680 -10.233
 1201    HA   LYS  16           HA       LYS  16  -2.840 -10.430 -10.463
 1202   1HB   LYS  16          2HB       LYS  16  -1.087 -11.881 -12.169
 1203   2HB   LYS  16          3HB       LYS  16  -2.693 -12.586 -12.308
 1204   1HG   LYS  16          2HG       LYS  16  -3.497 -10.158 -12.591
 1205   2HG   LYS  16          3HG       LYS  16  -1.803  -9.799 -12.931
 1206   1HD   LYS  16          2HD       LYS  16  -1.983 -11.773 -14.601
 1207   2HD   LYS  16          3HD       LYS  16  -3.723 -11.512 -14.458
 1208   1HE   LYS  16          2HE       LYS  16  -3.569  -9.872 -15.945
 1209   2HE   LYS  16          3HE       LYS  16  -2.549  -8.980 -14.816
 1210   1HZ   LYS  16          HZ1       LYS  16  -0.745 -10.611 -15.828
 1211   2HZ   LYS  16          HZ2       LYS  16  -1.797 -10.556 -17.156
 1212   3HZ   LYS  16          HZ3       LYS  16  -1.124  -9.120 -16.549
 1213    H    ALA  17           H        ALA  17  -1.887 -13.568  -9.299
 1214    HA   ALA  17           HA       ALA  17  -4.403 -14.853  -9.475
 1215   1HB   ALA  17          1HB       ALA  17  -2.172 -15.950  -9.016
 1216   2HB   ALA  17          2HB       ALA  17  -2.338 -15.384  -7.354
 1217   3HB   ALA  17          3HB       ALA  17  -3.525 -16.500  -8.028
 1218    H    ALA  18           H        ALA  18  -3.107 -12.471  -7.331
 1219    HA   ALA  18           HA       ALA  18  -4.941 -12.896  -5.182
 1220   1HB   ALA  18          1HB       ALA  18  -2.745 -11.101  -5.770
 1221   2HB   ALA  18          2HB       ALA  18  -4.082 -10.277  -4.968
 1222   3HB   ALA  18          3HB       ALA  18  -3.341 -11.691  -4.218
 1223    H    LYS  19           H        LYS  19  -4.998 -10.949  -8.125
 1224    HA   LYS  19           HA       LYS  19  -7.449  -9.597  -7.372
 1225   1HB   LYS  19          2HB       LYS  19  -7.348  -8.486  -9.446
 1226   2HB   LYS  19          3HB       LYS  19  -5.678  -8.596  -8.915
 1227   1HG   LYS  19          2HG       LYS  19  -5.171  -9.484 -10.873
 1228   2HG   LYS  19          3HG       LYS  19  -6.145 -10.893 -10.450
 1229   1HD   LYS  19          2HD       LYS  19  -8.117  -9.326 -11.250
 1230   2HD   LYS  19          3HD       LYS  19  -6.818  -8.552 -12.160
 1231   1HE   LYS  19          2HE       LYS  19  -6.241 -11.012 -12.842
 1232   2HE   LYS  19          3HE       LYS  19  -7.918 -11.317 -12.394
 1233   1HZ   LYS  19          HZ1       LYS  19  -7.583  -9.004 -14.072
 1234   2HZ   LYS  19          HZ2       LYS  19  -7.072 -10.441 -14.810
 1235   3HZ   LYS  19          HZ3       LYS  19  -8.657 -10.310 -14.225
 1236    H    ALA  20           H        ALA  20  -6.414 -12.497  -8.788
 1237    HA   ALA  20           HA       ALA  20  -8.816 -13.107 -10.254
 1238   1HB   ALA  20          1HB       ALA  20  -6.211 -14.189 -10.069
 1239   2HB   ALA  20          2HB       ALA  20  -7.347 -15.472  -9.646
 1240   3HB   ALA  20          3HB       ALA  20  -7.503 -14.630 -11.188
 1241    H    ASP  21           H        ASP  21  -7.808 -13.319  -7.009
 1242    HA   ASP  21           HA       ASP  21  -9.559 -15.464  -6.232
 1243   1HB   ASP  21          2HB       ASP  21  -7.360 -14.724  -5.090
 1244   2HB   ASP  21          3HB       ASP  21  -8.336 -13.463  -4.347
 1245    H    MET  22           H        MET  22 -10.182 -12.356  -7.157
 1246    HA   MET  22           HA       MET  22 -12.691 -12.360  -5.656
 1247   1HB   MET  22          2HB       MET  22 -12.397  -9.794  -5.495
 1248   2HB   MET  22          3HB       MET  22 -11.572 -10.817  -4.330
 1249   1HG   MET  22          2HG       MET  22  -9.641 -10.640  -6.153
 1250   2HG   MET  22          3HG       MET  22 -10.477  -9.127  -6.492
 1251   1HE   MET  22          1HE       MET  22 -11.770  -8.958  -3.735
 1252   2HE   MET  22          2HE       MET  22 -10.715  -8.495  -2.400
 1253   3HE   MET  22          3HE       MET  22 -10.988  -7.378  -3.736
 1254    H    VAL  23           H        VAL  23 -14.160 -10.553  -6.543
 1255    HA   VAL  23           HA       VAL  23 -14.373 -10.995  -9.388
 1256    HB   VAL  23           HB       VAL  23 -16.129  -9.240  -7.668
 1257   1HG1  VAL  23          1HG1      VAL  23 -16.519 -10.602 -10.321
 1258   2HG1  VAL  23          2HG1      VAL  23 -17.840  -9.905  -9.383
 1259   3HG1  VAL  23          3HG1      VAL  23 -16.539  -8.873  -9.976
 1260   1HG2  VAL  23          1HG2      VAL  23 -15.721 -11.867  -7.136
 1261   2HG2  VAL  23          2HG2      VAL  23 -17.224 -11.005  -6.806
 1262   3HG2  VAL  23          3HG2      VAL  23 -17.060 -11.959  -8.281
 1263    H    MET  24           H        MET  24 -13.233  -9.760 -10.764
 1264    HA   MET  24           HA       MET  24 -12.208  -7.190 -10.062
 1265   1HB   MET  24          2HB       MET  24 -12.010  -9.050 -12.306
 1266   2HB   MET  24          3HB       MET  24 -12.030  -7.369 -12.815
 1267   1HG   MET  24          2HG       MET  24  -9.865  -8.844 -11.899
 1268   2HG   MET  24          3HG       MET  24  -9.918  -7.112 -12.226
 1269   1HE   MET  24          1HE       MET  24  -8.419  -6.272 -11.012
 1270   2HE   MET  24          2HE       MET  24  -9.136  -5.404  -9.656
 1271   3HE   MET  24          3HE       MET  24  -7.932  -6.660  -9.362
 1272    H    LEU  25           H        LEU  25 -13.757  -5.653  -9.686
 1273    HA   LEU  25           HA       LEU  25 -15.706  -5.184 -11.840
 1274   1HB   LEU  25          2HB       LEU  25 -15.939  -5.246  -8.913
 1275   2HB   LEU  25          3HB       LEU  25 -16.697  -3.856  -9.662
 1276    HG   LEU  25           HG       LEU  25 -17.466  -6.717  -9.754
 1277   1HD1  LEU  25          1HD1      LEU  25 -18.685  -4.075  -9.294
 1278   2HD1  LEU  25          2HD1      LEU  25 -19.703  -5.271 -10.096
 1279   3HD1  LEU  25          3HD1      LEU  25 -19.000  -5.627  -8.519
 1280   1HD2  LEU  25          1HD2      LEU  25 -17.360  -4.997 -12.144
 1281   2HD2  LEU  25          2HD2      LEU  25 -17.414  -6.753 -12.007
 1282   3HD2  LEU  25          3HD2      LEU  25 -18.898  -5.813 -11.856
 1283    H    SER  26           H        SER  26 -15.766  -3.227 -12.754
 1284    HA   SER  26           HA       SER  26 -13.679  -1.350 -12.099
 1285   1HB   SER  26          2HB       SER  26 -15.595  -0.393 -14.053
 1286   2HB   SER  26          3HB       SER  26 -13.886  -0.781 -14.263
 1287    HG   SER  26           HG       SER  26 -14.467  -2.973 -14.527
 1288    HA   PRO  27           HA       PRO  27 -15.616   1.372  -9.331
 1289   1HB   PRO  27          2HB       PRO  27 -15.267   3.823 -10.675
 1290   2HB   PRO  27          3HB       PRO  27 -14.160   3.082  -9.518
 1291   1HG   PRO  27          2HG       PRO  27 -14.131   2.991 -12.501
 1292   2HG   PRO  27          3HG       PRO  27 -12.773   3.089 -11.365
 1293   1HD   PRO  27          2HD       PRO  27 -13.326   0.792 -12.558
 1294   2HD   PRO  27          3HD       PRO  27 -12.907   0.810 -10.833
 1295    H    LYS  28           H        LYS  28 -16.805   1.486 -12.640
 1296    HA   LYS  28           HA       LYS  28 -19.079   3.129 -12.004
 1297   1HB   LYS  28          2HB       LYS  28 -18.329   1.442 -14.382
 1298   2HB   LYS  28          3HB       LYS  28 -19.905   2.209 -14.250
 1299   1HG   LYS  28          2HG       LYS  28 -17.232   3.594 -14.312
 1300   2HG   LYS  28          3HG       LYS  28 -18.446   3.569 -15.593
 1301   1HD   LYS  28          2HD       LYS  28 -19.319   4.546 -12.934
 1302   2HD   LYS  28          3HD       LYS  28 -18.218   5.583 -13.842
 1303   1HE   LYS  28          2HE       LYS  28 -20.814   4.469 -14.900
 1304   2HE   LYS  28          3HE       LYS  28 -20.605   6.094 -14.249
 1305   1HZ   LYS  28          HZ1       LYS  28 -18.647   5.607 -16.222
 1306   2HZ   LYS  28          HZ2       LYS  28 -20.180   5.239 -16.855
 1307   3HZ   LYS  28          HZ3       LYS  28 -19.877   6.775 -16.211
 1308    H    ASP  29           H        ASP  29 -18.497  -0.310 -12.571
 1309    HA   ASP  29           HA       ASP  29 -21.183  -1.120 -12.003
 1310   1HB   ASP  29          2HB       ASP  29 -18.593  -2.476 -12.557
 1311   2HB   ASP  29          3HB       ASP  29 -19.813  -3.412 -11.698
 1312    H    ALA  30           H        ALA  30 -18.268  -0.701 -10.180
 1313    HA   ALA  30           HA       ALA  30 -19.114  -2.104  -7.844
 1314   1HB   ALA  30          1HB       ALA  30 -16.719  -1.408  -8.558
 1315   2HB   ALA  30          2HB       ALA  30 -17.111   0.117  -7.760
 1316   3HB   ALA  30          3HB       ALA  30 -17.151  -1.393  -6.846
 1317    H    TYR  31           H        TYR  31 -19.139   1.286  -8.847
 1318    HA   TYR  31           HA       TYR  31 -20.225   2.295  -6.433
 1319   1HB   TYR  31          HB2       TYR  31 -19.011   3.742  -7.936
 1320   2HB   TYR  31          HB3       TYR  31 -20.151   3.427  -9.233
 1321    HD1  TYR  31           HD1      TYR  31 -19.796   5.023  -5.906
 1322    HD2  TYR  31           HD2      TYR  31 -22.092   4.739  -9.479
 1323    HE1  TYR  31           HE1      TYR  31 -21.099   6.998  -5.223
 1324    HE2  TYR  31           HE2      TYR  31 -23.402   6.703  -8.806
 1325    HH   TYR  31           HH       TYR  31 -23.048   8.729  -7.312
 1326    H    LYS  32           H        LYS  32 -21.634   0.977  -9.347
 1327    HA   LYS  32           HA       LYS  32 -24.240   1.928  -9.142
 1328   1HB   LYS  32          2HB       LYS  32 -23.805   0.859 -11.148
 1329   2HB   LYS  32          3HB       LYS  32 -22.980  -0.486 -10.375
 1330   1HG   LYS  32          2HG       LYS  32 -24.878  -1.552 -10.988
 1331   2HG   LYS  32          3HG       LYS  32 -25.421  -0.934  -9.427
 1332   1HD   LYS  32          2HD       LYS  32 -26.021   1.160 -11.027
 1333   2HD   LYS  32          3HD       LYS  32 -26.235  -0.181 -12.155
 1334   1HE   LYS  32          2HE       LYS  32 -28.121  -0.846 -11.162
 1335   2HE   LYS  32          3HE       LYS  32 -27.414  -0.715  -9.553
 1336   1HZ   LYS  32          HZ1       LYS  32 -27.899   1.853 -10.696
 1337   2HZ   LYS  32          HZ2       LYS  32 -29.321   0.926 -10.640
 1338   3HZ   LYS  32          HZ3       LYS  32 -28.438   1.207  -9.218
 1339    H    LEU  33           H        LEU  33 -22.935  -1.155  -7.891
 1340    HA   LEU  33           HA       LEU  33 -25.357  -1.755  -6.488
 1341   1HB   LEU  33          2HB       LEU  33 -23.598  -3.399  -5.310
 1342   2HB   LEU  33          3HB       LEU  33 -24.361  -3.738  -6.851
 1343    HG   LEU  33           HG       LEU  33 -22.116  -2.325  -7.590
 1344   1HD1  LEU  33          1HD1      LEU  33 -21.568  -2.868  -5.011
 1345   2HD1  LEU  33          2HD1      LEU  33 -20.957  -4.337  -5.774
 1346   3HD1  LEU  33          3HD1      LEU  33 -20.336  -2.761  -6.271
 1347   1HD2  LEU  33          1HD2      LEU  33 -22.973  -5.155  -7.550
 1348   2HD2  LEU  33          2HD2      LEU  33 -22.544  -4.119  -8.910
 1349   3HD2  LEU  33          3HD2      LEU  33 -21.278  -4.837  -7.914
 1350    H    LEU  34           H        LEU  34 -22.441  -0.063  -5.745
 1351    HA   LEU  34           HA       LEU  34 -22.353  -0.253  -2.977
 1352   1HB   LEU  34          2HB       LEU  34 -21.296   1.557  -5.023
 1353   2HB   LEU  34          3HB       LEU  34 -21.492   2.300  -3.447
 1354    HG   LEU  34           HG       LEU  34 -19.939  -0.237  -3.940
 1355   1HD1  LEU  34          1HD1      LEU  34 -19.165   2.120  -4.889
 1356   2HD1  LEU  34          2HD1      LEU  34 -18.623   2.318  -3.223
 1357   3HD1  LEU  34          3HD1      LEU  34 -18.030   0.967  -4.188
 1358   1HD2  LEU  34          1HD2      LEU  34 -20.194   1.575  -1.543
 1359   2HD2  LEU  34          2HD2      LEU  34 -20.813  -0.072  -1.688
 1360   3HD2  LEU  34          3HD2      LEU  34 -19.072   0.219  -1.677
 1361    H    GLN  35           H        GLN  35 -23.844   2.347  -4.904
 1362    HA   GLN  35           HA       GLN  35 -24.874   3.629  -2.590
 1363   1HB   GLN  35          2HB       GLN  35 -25.509   4.031  -5.512
 1364   2HB   GLN  35          3HB       GLN  35 -26.100   5.068  -4.219
 1365   1HG   GLN  35          2HG       GLN  35 -23.183   4.567  -4.713
 1366   2HG   GLN  35          3HG       GLN  35 -24.078   5.884  -5.465
 1367   1HE2  GLN  35          1HE2      GLN  35 -24.414   7.704  -4.354
 1368   2HE2  GLN  35          2HE2      GLN  35 -23.930   7.965  -2.711
 1369    H    GLU  36           H        GLU  36 -26.074   1.067  -4.513
 1370    HA   GLU  36           HA       GLU  36 -28.834   1.558  -3.766
 1371   1HB   GLU  36          2HB       GLU  36 -27.620   0.327  -5.930
 1372   2HB   GLU  36          3HB       GLU  36 -28.272  -1.018  -5.003
 1373   1HG   GLU  36          2HG       GLU  36 -30.249  -0.629  -5.897
 1374   2HG   GLU  36          3HG       GLU  36 -30.289   0.926  -5.071
 1375    H    ASN  37           H        ASN  37 -26.208  -0.627  -2.938
 1376    HA   ASN  37           HA       ASN  37 -27.966  -2.244  -1.288
 1377   1HB   ASN  37          2HB       ASN  37 -25.310  -2.530  -2.485
 1378   2HB   ASN  37          3HB       ASN  37 -25.409  -3.164  -0.847
 1379   1HD2  ASN  37          1HD2      ASN  37 -26.890  -3.303  -4.029
 1380   2HD2  ASN  37          2HD2      ASN  37 -27.494  -4.914  -3.879
 1381    HA   PRO  38           HA       PRO  38 -26.771  -0.039   2.443
 1382   1HB   PRO  38          2HB       PRO  38 -28.292  -1.450   4.149
 1383   2HB   PRO  38          3HB       PRO  38 -29.005  -0.277   3.036
 1384   1HG   PRO  38          2HG       PRO  38 -28.900  -3.255   2.841
 1385   2HG   PRO  38          3HG       PRO  38 -30.219  -2.149   2.418
 1386   1HD   PRO  38          2HD       PRO  38 -28.454  -3.268   0.604
 1387   2HD   PRO  38          3HD       PRO  38 -29.388  -1.786   0.324
 1388    H    ASP  39           H        ASP  39 -26.220  -3.223   1.487
 1389    HA   ASP  39           HA       ASP  39 -24.681  -3.982   3.840
 1390   1HB   ASP  39          2HB       ASP  39 -26.007  -5.398   1.703
 1391   2HB   ASP  39          3HB       ASP  39 -24.306  -5.845   1.730
 1392    H    ILE  40           H        ILE  40 -24.117  -4.166   0.366
 1393    HA   ILE  40           HA       ILE  40 -21.461  -4.347   0.267
 1394    HB   ILE  40           HB       ILE  40 -23.131  -2.733  -1.659
 1395   1HG1  ILE  40          2HG1      ILE  40 -22.310  -5.649  -1.607
 1396   2HG1  ILE  40          3HG1      ILE  40 -23.935  -5.022  -1.365
 1397   1HG2  ILE  40          1HG2      ILE  40 -20.321  -3.788  -1.827
 1398   2HG2  ILE  40          2HG2      ILE  40 -21.280  -3.461  -3.271
 1399   3HG2  ILE  40          3HG2      ILE  40 -20.908  -2.154  -2.144
 1400   1HD1  ILE  40          1HD1      ILE  40 -22.933  -4.082  -3.863
 1401   2HD1  ILE  40          2HD1      ILE  40 -22.722  -5.830  -3.760
 1402   3HD1  ILE  40          3HD1      ILE  40 -24.320  -5.122  -3.534
 1403    H    THR  41           H        THR  41 -20.004  -3.324   1.279
 1404    HA   THR  41           HA       THR  41 -20.010  -0.390   1.459
 1405    HB   THR  41           HB       THR  41 -18.025  -1.951   3.003
 1406    HG1  THR  41           HG1      THR  41 -20.720  -2.494   3.139
 1407   1HG2  THR  41          1HG2      THR  41 -18.728   0.612   3.033
 1408   2HG2  THR  41          2HG2      THR  41 -19.895   0.013   4.212
 1409   3HG2  THR  41          3HG2      THR  41 -18.168  -0.220   4.482
 1410    H    LEU  42           H        LEU  42 -18.138   0.774   0.762
 1411    HA   LEU  42           HA       LEU  42 -16.279  -0.821  -0.868
 1412   1HB   LEU  42          2HB       LEU  42 -17.192   0.861  -2.258
 1413   2HB   LEU  42          3HB       LEU  42 -17.105   2.071  -0.991
 1414    HG   LEU  42           HG       LEU  42 -14.558   1.857  -1.207
 1415   1HD1  LEU  42          1HD1      LEU  42 -14.853  -0.288  -2.599
 1416   2HD1  LEU  42          2HD1      LEU  42 -15.179   0.809  -3.942
 1417   3HD1  LEU  42          3HD1      LEU  42 -13.631   0.881  -3.100
 1418   1HD2  LEU  42          1HD2      LEU  42 -15.985   3.738  -2.049
 1419   2HD2  LEU  42          2HD2      LEU  42 -14.485   3.482  -2.942
 1420   3HD2  LEU  42          3HD2      LEU  42 -16.018   2.924  -3.614
 1421    H    ILE  43           H        ILE  43 -14.312  -1.129  -0.124
 1422    HA   ILE  43           HA       ILE  43 -13.339   0.591   2.054
 1423    HB   ILE  43           HB       ILE  43 -12.507  -2.198   1.234
 1424   1HG1  ILE  43          2HG1      ILE  43 -13.629  -1.172   3.844
 1425   2HG1  ILE  43          3HG1      ILE  43 -14.604  -1.916   2.581
 1426   1HG2  ILE  43          1HG2      ILE  43 -10.693  -0.471   2.061
 1427   2HG2  ILE  43          2HG2      ILE  43 -11.373  -0.866   3.641
 1428   3HG2  ILE  43          3HG2      ILE  43 -10.695  -2.141   2.628
 1429   1HD1  ILE  43          1HD1      ILE  43 -12.757  -3.828   2.900
 1430   2HD1  ILE  43          2HD1      ILE  43 -12.758  -3.139   4.521
 1431   3HD1  ILE  43          3HD1      ILE  43 -14.254  -3.760   3.827
 1432    H    ASP  44           H        ASP  44 -12.073   2.168   1.344
 1433    HA   ASP  44           HA       ASP  44 -10.573   1.743  -1.139
 1434   1HB   ASP  44          2HB       ASP  44 -11.605   3.745  -1.503
 1435   2HB   ASP  44          3HB       ASP  44 -11.747   4.097   0.214
 1436    H    VAL  45           H        VAL  45  -8.387   1.826  -1.241
 1437    HA   VAL  45           HA       VAL  45  -6.995   2.361   1.286
 1438    HB   VAL  45           HB       VAL  45  -5.117   0.948   0.089
 1439   1HG1  VAL  45          1HG1      VAL  45  -7.399   0.179   1.791
 1440   2HG1  VAL  45          2HG1      VAL  45  -6.477  -1.146   1.080
 1441   3HG1  VAL  45          3HG1      VAL  45  -5.667   0.053   2.089
 1442   1HG2  VAL  45          1HG2      VAL  45  -7.649   0.016  -1.235
 1443   2HG2  VAL  45          2HG2      VAL  45  -6.119   0.472  -1.985
 1444   3HG2  VAL  45          3HG2      VAL  45  -6.234  -1.024  -1.060
 1445    H    ARG  46           H        ARG  46  -6.557   4.438   0.999
 1446    HA   ARG  46           HA       ARG  46  -4.506   5.103  -0.931
 1447   1HB   ARG  46          2HB       ARG  46  -6.928   5.684  -1.805
 1448   2HB   ARG  46          3HB       ARG  46  -6.785   7.037  -0.692
 1449   1HG   ARG  46          2HG       ARG  46  -6.068   7.911  -2.717
 1450   2HG   ARG  46          3HG       ARG  46  -4.564   7.525  -1.881
 1451   1HD   ARG  46          2HD       ARG  46  -5.915   5.876  -4.019
 1452   2HD   ARG  46          3HD       ARG  46  -4.429   6.810  -4.191
 1453    HE   ARG  46           HE       ARG  46  -4.760   4.282  -2.755
 1454   1HH1  ARG  46          1HH1      ARG  46  -2.647   6.873  -3.850
 1455   2HH1  ARG  46          2HH1      ARG  46  -1.192   6.028  -3.381
 1456   1HH2  ARG  46          1HH2      ARG  46  -2.835   3.224  -2.121
 1457   2HH2  ARG  46          2HH2      ARG  46  -1.303   4.005  -2.372
 1458    H    ASP  47           H        ASP  47  -3.034   6.444  -0.019
 1459    HA   ASP  47           HA       ASP  47  -3.209   6.686   2.769
 1460   1HB   ASP  47          2HB       ASP  47  -1.184   7.068   0.757
 1461   2HB   ASP  47          3HB       ASP  47  -1.102   8.355   1.962
 1462    HA   PRO  48           HA       PRO  48  -5.361  10.239   3.843
 1463   1HB   PRO  48          2HB       PRO  48  -3.418  11.445   5.528
 1464   2HB   PRO  48          3HB       PRO  48  -4.737  10.374   6.004
 1465   1HG   PRO  48          2HG       PRO  48  -1.878   9.748   5.490
 1466   2HG   PRO  48          3HG       PRO  48  -3.013   8.995   6.624
 1467   1HD   PRO  48          2HD       PRO  48  -2.294   7.744   4.386
 1468   2HD   PRO  48          3HD       PRO  48  -3.972   7.667   4.967
 1469    H    ASP  49           H        ASP  49  -2.032  10.846   2.866
 1470    HA   ASP  49           HA       ASP  49  -2.406  13.637   2.465
 1471   1HB   ASP  49          2HB       ASP  49  -0.250  11.696   2.075
 1472   2HB   ASP  49          3HB       ASP  49  -0.273  12.971   0.857
 1473    H    GLU  50           H        GLU  50  -2.490  10.818   0.313
 1474    HA   GLU  50           HA       GLU  50  -2.994  12.287  -2.070
 1475   1HB   GLU  50          2HB       GLU  50  -3.329   9.412  -1.261
 1476   2HB   GLU  50          3HB       GLU  50  -3.906   9.984  -2.820
 1477   1HG   GLU  50          2HG       GLU  50  -1.368  10.956  -2.787
 1478   2HG   GLU  50          3HG       GLU  50  -1.185   9.449  -1.893
 1479    H    LEU  51           H        LEU  51  -4.989  10.849   0.430
 1480    HA   LEU  51           HA       LEU  51  -7.512  11.155  -0.795
 1481   1HB   LEU  51          2HB       LEU  51  -6.537  10.209   1.640
 1482   2HB   LEU  51          3HB       LEU  51  -7.561  11.564   2.078
 1483    HG   LEU  51           HG       LEU  51  -9.309  10.425   0.524
 1484   1HD1  LEU  51          1HD1      LEU  51  -7.205   8.645   0.206
 1485   2HD1  LEU  51          2HD1      LEU  51  -8.322   7.826   1.301
 1486   3HD1  LEU  51          3HD1      LEU  51  -8.886   8.396  -0.270
 1487   1HD2  LEU  51          1HD2      LEU  51  -8.613  10.111   3.308
 1488   2HD2  LEU  51          2HD2      LEU  51 -10.200  10.266   2.554
 1489   3HD2  LEU  51          3HD2      LEU  51  -9.437   8.682   2.686
 1490    H    LYS  52           H        LYS  52  -5.468  13.332   1.020
 1491    HA   LYS  52           HA       LYS  52  -7.420  15.390   1.338
 1492   1HB   LYS  52          2HB       LYS  52  -4.473  15.160   1.746
 1493   2HB   LYS  52          3HB       LYS  52  -5.182  16.766   1.657
 1494   1HG   LYS  52          2HG       LYS  52  -6.838  15.842   3.437
 1495   2HG   LYS  52          3HG       LYS  52  -5.580  14.631   3.701
 1496   1HD   LYS  52          2HD       LYS  52  -4.477  17.303   3.555
 1497   2HD   LYS  52          3HD       LYS  52  -5.705  17.176   4.816
 1498   1HE   LYS  52          2HE       LYS  52  -4.045  16.369   6.085
 1499   2HE   LYS  52          3HE       LYS  52  -4.275  14.876   5.177
 1500   1HZ   LYS  52          HZ1       LYS  52  -2.610  15.941   3.543
 1501   2HZ   LYS  52          HZ2       LYS  52  -2.200  16.945   4.848
 1502   3HZ   LYS  52          HZ3       LYS  52  -2.024  15.261   4.983
 1503    H    ALA  53           H        ALA  53  -4.816  14.765  -0.965
 1504    HA   ALA  53           HA       ALA  53  -5.106  17.272  -2.280
 1505   1HB   ALA  53          1HB       ALA  53  -3.160  15.340  -2.165
 1506   2HB   ALA  53          2HB       ALA  53  -3.748  15.211  -3.823
 1507   3HB   ALA  53          3HB       ALA  53  -3.152  16.756  -3.216
 1508    H    MET  54           H        MET  54  -5.979  13.944  -3.244
 1509    HA   MET  54           HA       MET  54  -7.279  15.054  -5.622
 1510   1HB   MET  54          2HB       MET  54  -6.287  12.348  -4.846
 1511   2HB   MET  54          3HB       MET  54  -7.549  12.462  -6.064
 1512   1HG   MET  54          2HG       MET  54  -5.672  14.342  -6.850
 1513   2HG   MET  54          3HG       MET  54  -4.714  12.977  -6.279
 1514   1HE   MET  54          1HE       MET  54  -4.066  11.290  -7.371
 1515   2HE   MET  54          2HE       MET  54  -5.389  10.170  -7.690
 1516   3HE   MET  54          3HE       MET  54  -4.433  10.810  -9.028
 1517    H    GLY  55           H        GLY  55  -8.077  13.241  -2.729
 1518   1HA   GLY  55          1HA       GLY  55 -10.281  13.823  -1.796
 1519   2HA   GLY  55          2HA       GLY  55 -10.919  13.594  -3.416
 1520    H    LYS  56           H        LYS  56 -12.322  12.246  -1.869
 1521    HA   LYS  56           HA       LYS  56 -11.423   9.460  -2.080
 1522   1HB   LYS  56          2HB       LYS  56 -12.892   9.335   0.200
 1523   2HB   LYS  56          3HB       LYS  56 -11.140   9.475   0.177
 1524   1HG   LYS  56          2HG       LYS  56 -11.167  11.561   1.001
 1525   2HG   LYS  56          3HG       LYS  56 -12.586  12.027   0.061
 1526   1HD   LYS  56          2HD       LYS  56 -14.044  10.920   1.628
 1527   2HD   LYS  56          3HD       LYS  56 -12.661  10.282   2.520
 1528   1HE   LYS  56          2HE       LYS  56 -13.365  13.197   2.195
 1529   2HE   LYS  56          3HE       LYS  56 -13.643  12.225   3.641
 1530   1HZ   LYS  56          HZ1       LYS  56 -11.167  11.826   3.630
 1531   2HZ   LYS  56          HZ2       LYS  56 -11.051  13.069   2.477
 1532   3HZ   LYS  56          HZ3       LYS  56 -11.660  13.396   4.026
 1533    HA   PRO  57           HA       PRO  57 -15.399   8.738  -3.826
 1534   1HB   PRO  57          2HB       PRO  57 -15.903   6.447  -2.043
 1535   2HB   PRO  57          3HB       PRO  57 -15.771   6.501  -3.801
 1536   1HG   PRO  57          2HG       PRO  57 -13.835   5.430  -2.275
 1537   2HG   PRO  57          3HG       PRO  57 -13.476   6.300  -3.777
 1538   1HD   PRO  57          2HD       PRO  57 -13.194   7.205  -0.945
 1539   2HD   PRO  57          3HD       PRO  57 -12.155   7.533  -2.349
 1540    H    ASP  58           H        ASP  58 -17.199   9.866  -3.490
 1541    HA   ASP  58           HA       ASP  58 -18.219  10.228  -0.776
 1542   1HB   ASP  58          2HB       ASP  58 -18.022  12.222  -2.209
 1543   2HB   ASP  58          3HB       ASP  58 -19.098  11.485  -3.390
 1544    H    VAL  59           H        VAL  59 -19.048   8.166  -0.384
 1545    HA   VAL  59           HA       VAL  59 -21.591   7.641  -1.743
 1546    HB   VAL  59           HB       VAL  59 -21.240   5.314  -1.954
 1547   1HG1  VAL  59          1HG1      VAL  59 -18.812   6.839  -2.846
 1548   2HG1  VAL  59          2HG1      VAL  59 -19.068   5.143  -3.258
 1549   3HG1  VAL  59          3HG1      VAL  59 -20.224   6.365  -3.791
 1550   1HG2  VAL  59          1HG2      VAL  59 -19.915   5.269   0.288
 1551   2HG2  VAL  59          2HG2      VAL  59 -19.632   4.026  -0.931
 1552   3HG2  VAL  59          3HG2      VAL  59 -18.503   5.372  -0.767
 1553    H    LYS  60           H        LYS  60 -22.937   6.060  -0.391
 1554    HA   LYS  60           HA       LYS  60 -23.022   7.145   2.255
 1555   1HB   LYS  60          2HB       LYS  60 -24.764   4.975   2.267
 1556   2HB   LYS  60          3HB       LYS  60 -25.183   6.659   2.014
 1557   1HG   LYS  60          2HG       LYS  60 -26.189   5.646   0.229
 1558   2HG   LYS  60          3HG       LYS  60 -24.654   6.116  -0.486
 1559   1HD   LYS  60          2HD       LYS  60 -24.858   3.912  -1.172
 1560   2HD   LYS  60          3HD       LYS  60 -23.879   3.750   0.286
 1561   1HE   LYS  60          2HE       LYS  60 -25.645   2.084   0.261
 1562   2HE   LYS  60          3HE       LYS  60 -25.896   3.229   1.577
 1563   1HZ   LYS  60          HZ1       LYS  60 -27.249   3.466  -1.053
 1564   2HZ   LYS  60          HZ2       LYS  60 -27.922   2.631   0.259
 1565   3HZ   LYS  60          HZ3       LYS  60 -27.618   4.297   0.379
 1566    H    ASN  61           H        ASN  61 -21.819   4.225   0.864
 1567    HA   ASN  61           HA       ASN  61 -21.239   3.198   3.560
 1568   1HB   ASN  61          2HB       ASN  61 -22.758   2.014   1.527
 1569   2HB   ASN  61          3HB       ASN  61 -21.222   1.159   1.498
 1570   1HD2  ASN  61          1HD2      ASN  61 -22.877  -0.525   2.080
 1571   2HD2  ASN  61          2HD2      ASN  61 -23.115  -0.811   3.768
 1572    H    TYR  62           H        TYR  62 -19.258   4.622   3.161
 1573    HA   TYR  62           HA       TYR  62 -17.231   3.020   1.749
 1574   1HB   TYR  62          HB2       TYR  62 -17.316   4.954   0.463
 1575   2HB   TYR  62          HB3       TYR  62 -17.699   5.978   1.840
 1576    HD1  TYR  62           HD1      TYR  62 -14.884   3.624   1.155
 1577    HD2  TYR  62           HD2      TYR  62 -16.089   7.597   2.045
 1578    HE1  TYR  62           HE1      TYR  62 -12.529   4.289   1.306
 1579    HE2  TYR  62           HE2      TYR  62 -13.731   8.289   2.192
 1580    HH   TYR  62           HH       TYR  62 -11.148   6.290   1.123
 1581    H    LYS  63           H        LYS  63 -15.596   2.284   2.972
 1582    HA   LYS  63           HA       LYS  63 -15.077   3.639   5.531
 1583   1HB   LYS  63          2HB       LYS  63 -14.910   0.668   4.965
 1584   2HB   LYS  63          3HB       LYS  63 -14.460   1.449   6.472
 1585   1HG   LYS  63          2HG       LYS  63 -16.807   2.253   6.659
 1586   2HG   LYS  63          3HG       LYS  63 -17.203   1.221   5.285
 1587   1HD   LYS  63          2HD       LYS  63 -16.271  -0.705   6.600
 1588   2HD   LYS  63          3HD       LYS  63 -16.160   0.383   7.984
 1589   1HE   LYS  63          2HE       LYS  63 -18.663  -0.398   6.496
 1590   2HE   LYS  63          3HE       LYS  63 -18.198  -0.910   8.116
 1591   1HZ   LYS  63          HZ1       LYS  63 -18.529   1.958   7.481
 1592   2HZ   LYS  63          HZ2       LYS  63 -19.872   0.995   7.859
 1593   3HZ   LYS  63          HZ3       LYS  63 -18.620   1.181   8.985
 1594    H    HIS  64           H        HIS  64 -13.093   4.465   5.622
 1595    HA   HIS  64           HA       HIS  64 -11.172   3.772   3.575
 1596   1HB   HIS  64          2HB       HIS  64 -11.682   6.128   4.215
 1597   2HB   HIS  64          3HB       HIS  64 -11.014   5.807   5.810
 1598    HD1  HIS  64           HD1      HIS  64  -9.119   7.476   5.613
 1599    HD2  HIS  64           HD2      HIS  64  -9.126   4.613   2.592
 1600    HE1  HIS  64           HE1      HIS  64  -6.927   7.748   4.416
 1601    HE2  HIS  64           HE2      HIS  64  -7.088   6.207   2.435
 1602    H    MET  65           H        MET  65  -9.349   2.606   3.875
 1603    HA   MET  65           HA       MET  65  -8.515   1.999   6.620
 1604   1HB   MET  65          2HB       MET  65  -9.651   0.149   4.751
 1605   2HB   MET  65          3HB       MET  65  -7.970  -0.285   5.034
 1606   1HG   MET  65          2HG       MET  65  -8.374  -0.985   7.111
 1607   2HG   MET  65          3HG       MET  65  -9.446   0.367   7.464
 1608   1HE   MET  65          1HE       MET  65 -11.478   0.555   5.748
 1609   2HE   MET  65          2HE       MET  65 -12.631  -0.762   5.528
 1610   3HE   MET  65          3HE       MET  65 -12.429  -0.023   7.117
 1611    H    SER  66           H        SER  66  -6.326   0.896   6.576
 1612    HA   SER  66           HA       SER  66  -4.543   2.332   4.763
 1613   1HB   SER  66          2HB       SER  66  -3.472   0.549   6.891
 1614   2HB   SER  66          3HB       SER  66  -2.922   2.145   6.376
 1615    HG   SER  66           HG       SER  66  -3.870   2.703   8.190
 1616    H    ARG  67           H        ARG  67  -2.439   0.728   4.365
 1617    HA   ARG  67           HA       ARG  67  -3.622  -1.375   2.744
 1618   1HB   ARG  67          2HB       ARG  67  -0.771  -1.328   2.488
 1619   2HB   ARG  67          3HB       ARG  67  -1.989  -0.903   1.296
 1620   1HG   ARG  67          2HG       ARG  67  -1.296   1.097   3.381
 1621   2HG   ARG  67          3HG       ARG  67  -0.152   0.812   2.070
 1622   1HD   ARG  67          2HD       ARG  67  -1.479   1.793   0.530
 1623   2HD   ARG  67          3HD       ARG  67  -2.958   1.151   1.244
 1624    HE   ARG  67           HE       ARG  67  -1.528   3.582   2.122
 1625   1HH1  ARG  67          1HH1      ARG  67  -4.451   1.646   1.965
 1626   2HH1  ARG  67          2HH1      ARG  67  -5.402   2.775   2.881
 1627   1HH2  ARG  67          1HH2      ARG  67  -2.749   5.052   3.307
 1628   2HH2  ARG  67          2HH2      ARG  67  -4.428   4.739   3.628
 1629    H    GLY  68           H        GLY  68  -1.153  -1.047   5.243
 1630   1HA   GLY  68          1HA       GLY  68  -1.194  -3.959   5.656
 1631   2HA   GLY  68          2HA       GLY  68   0.040  -2.861   6.264
 1632    H    LYS  69           H        LYS  69  -1.510  -0.880   7.332
 1633    HA   LYS  69           HA       LYS  69  -2.437  -2.068   9.786
 1634   1HB   LYS  69          2HB       LYS  69  -1.229   0.266   9.282
 1635   2HB   LYS  69          3HB       LYS  69  -2.895   0.814   9.179
 1636   1HG   LYS  69          2HG       LYS  69  -3.329   0.080  11.430
 1637   2HG   LYS  69          3HG       LYS  69  -1.717  -0.631  11.544
 1638   1HD   LYS  69          2HD       LYS  69  -0.832   1.327  12.133
 1639   2HD   LYS  69          3HD       LYS  69  -1.550   2.128  10.734
 1640   1HE   LYS  69          2HE       LYS  69  -3.605   2.489  11.935
 1641   2HE   LYS  69          3HE       LYS  69  -3.018   1.544  13.302
 1642   1HZ   LYS  69          HZ1       LYS  69  -1.245   3.685  12.620
 1643   2HZ   LYS  69          HZ2       LYS  69  -2.798   4.247  13.004
 1644   3HZ   LYS  69          HZ3       LYS  69  -1.946   3.298  14.117
 1645    H    LEU  70           H        LEU  70  -3.881  -2.672   7.309
 1646    HA   LEU  70           HA       LEU  70  -6.393  -1.299   7.448
 1647   1HB   LEU  70          2HB       LEU  70  -6.876  -2.316   5.504
 1648   2HB   LEU  70          3HB       LEU  70  -5.164  -2.681   5.476
 1649    HG   LEU  70           HG       LEU  70  -6.354  -4.797   6.890
 1650   1HD1  LEU  70          1HD1      LEU  70  -7.922  -4.086   4.413
 1651   2HD1  LEU  70          2HD1      LEU  70  -8.023  -5.618   5.282
 1652   3HD1  LEU  70          3HD1      LEU  70  -8.533  -4.123   6.067
 1653   1HD2  LEU  70          1HD2      LEU  70  -4.935  -4.336   4.356
 1654   2HD2  LEU  70          2HD2      LEU  70  -4.645  -5.526   5.626
 1655   3HD2  LEU  70          3HD2      LEU  70  -5.903  -5.810   4.423
 1656    H    GLU  71           H        GLU  71  -5.170  -4.505   8.356
 1657    HA   GLU  71           HA       GLU  71  -7.538  -5.607   9.175
 1658   1HB   GLU  71          2HB       GLU  71  -5.933  -6.855  10.918
 1659   2HB   GLU  71          3HB       GLU  71  -6.018  -7.248   9.210
 1660   1HG   GLU  71          2HG       GLU  71  -3.880  -6.761   8.940
 1661   2HG   GLU  71          3HG       GLU  71  -4.103  -5.158   9.647
 1662    HA   PRO  72           HA       PRO  72  -7.117  -3.954  13.674
 1663   1HB   PRO  72          2HB       PRO  72  -5.663  -1.714  14.098
 1664   2HB   PRO  72          3HB       PRO  72  -4.971  -3.336  14.234
 1665   1HG   PRO  72          2HG       PRO  72  -4.804  -1.384  11.976
 1666   2HG   PRO  72          3HG       PRO  72  -3.537  -2.421  12.654
 1667   1HD   PRO  72          2HD       PRO  72  -4.887  -3.022  10.371
 1668   2HD   PRO  72          3HD       PRO  72  -4.231  -4.259  11.462
 1669    H    LEU  73           H        LEU  73  -7.201  -1.949  10.848
 1670    HA   LEU  73           HA       LEU  73  -9.000   0.008  12.038
 1671   1HB   LEU  73          2HB       LEU  73  -7.257  -0.055   9.803
 1672   2HB   LEU  73          3HB       LEU  73  -8.877   0.153   9.169
 1673    HG   LEU  73           HG       LEU  73  -7.762   2.299   9.504
 1674   1HD1  LEU  73          1HD1      LEU  73 -10.123   1.680  11.249
 1675   2HD1  LEU  73          2HD1      LEU  73  -9.486   3.316  11.080
 1676   3HD1  LEU  73          3HD1      LEU  73 -10.091   2.454   9.664
 1677   1HD2  LEU  73          1HD2      LEU  73  -7.328   1.203  12.231
 1678   2HD2  LEU  73          2HD2      LEU  73  -6.255   2.160  11.212
 1679   3HD2  LEU  73          3HD2      LEU  73  -7.591   2.937  12.059
 1680    H    LEU  74           H        LEU  74  -9.060  -2.877  10.184
 1681    HA   LEU  74           HA       LEU  74 -11.533  -2.783   8.918
 1682   1HB   LEU  74          2HB       LEU  74  -9.567  -4.493   8.857
 1683   2HB   LEU  74          3HB       LEU  74 -10.420  -5.275  10.170
 1684    HG   LEU  74           HG       LEU  74 -12.434  -5.224   8.474
 1685   1HD1  LEU  74          1HD1      LEU  74 -10.468  -4.076   6.903
 1686   2HD1  LEU  74          2HD1      LEU  74 -10.524  -5.755   6.363
 1687   3HD1  LEU  74          3HD1      LEU  74 -11.987  -4.773   6.338
 1688   1HD2  LEU  74          1HD2      LEU  74 -10.560  -7.098   9.314
 1689   2HD2  LEU  74          2HD2      LEU  74 -12.095  -7.422   8.506
 1690   3HD2  LEU  74          3HD2      LEU  74 -10.612  -7.274   7.558
 1691    H    ALA  75           H        ALA  75 -10.697  -4.167  12.071
 1692    HA   ALA  75           HA       ALA  75 -13.291  -4.980  12.742
 1693   1HB   ALA  75          1HB       ALA  75 -10.694  -5.063  13.909
 1694   2HB   ALA  75          2HB       ALA  75 -11.864  -4.558  15.129
 1695   3HB   ALA  75          3HB       ALA  75 -12.102  -6.069  14.251
 1696    H    LYS  76           H        LYS  76 -11.701  -1.886  13.182
 1697    HA   LYS  76           HA       LYS  76 -13.808  -1.010  14.997
 1698   1HB   LYS  76          2HB       LYS  76 -12.464   1.233  14.761
 1699   2HB   LYS  76          3HB       LYS  76 -11.877  -0.068  15.786
 1700   1HG   LYS  76          2HG       LYS  76 -10.348  -0.774  14.037
 1701   2HG   LYS  76          3HG       LYS  76 -10.961   0.496  12.975
 1702   1HD   LYS  76          2HD       LYS  76  -9.868   1.174  15.678
 1703   2HD   LYS  76          3HD       LYS  76  -8.779   0.905  14.317
 1704   1HE   LYS  76          2HE       LYS  76  -9.251   2.895  13.430
 1705   2HE   LYS  76          3HE       LYS  76 -10.986   2.649  13.615
 1706   1HZ   LYS  76          HZ1       LYS  76  -9.770   3.136  16.134
 1707   2HZ   LYS  76          HZ2       LYS  76  -9.386   4.378  15.043
 1708   3HZ   LYS  76          HZ3       LYS  76 -11.006   3.997  15.355
 1709    H    SER  77           H        SER  77 -13.215  -1.062  11.676
 1710    HA   SER  77           HA       SER  77 -14.560   1.363  10.988
 1711   1HB   SER  77          2HB       SER  77 -13.743  -1.080   9.421
 1712   2HB   SER  77          3HB       SER  77 -14.699   0.209   8.687
 1713    HG   SER  77           HG       SER  77 -12.078   0.318   9.742
 1714    H    GLY  78           H        GLY  78 -15.551  -1.899  11.722
 1715   1HA   GLY  78          1HA       GLY  78 -17.715  -2.495  12.382
 1716   2HA   GLY  78          2HA       GLY  78 -18.328  -1.024  11.639
 1717    H    LEU  79           H        LEU  79 -16.678  -4.027  10.670
 1718    HA   LEU  79           HA       LEU  79 -18.470  -4.132   8.338
 1719   1HB   LEU  79          2HB       LEU  79 -15.690  -5.247   8.706
 1720   2HB   LEU  79          3HB       LEU  79 -16.712  -5.599   7.325
 1721    HG   LEU  79           HG       LEU  79 -16.244  -2.735   7.906
 1722   1HD1  LEU  79          1HD1      LEU  79 -14.064  -4.586   7.684
 1723   2HD1  LEU  79          2HD1      LEU  79 -14.095  -3.509   6.286
 1724   3HD1  LEU  79          3HD1      LEU  79 -14.030  -2.836   7.915
 1725   1HD2  LEU  79          1HD2      LEU  79 -17.311  -4.245   5.847
 1726   2HD2  LEU  79          2HD2      LEU  79 -16.907  -2.529   5.792
 1727   3HD2  LEU  79          3HD2      LEU  79 -15.740  -3.730   5.235
 1728    H    ASP  80           H        ASP  80 -19.606  -5.997   7.940
 1729    HA   ASP  80           HA       ASP  80 -19.406  -8.106   9.981
 1730   1HB   ASP  80          2HB       ASP  80 -21.557  -6.581   9.636
 1731   2HB   ASP  80          3HB       ASP  80 -21.868  -7.714   8.329
 1732    HA   PRO  81           HA       PRO  81 -17.766 -10.631   6.844
 1733   1HB   PRO  81          2HB       PRO  81 -18.775 -13.077   7.767
 1734   2HB   PRO  81          3HB       PRO  81 -17.256 -12.313   8.249
 1735   1HG   PRO  81          2HG       PRO  81 -19.916 -12.275   9.602
 1736   2HG   PRO  81          3HG       PRO  81 -18.292 -12.348  10.312
 1737   1HD   PRO  81          2HD       PRO  81 -19.683 -10.080  10.337
 1738   2HD   PRO  81          3HD       PRO  81 -17.934 -10.066  10.023
 1739    H    GLU  82           H        GLU  82 -21.196 -10.407   7.139
 1740    HA   GLU  82           HA       GLU  82 -21.610 -12.211   4.894
 1741   1HB   GLU  82          2HB       GLU  82 -24.025 -11.002   5.454
 1742   2HB   GLU  82          3HB       GLU  82 -23.518 -12.592   5.987
 1743   1HG   GLU  82          2HG       GLU  82 -23.037 -11.847   8.116
 1744   2HG   GLU  82          3HG       GLU  82 -22.834 -10.173   7.594
 1745    H    LYS  83           H        LYS  83 -20.930  -8.979   5.427
 1746    HA   LYS  83           HA       LYS  83 -22.522  -7.852   3.349
 1747   1HB   LYS  83          2HB       LYS  83 -20.519  -6.917   5.304
 1748   2HB   LYS  83          3HB       LYS  83 -20.625  -5.985   3.814
 1749   1HG   LYS  83          2HG       LYS  83 -22.259  -4.887   4.853
 1750   2HG   LYS  83          3HG       LYS  83 -23.235  -6.296   4.446
 1751   1HD   LYS  83          2HD       LYS  83 -21.661  -6.319   6.970
 1752   2HD   LYS  83          3HD       LYS  83 -23.155  -5.380   6.902
 1753   1HE   LYS  83          2HE       LYS  83 -23.295  -8.121   5.817
 1754   2HE   LYS  83          3HE       LYS  83 -23.046  -7.998   7.556
 1755   1HZ   LYS  83          HZ1       LYS  83 -25.242  -6.660   6.065
 1756   2HZ   LYS  83          HZ2       LYS  83 -25.397  -8.120   6.919
 1757   3HZ   LYS  83          HZ3       LYS  83 -25.030  -6.689   7.751
 1758    HA   PRO  84           HA       PRO  84 -19.598  -8.848   0.068
 1759   1HB   PRO  84          2HB       PRO  84 -21.412  -7.462  -1.704
 1760   2HB   PRO  84          3HB       PRO  84 -21.076  -9.191  -1.623
 1761   1HG   PRO  84          2HG       PRO  84 -23.475  -8.082  -0.932
 1762   2HG   PRO  84          3HG       PRO  84 -22.861  -9.603  -0.257
 1763   1HD   PRO  84          2HD       PRO  84 -22.827  -6.850   0.924
 1764   2HD   PRO  84          3HD       PRO  84 -23.175  -8.412   1.706
 1765    H    VAL  85           H        VAL  85 -17.860  -7.527  -0.010
 1766    HA   VAL  85           HA       VAL  85 -18.397  -4.647  -0.280
 1767    HB   VAL  85           HB       VAL  85 -16.467  -4.132   1.041
 1768   1HG1  VAL  85          1HG1      VAL  85 -18.715  -5.514   2.036
 1769   2HG1  VAL  85          2HG1      VAL  85 -17.316  -6.058   2.962
 1770   3HG1  VAL  85          3HG1      VAL  85 -17.699  -4.339   2.875
 1771   1HG2  VAL  85          1HG2      VAL  85 -15.414  -6.484   0.220
 1772   2HG2  VAL  85          2HG2      VAL  85 -14.782  -5.521   1.557
 1773   3HG2  VAL  85          3HG2      VAL  85 -15.861  -6.878   1.881
 1774    H    VAL  86           H        VAL  86 -16.752  -3.368  -1.303
 1775    HA   VAL  86           HA       VAL  86 -15.139  -4.888  -3.231
 1776    HB   VAL  86           HB       VAL  86 -16.818  -3.924  -4.577
 1777   1HG1  VAL  86          1HG1      VAL  86 -17.557  -2.368  -2.657
 1778   2HG1  VAL  86          2HG1      VAL  86 -16.481  -1.192  -3.412
 1779   3HG1  VAL  86          3HG1      VAL  86 -17.834  -1.861  -4.323
 1780   1HG2  VAL  86          1HG2      VAL  86 -14.242  -3.224  -4.961
 1781   2HG2  VAL  86          2HG2      VAL  86 -15.545  -2.834  -6.083
 1782   3HG2  VAL  86          3HG2      VAL  86 -15.002  -1.634  -4.912
 1783    H    VAL  87           H        VAL  87 -13.052  -4.189  -3.492
 1784    HA   VAL  87           HA       VAL  87 -12.196  -2.084  -1.625
 1785    HB   VAL  87           HB       VAL  87  -9.895  -3.242  -1.907
 1786   1HG1  VAL  87          1HG1      VAL  87 -12.224  -4.117  -0.282
 1787   2HG1  VAL  87          2HG1      VAL  87 -10.747  -5.077  -0.215
 1788   3HG1  VAL  87          3HG1      VAL  87 -10.709  -3.369   0.222
 1789   1HG2  VAL  87          1HG2      VAL  87 -11.372  -4.869  -3.620
 1790   2HG2  VAL  87          2HG2      VAL  87  -9.739  -5.163  -3.022
 1791   3HG2  VAL  87          3HG2      VAL  87 -11.125  -5.843  -2.168
 1792    H    PHE  88           H        PHE  88 -11.476  -0.292  -2.465
 1793    HA   PHE  88           HA       PHE  88 -11.207  -0.021  -5.314
 1794   1HB   PHE  88          2HB       PHE  88 -12.161   1.639  -3.453
 1795   2HB   PHE  88          3HB       PHE  88 -10.495   2.198  -3.439
 1796    HD1  PHE  88           HD1      PHE  88 -12.129   0.958  -6.491
 1797    HD2  PHE  88           HD2      PHE  88 -11.037   4.415  -4.247
 1798    HE1  PHE  88           HE1      PHE  88 -12.535   2.361  -8.453
 1799    HE2  PHE  88           HE2      PHE  88 -11.442   5.811  -6.213
 1800    HZ   PHE  88           HZ       PHE  88 -12.194   4.788  -8.319
 1801    H    CYS  89           H        CYS  89  -9.341   1.103  -6.304
 1802    HA   CYS  89           HA       CYS  89  -7.170   1.429  -6.778
 1803   1HB   CYS  89          2HB       CYS  89  -7.479   1.980  -3.958
 1804   2HB   CYS  89          3HB       CYS  89  -5.845   1.438  -4.323
 1805    H    LYS  90           H        LYS  90  -6.764  -0.540  -7.825
 1806    HA   LYS  90           HA       LYS  90  -5.109  -2.409  -6.255
 1807   1HB   LYS  90          2HB       LYS  90  -6.083  -4.059  -7.427
 1808   2HB   LYS  90          3HB       LYS  90  -6.986  -2.892  -8.374
 1809   1HG   LYS  90          2HG       LYS  90  -5.877  -4.032 -10.021
 1810   2HG   LYS  90          3HG       LYS  90  -4.760  -2.700  -9.738
 1811   1HD   LYS  90          2HD       LYS  90  -3.617  -4.318  -8.067
 1812   2HD   LYS  90          3HD       LYS  90  -4.519  -5.579  -8.911
 1813   1HE   LYS  90          2HE       LYS  90  -3.030  -5.588 -10.562
 1814   2HE   LYS  90          3HE       LYS  90  -3.291  -3.869 -10.843
 1815   1HZ   LYS  90          HZ1       LYS  90  -1.411  -4.970  -8.815
 1816   2HZ   LYS  90          HZ2       LYS  90  -0.949  -4.447 -10.350
 1817   3HZ   LYS  90          HZ3       LYS  90  -1.594  -3.344  -9.241
 1818    H    THR  91           H        THR  91  -5.252  -0.143  -8.871
 1819    HA   THR  91           HA       THR  91  -2.942  -0.632 -10.249
 1820    HB   THR  91           HB       THR  91  -3.375   2.210  -9.988
 1821    HG1  THR  91           HG1      THR  91  -5.675   1.743 -10.933
 1822   1HG2  THR  91          1HG2      THR  91  -2.545   0.741 -11.956
 1823   2HG2  THR  91          2HG2      THR  91  -4.259   0.476 -12.274
 1824   3HG2  THR  91          3HG2      THR  91  -3.598   2.112 -12.311
 1825    H    ALA  92           H        ALA  92  -3.281   1.629  -7.490
 1826    HA   ALA  92           HA       ALA  92  -0.354   1.738  -7.368
 1827   1HB   ALA  92          1HB       ALA  92  -2.519   3.611  -6.602
 1828   2HB   ALA  92          2HB       ALA  92  -1.036   3.643  -5.647
 1829   3HB   ALA  92          3HB       ALA  92  -0.970   3.924  -7.387
 1830    H    ALA  93           H        ALA  93  -3.139   1.454  -5.169
 1831    HA   ALA  93           HA       ALA  93  -1.503   0.824  -2.931
 1832   1HB   ALA  93          1HB       ALA  93  -3.928   1.859  -3.131
 1833   2HB   ALA  93          2HB       ALA  93  -4.389   0.176  -2.874
 1834   3HB   ALA  93          3HB       ALA  93  -3.383   1.007  -1.686
 1835    H    ARG  94           H        ARG  94  -3.654  -1.114  -4.956
 1836    HA   ARG  94           HA       ARG  94  -3.836  -3.351  -5.331
 1837   1HB   ARG  94          2HB       ARG  94  -1.282  -3.418  -5.058
 1838   2HB   ARG  94          3HB       ARG  94  -1.600  -3.944  -3.410
 1839   1HG   ARG  94          2HG       ARG  94  -2.267  -6.001  -4.048
 1840   2HG   ARG  94          3HG       ARG  94  -3.037  -5.415  -5.525
 1841   1HD   ARG  94          2HD       ARG  94  -1.286  -6.511  -6.466
 1842   2HD   ARG  94          3HD       ARG  94  -0.499  -4.958  -6.185
 1843    HE   ARG  94           HE       ARG  94  -0.287  -6.979  -4.089
 1844   1HH1  ARG  94          1HH1      ARG  94   1.195  -5.463  -6.875
 1845   2HH1  ARG  94          2HH1      ARG  94   2.815  -5.770  -6.328
 1846   1HH2  ARG  94          1HH2      ARG  94   1.847  -7.425  -3.397
 1847   2HH2  ARG  94          2HH2      ARG  94   3.187  -6.899  -4.359
 1848    H    ALA  95           H        ALA  95  -5.760  -2.804  -4.176
 1849    HA   ALA  95           HA       ALA  95  -6.110  -3.202  -1.406
 1850   1HB   ALA  95          1HB       ALA  95  -7.579  -1.986  -3.173
 1851   2HB   ALA  95          2HB       ALA  95  -8.331  -3.572  -3.358
 1852   3HB   ALA  95          3HB       ALA  95  -8.336  -2.771  -1.786
 1853    H    ALA  96           H        ALA  96  -5.339  -5.443  -3.648
 1854    HA   ALA  96           HA       ALA  96  -7.097  -7.554  -3.366
 1855   1HB   ALA  96          1HB       ALA  96  -4.536  -7.123  -4.515
 1856   2HB   ALA  96          2HB       ALA  96  -4.494  -8.638  -3.617
 1857   3HB   ALA  96          3HB       ALA  96  -5.707  -8.391  -4.872
 1858    H    LEU  97           H        LEU  97  -4.592  -6.474  -1.186
 1859    HA   LEU  97           HA       LEU  97  -4.640  -8.882   0.396
 1860   1HB   LEU  97          2HB       LEU  97  -3.202  -6.320   0.469
 1861   2HB   LEU  97          3HB       LEU  97  -3.561  -6.999   2.047
 1862    HG   LEU  97           HG       LEU  97  -1.364  -7.713   1.375
 1863   1HD1  LEU  97          1HD1      LEU  97  -2.838  -9.322   2.575
 1864   2HD1  LEU  97          2HD1      LEU  97  -3.250 -10.036   1.015
 1865   3HD1  LEU  97          3HD1      LEU  97  -1.585 -10.086   1.596
 1866   1HD2  LEU  97          1HD2      LEU  97  -2.707  -8.175  -1.199
 1867   2HD2  LEU  97          2HD2      LEU  97  -1.037  -7.726  -0.850
 1868   3HD2  LEU  97          3HD2      LEU  97  -1.542  -9.412  -0.725
 1869    H    ALA  98           H        ALA  98  -6.295  -5.801   0.400
 1870    HA   ALA  98           HA       ALA  98  -7.381  -6.091   3.023
 1871   1HB   ALA  98          1HB       ALA  98  -7.057  -3.938   1.647
 1872   2HB   ALA  98          2HB       ALA  98  -8.589  -4.370   0.887
 1873   3HB   ALA  98          3HB       ALA  98  -8.513  -4.098   2.628
 1874    H    GLY  99           H        GLY  99  -8.430  -6.919  -0.225
 1875   1HA   GLY  99          1HA       GLY  99 -11.082  -7.611   0.738
 1876   2HA   GLY  99          2HA       GLY  99 -10.558  -7.572  -0.936
 1877    H    LYS 100           H        LYS 100  -8.572  -9.331  -1.143
 1878    HA   LYS 100           HA       LYS 100 -10.002 -11.677  -1.320
 1879   1HB   LYS 100          2HB       LYS 100  -8.248 -12.484  -2.486
 1880   2HB   LYS 100          3HB       LYS 100  -7.701 -10.817  -2.399
 1881   1HG   LYS 100          2HG       LYS 100  -6.002 -11.303  -0.985
 1882   2HG   LYS 100          3HG       LYS 100  -6.886 -12.605  -0.187
 1883   1HD   LYS 100          2HD       LYS 100  -6.543 -13.486  -2.801
 1884   2HD   LYS 100          3HD       LYS 100  -5.008 -12.721  -2.384
 1885   1HE   LYS 100          2HE       LYS 100  -4.624 -14.830  -1.599
 1886   2HE   LYS 100          3HE       LYS 100  -5.316 -14.086  -0.158
 1887   1HZ   LYS 100          HZ1       LYS 100  -7.494 -15.012  -1.489
 1888   2HZ   LYS 100          HZ2       LYS 100  -6.339 -16.214  -1.793
 1889   3HZ   LYS 100          HZ3       LYS 100  -6.719 -15.795  -0.191
 1890    H    THR 101           H        THR 101  -8.047 -10.570   1.327
 1891    HA   THR 101           HA       THR 101  -7.832 -13.084   2.658
 1892    HB   THR 101           HB       THR 101  -7.776 -10.488   4.151
 1893    HG1  THR 101           HG1      THR 101  -6.278  -9.753   2.848
 1894   1HG2  THR 101          1HG2      THR 101  -7.303 -12.867   5.080
 1895   2HG2  THR 101          2HG2      THR 101  -5.760 -12.706   4.242
 1896   3HG2  THR 101          3HG2      THR 101  -6.206 -11.551   5.499
 1897    H    LEU 102           H        LEU 102 -10.138 -10.434   2.684
 1898    HA   LEU 102           HA       LEU 102 -11.581 -11.167   4.975
 1899   1HB   LEU 102          2HB       LEU 102 -12.186  -9.518   2.558
 1900   2HB   LEU 102          3HB       LEU 102 -13.467  -9.886   3.699
 1901    HG   LEU 102           HG       LEU 102 -10.915  -8.385   4.270
 1902   1HD1  LEU 102          1HD1      LEU 102 -13.771  -7.633   3.889
 1903   2HD1  LEU 102          2HD1      LEU 102 -12.771  -6.700   5.002
 1904   3HD1  LEU 102          3HD1      LEU 102 -12.307  -6.840   3.306
 1905   1HD2  LEU 102          1HD2      LEU 102 -11.586  -9.898   6.127
 1906   2HD2  LEU 102          2HD2      LEU 102 -11.656  -8.186   6.544
 1907   3HD2  LEU 102          3HD2      LEU 102 -13.140  -9.069   6.185
 1908    H    ARG 103           H        ARG 103 -12.143 -11.955   1.551
 1909    HA   ARG 103           HA       ARG 103 -14.515 -13.420   2.036
 1910   1HB   ARG 103          2HB       ARG 103 -14.071 -14.421  -0.236
 1911   2HB   ARG 103          3HB       ARG 103 -14.181 -12.669  -0.177
 1912   1HG   ARG 103          2HG       ARG 103 -12.019 -12.377  -0.748
 1913   2HG   ARG 103          3HG       ARG 103 -11.481 -13.839   0.076
 1914   1HD   ARG 103          2HD       ARG 103 -13.237 -14.185  -2.271
 1915   2HD   ARG 103          3HD       ARG 103 -11.601 -13.612  -2.577
 1916    HE   ARG 103           HE       ARG 103 -10.744 -15.637  -1.828
 1917   1HH1  ARG 103          1HH1      ARG 103 -14.251 -15.560  -1.576
 1918   2HH1  ARG 103          2HH1      ARG 103 -14.392 -17.273  -1.317
 1919   1HH2  ARG 103          1HH2      ARG 103 -10.941 -17.895  -1.503
 1920   2HH2  ARG 103          2HH2      ARG 103 -12.522 -18.598  -1.267
 1921    H    GLU 104           H        GLU 104 -11.175 -14.208   2.278
 1922    HA   GLU 104           HA       GLU 104 -11.441 -17.054   2.371
 1923   1HB   GLU 104          2HB       GLU 104  -9.293 -15.089   3.065
 1924   2HB   GLU 104          3HB       GLU 104  -9.152 -16.752   3.613
 1925   1HG   GLU 104          2HG       GLU 104  -9.682 -17.237   1.061
 1926   2HG   GLU 104          3HG       GLU 104  -8.978 -15.630   0.880
 1927    H    TYR 105           H        TYR 105 -12.513 -14.681   4.417
 1928    HA   TYR 105           HA       TYR 105 -12.258 -16.408   6.788
 1929   1HB   TYR 105          HB2       TYR 105 -12.693 -13.418   6.648
 1930   2HB   TYR 105          HB3       TYR 105 -12.714 -14.364   8.135
 1931    HD1  TYR 105           HD1      TYR 105 -10.428 -16.248   7.132
 1932    HD2  TYR 105           HD2      TYR 105 -10.847 -12.025   7.395
 1933    HE1  TYR 105           HE1      TYR 105  -7.989 -16.026   7.296
 1934    HE2  TYR 105           HE2      TYR 105  -8.406 -11.792   7.559
 1935    HH   TYR 105           HH       TYR 105  -6.415 -13.846   8.448
 1936    H    GLY 106           H        GLY 106 -14.411 -15.379   4.438
 1937   1HA   GLY 106          1HA       GLY 106 -16.494 -16.763   4.672
 1938   2HA   GLY 106          2HA       GLY 106 -16.683 -15.975   6.229
 1939    H    PHE 107           H        PHE 107 -15.459 -13.748   4.053
 1940    HA   PHE 107           HA       PHE 107 -17.869 -12.262   4.003
 1941   1HB   PHE 107          2HB       PHE 107 -15.150 -11.943   2.858
 1942   2HB   PHE 107          3HB       PHE 107 -16.446 -11.048   2.071
 1943    HD1  PHE 107           HD1      PHE 107 -15.228 -11.777   5.526
 1944    HD2  PHE 107           HD2      PHE 107 -16.852  -8.919   2.821
 1945    HE1  PHE 107           HE1      PHE 107 -15.088 -10.046   7.271
 1946    HE2  PHE 107           HE2      PHE 107 -16.712  -7.185   4.561
 1947    HZ   PHE 107           HZ       PHE 107 -15.832  -7.749   6.790
 1948    H    LYS 108           H        LYS 108 -19.442 -12.113   2.525
 1949    HA   LYS 108           HA       LYS 108 -19.966 -14.290   0.892
 1950   1HB   LYS 108          2HB       LYS 108 -21.222 -11.700   1.460
 1951   2HB   LYS 108          3HB       LYS 108 -21.597 -12.334  -0.136
 1952   1HG   LYS 108          2HG       LYS 108 -22.149 -14.522   1.115
 1953   2HG   LYS 108          3HG       LYS 108 -22.218 -13.493   2.547
 1954   1HD   LYS 108          2HD       LYS 108 -23.680 -12.216   0.468
 1955   2HD   LYS 108          3HD       LYS 108 -24.203 -13.900   0.557
 1956   1HE   LYS 108          2HE       LYS 108 -24.906 -13.696   2.764
 1957   2HE   LYS 108          3HE       LYS 108 -23.932 -12.252   3.041
 1958   1HZ   LYS 108          HZ1       LYS 108 -26.268 -12.330   1.209
 1959   2HZ   LYS 108          HZ2       LYS 108 -26.364 -11.840   2.830
 1960   3HZ   LYS 108          HZ3       LYS 108 -25.419 -10.959   1.732
 1961    H    THR 109           H        THR 109 -20.044 -11.092  -0.579
 1962    HA   THR 109           HA       THR 109 -18.503 -12.184  -2.832
 1963    HB   THR 109           HB       THR 109 -20.240  -9.827  -3.268
 1964    HG1  THR 109           HG1      THR 109 -21.281 -12.456  -2.829
 1965   1HG2  THR 109          1HG2      THR 109 -19.511 -12.337  -4.758
 1966   2HG2  THR 109          2HG2      THR 109 -20.803 -11.270  -5.308
 1967   3HG2  THR 109          3HG2      THR 109 -19.153 -10.664  -5.184
 1968    H    ILE 110           H        ILE 110 -16.559 -11.315  -3.064
 1969    HA   ILE 110           HA       ILE 110 -16.175  -8.562  -2.114
 1970    HB   ILE 110           HB       ILE 110 -15.002 -10.560  -0.923
 1971   1HG1  ILE 110          2HG1      ILE 110 -12.881  -8.664  -1.327
 1972   2HG1  ILE 110          3HG1      ILE 110 -14.434  -7.833  -1.242
 1973   1HG2  ILE 110          1HG2      ILE 110 -13.849 -10.808  -3.488
 1974   2HG2  ILE 110          2HG2      ILE 110 -12.586 -10.266  -2.384
 1975   3HG2  ILE 110          3HG2      ILE 110 -13.494 -11.734  -2.029
 1976   1HD1  ILE 110          1HD1      ILE 110 -13.913  -9.916   0.791
 1977   2HD1  ILE 110          2HD1      ILE 110 -12.995  -8.415   0.911
 1978   3HD1  ILE 110          3HD1      ILE 110 -14.758  -8.374   0.930
 1979    H    TYR 111           H        TYR 111 -15.516  -7.086  -3.520
 1980    HA   TYR 111           HA       TYR 111 -14.694  -8.031  -6.188
 1981   1HB   TYR 111          HB2       TYR 111 -15.840  -5.299  -5.694
 1982   2HB   TYR 111          HB3       TYR 111 -15.843  -6.248  -7.174
 1983    HD1  TYR 111           HD1      TYR 111 -17.426  -5.922  -3.828
 1984    HD2  TYR 111           HD2      TYR 111 -17.668  -7.645  -7.720
 1985    HE1  TYR 111           HE1      TYR 111 -19.738  -6.624  -3.372
 1986    HE2  TYR 111           HE2      TYR 111 -19.980  -8.345  -7.266
 1987    HH   TYR 111           HH       TYR 111 -21.899  -7.287  -5.446
 1988    H    ASN 112           H        ASN 112 -13.007  -6.956  -7.250
 1989    HA   ASN 112           HA       ASN 112 -11.507  -5.026  -5.596
 1990   1HB   ASN 112          2HB       ASN 112 -10.438  -7.359  -6.268
 1991   2HB   ASN 112          3HB       ASN 112 -10.151  -6.530  -7.797
 1992   1HD2  ASN 112          1HD2      ASN 112  -8.675  -7.363  -5.091
 1993   2HD2  ASN 112          2HD2      ASN 112  -7.574  -6.039  -4.900
 1994    H    SER 113           H        SER 113 -10.873  -3.131  -6.596
 1995    HA   SER 113           HA       SER 113 -12.402  -2.488  -8.962
 1996   1HB   SER 113          2HB       SER 113 -10.602  -0.689  -7.339
 1997   2HB   SER 113          3HB       SER 113 -11.860  -0.194  -8.476
 1998    HG   SER 113           HG       SER 113 -12.465  -1.818  -6.248
 1999    H    GLU 114           H        GLU 114 -11.574  -3.102 -10.815
 2000    HA   GLU 114           HA       GLU 114  -8.746  -3.219 -11.311
 2001   1HB   GLU 114          2HB       GLU 114  -9.787  -3.654 -13.739
 2002   2HB   GLU 114          3HB       GLU 114  -9.722  -4.892 -12.491
 2003   1HG   GLU 114          2HG       GLU 114 -11.971  -4.783 -12.067
 2004   2HG   GLU 114          3HG       GLU 114 -12.111  -3.123 -12.638
 2005    H    GLY 115           H        GLY 115 -10.113  -0.550 -10.860
 2006   1HA   GLY 115          1HA       GLY 115  -9.189   0.745 -13.349
 2007   2HA   GLY 115          2HA       GLY 115 -10.483   1.391 -12.346
 2008    H    GLY 116           H        GLY 116  -9.764   1.742  -9.980
 2009   1HA   GLY 116          1HA       GLY 116  -7.707   2.234  -8.630
 2010   2HA   GLY 116          2HA       GLY 116  -7.136   3.086 -10.062
 2011    H    MET 117           H        MET 117  -7.202   4.492  -7.768
 2012    HA   MET 117           HA       MET 117  -9.629   5.786  -7.174
 2013   1HB   MET 117          2HB       MET 117  -7.609   5.799  -5.712
 2014   2HB   MET 117          3HB       MET 117  -6.828   6.886  -6.852
 2015   1HG   MET 117          2HG       MET 117  -9.400   7.912  -6.084
 2016   2HG   MET 117          3HG       MET 117  -8.417   7.567  -4.663
 2017   1HE   MET 117          1HE       MET 117  -6.966   8.788  -3.724
 2018   2HE   MET 117          2HE       MET 117  -5.994  10.133  -4.324
 2019   3HE   MET 117          3HE       MET 117  -7.684  10.391  -3.894
 2020    H    ASP 118           H        ASP 118  -7.130   6.411  -9.538
 2021    HA   ASP 118           HA       ASP 118  -7.927   8.980 -10.347
 2022   1HB   ASP 118          2HB       ASP 118  -6.488   8.700 -12.185
 2023   2HB   ASP 118          3HB       ASP 118  -5.770   7.716 -10.915
 2024    H    LYS 119           H        LYS 119  -9.142   5.780 -11.135
 2025    HA   LYS 119           HA       LYS 119 -10.670   6.597 -13.392
 2026   1HB   LYS 119          2HB       LYS 119 -10.161   4.155 -11.905
 2027   2HB   LYS 119          3HB       LYS 119 -11.855   4.302 -12.347
 2028   1HG   LYS 119          2HG       LYS 119 -10.394   3.072 -13.978
 2029   2HG   LYS 119          3HG       LYS 119 -11.348   4.397 -14.651
 2030   1HD   LYS 119          2HD       LYS 119  -9.504   5.417 -15.363
 2031   2HD   LYS 119          3HD       LYS 119  -8.828   5.401 -13.733
 2032   1HE   LYS 119          2HE       LYS 119  -8.651   2.775 -14.827
 2033   2HE   LYS 119          3HE       LYS 119  -7.998   3.921 -15.997
 2034   1HZ   LYS 119          HZ1       LYS 119  -6.905   4.808 -13.718
 2035   2HZ   LYS 119          HZ2       LYS 119  -6.971   3.143 -13.405
 2036   3HZ   LYS 119          HZ3       LYS 119  -6.145   3.715 -14.771
 2037    H    TRP 120           H        TRP 120 -11.225   6.435  -9.936
 2038    HA   TRP 120           HA       TRP 120 -14.033   6.669  -9.944
 2039   1HB   TRP 120          HB2       TRP 120 -12.437   6.208  -7.958
 2040   2HB   TRP 120          HB3       TRP 120 -12.277   7.959  -7.865
 2041    HD1  TRP 120           HD1      TRP 120 -14.220   9.296  -6.798
 2042    HE1  TRP 120           HE1      TRP 120 -16.413   8.665  -5.614
 2043    HE3  TRP 120           HE3      TRP 120 -14.324   4.306  -7.917
 2044    HZ2  TRP 120           HZ2      TRP 120 -17.961   6.350  -5.186
 2045    HZ3  TRP 120           HZ3      TRP 120 -16.196   2.955  -7.069
 2046    HH2  TRP 120           HH2      TRP 120 -17.972   3.955  -5.728
 2047    H    LEU 121           H        LEU 121 -11.503   9.193  -9.657
 2048    HA   LEU 121           HA       LEU 121 -13.261  11.379  -9.820
 2049   1HB   LEU 121          2HB       LEU 121 -10.356  10.905  -9.972
 2050   2HB   LEU 121          3HB       LEU 121 -10.909  12.327 -10.829
 2051    HG   LEU 121           HG       LEU 121 -11.121  11.757  -7.867
 2052   1HD1  LEU 121          1HD1      LEU 121  -9.053  12.778  -9.086
 2053   2HD1  LEU 121          2HD1      LEU 121 -10.045  14.235  -9.130
 2054   3HD1  LEU 121          3HD1      LEU 121  -9.643  13.489  -7.583
 2055   1HD2  LEU 121          1HD2      LEU 121 -13.255  12.687  -8.639
 2056   2HD2  LEU 121          2HD2      LEU 121 -12.355  13.851  -7.664
 2057   3HD2  LEU 121          3HD2      LEU 121 -12.394  14.014  -9.421
 2058    H    GLU 122           H        GLU 122 -11.456   9.577 -12.284
 2059    HA   GLU 122           HA       GLU 122 -11.949  11.295 -14.445
 2060   1HB   GLU 122          2HB       GLU 122 -10.240   9.738 -14.774
 2061   2HB   GLU 122          3HB       GLU 122 -11.227   8.391 -14.226
 2062   1HG   GLU 122          2HG       GLU 122 -12.428   8.316 -16.249
 2063   2HG   GLU 122          3HG       GLU 122 -11.813   9.886 -16.763
 2064    H    GLU 123           H        GLU 123 -13.750   8.459 -13.324
 2065    HA   GLU 123           HA       GLU 123 -15.574   8.455 -15.499
 2066   1HB   GLU 123          2HB       GLU 123 -15.380   7.041 -12.887
 2067   2HB   GLU 123          3HB       GLU 123 -16.933   7.034 -13.712
 2068   1HG   GLU 123          2HG       GLU 123 -14.315   5.936 -14.691
 2069   2HG   GLU 123          3HG       GLU 123 -15.808   5.063 -14.355
 2070    H    GLY 124           H        GLY 124 -15.282  10.719 -13.192
 2071   1HA   GLY 124          1HA       GLY 124 -16.649  12.503 -12.670
 2072   2HA   GLY 124          2HA       GLY 124 -17.871  11.810 -13.728
 2073    H    LEU 125           H        LEU 125 -16.473   9.964 -11.157
 2074    HA   LEU 125           HA       LEU 125 -19.078   9.639  -9.971
 2075   1HB   LEU 125          2HB       LEU 125 -16.389   8.474  -9.231
 2076   2HB   LEU 125          3HB       LEU 125 -17.911   8.032  -8.478
 2077    HG   LEU 125           HG       LEU 125 -17.153   7.578 -11.367
 2078   1HD1  LEU 125          1HD1      LEU 125 -16.724   6.054  -8.998
 2079   2HD1  LEU 125          2HD1      LEU 125 -17.869   5.204 -10.038
 2080   3HD1  LEU 125          3HD1      LEU 125 -16.288   5.672 -10.665
 2081   1HD2  LEU 125          1HD2      LEU 125 -19.695   6.893  -9.890
 2082   2HD2  LEU 125          2HD2      LEU 125 -19.522   8.080 -11.183
 2083   3HD2  LEU 125          3HD2      LEU 125 -19.283   6.366 -11.524
 2084    HA   PRO 126           HA       PRO 126 -18.986  12.678  -6.866
 2085   1HB   PRO 126          2HB       PRO 126 -19.844  11.221  -4.665
 2086   2HB   PRO 126          3HB       PRO 126 -20.897  11.935  -5.888
 2087   1HG   PRO 126          2HG       PRO 126 -19.880   9.134  -5.660
 2088   2HG   PRO 126          3HG       PRO 126 -21.497   9.708  -6.121
 2089   1HD   PRO 126          2HD       PRO 126 -19.784   8.860  -7.971
 2090   2HD   PRO 126          3HD       PRO 126 -20.807  10.282  -8.276
 2091    H    SER 127           H        SER 127 -17.356  13.550  -5.814
 2092    HA   SER 127           HA       SER 127 -15.501  11.783  -4.365
 2093   1HB   SER 127          2HB       SER 127 -14.370  14.351  -5.055
 2094   2HB   SER 127          3HB       SER 127 -13.814  12.736  -5.507
 2095    HG   SER 127           HG       SER 127 -15.619  12.868  -7.119
 2096    H    LEU 128           H        LEU 128 -14.829  12.397  -2.351
 2097    HA   LEU 128           HA       LEU 128 -16.311  14.585  -1.075
 2098   1HB   LEU 128          2HB       LEU 128 -15.626  11.961  -0.258
 2099   2HB   LEU 128          3HB       LEU 128 -14.666  13.052   0.721
 2100    HG   LEU 128           HG       LEU 128 -17.601  13.544   0.461
 2101   1HD1  LEU 128          1HD1      LEU 128 -17.072  11.083   1.024
 2102   2HD1  LEU 128          2HD1      LEU 128 -16.525  11.720   2.576
 2103   3HD1  LEU 128          3HD1      LEU 128 -18.193  11.970   2.058
 2104   1HD2  LEU 128          1HD2      LEU 128 -16.008  15.123   1.592
 2105   2HD2  LEU 128          2HD2      LEU 128 -17.345  14.559   2.593
 2106   3HD2  LEU 128          3HD2      LEU 128 -15.736  13.868   2.801
 2107    H    ASP 129           H        ASP 129 -15.197  16.392  -1.477
 2108    HA   ASP 129           HA       ASP 129 -12.321  16.427  -0.841
 2109   1HB   ASP 129          2HB       ASP 129 -12.619  16.452  -3.255
 2110   2HB   ASP 129          3HB       ASP 129 -13.769  17.776  -3.130
 2111    H    ARG 130           H        ARG 130 -11.532  18.302   0.171
 2112    HA   ARG 130           HA       ARG 130 -13.367  19.617   1.843
 2113   1HB   ARG 130          2HB       ARG 130 -10.453  20.004   1.237
 2114   2HB   ARG 130          3HB       ARG 130 -11.304  21.090   2.327
 2115   1HG   ARG 130          2HG       ARG 130 -11.181  19.641   3.996
 2116   2HG   ARG 130          3HG       ARG 130 -11.810  18.329   2.995
 2117   1HD   ARG 130          2HD       ARG 130  -9.777  17.429   3.102
 2118   2HD   ARG 130          3HD       ARG 130  -9.248  18.735   2.041
 2119    HE   ARG 130           HE       ARG 130  -9.216  19.098   4.963
 2120   1HH1  ARG 130          1HH1      ARG 130  -7.523  18.955   1.896
 2121   2HH1  ARG 130          2HH1      ARG 130  -6.028  19.550   2.545
 2122   1HH2  ARG 130          1HH2      ARG 130  -7.255  19.862   5.826
 2123   2HH2  ARG 130          2HH2      ARG 130  -5.865  20.049   4.794
 2124    H    SER 131           H        SER 131 -11.969  20.479  -1.240
 2125    HA   SER 131           HA       SER 131 -12.561  23.243  -1.159
 2126   1HB   SER 131          2HB       SER 131 -12.657  21.936  -3.799
 2127   2HB   SER 131          3HB       SER 131 -11.675  23.293  -3.241
 2128    HG   SER 131           HG       SER 131 -11.136  20.566  -3.236
 2129    H    HIS 132           H        HIS 132 -14.145  24.300  -2.604
 2130    HA   HIS 132           HA       HIS 132 -16.290  24.736  -3.274
 2131   1HB   HIS 132          2HB       HIS 132 -16.539  21.750  -3.053
 2132   2HB   HIS 132          3HB       HIS 132 -17.983  22.743  -3.212
 2133    HD1  HIS 132           HD1      HIS 132 -15.392  21.107  -5.160
 2134    HD2  HIS 132           HD2      HIS 132 -17.945  24.352  -5.676
 2135    HE1  HIS 132           HE1      HIS 132 -15.444  21.546  -7.636
 2136    HE2  HIS 132           HE2      HIS 132 -17.144  23.382  -7.938
 2137    H    HIS 133           H        HIS 133 -15.087  24.034  -0.459
 2138    HA   HIS 133           HA       HIS 133 -17.481  24.897   0.999
 2139   1HB   HIS 133          2HB       HIS 133 -15.482  22.925   2.141
 2140   2HB   HIS 133          3HB       HIS 133 -16.975  23.478   2.888
 2141    HD1  HIS 133           HD1      HIS 133 -15.602  20.908   0.655
 2142    HD2  HIS 133           HD2      HIS 133 -19.350  22.399   1.655
 2143    HE1  HIS 133           HE1      HIS 133 -17.249  19.200  -0.170
 2144    HE2  HIS 133           HE2      HIS 133 -19.510  20.231   0.253
 2145    H    HIS 134           H        HIS 134 -16.314  25.240   3.465
 2146    HA   HIS 134           HA       HIS 134 -15.077  26.714   4.676
 2147   1HB   HIS 134          2HB       HIS 134 -13.284  25.203   3.032
 2148   2HB   HIS 134          3HB       HIS 134 -12.651  26.835   3.210
 2149    HD1  HIS 134           HD1      HIS 134 -11.205  27.133   5.179
 2150    HD2  HIS 134           HD2      HIS 134 -13.995  24.097   5.759
 2151    HE1  HIS 134           HE1      HIS 134 -10.684  26.148   7.437
 2152    HE2  HIS 134           HE2      HIS 134 -12.437  24.376   7.811
 2153    H    HIS 135           H        HIS 135 -16.750  27.941   2.835
 2154    HA   HIS 135           HA       HIS 135 -15.230  30.035   1.518
 2155   1HB   HIS 135          2HB       HIS 135 -17.799  28.874   1.153
 2156   2HB   HIS 135          3HB       HIS 135 -18.041  30.577   1.532
 2157    HD1  HIS 135           HD1      HIS 135 -16.292  32.197  -0.010
 2158    HD2  HIS 135           HD2      HIS 135 -17.450  28.480  -1.487
 2159    HE1  HIS 135           HE1      HIS 135 -15.902  32.298  -2.493
 2160    HE2  HIS 135           HE2      HIS 135 -16.590  30.038  -3.370
 2161    H    HIS 136           H        HIS 136 -17.366  29.605   4.273
 2162    HA   HIS 136           HA       HIS 136 -16.697  32.347   5.109
 2163   1HB   HIS 136          2HB       HIS 136 -18.735  32.550   6.252
 2164   2HB   HIS 136          3HB       HIS 136 -19.175  31.746   4.754
 2165    HD1  HIS 136           HD1      HIS 136 -20.073  29.338   4.918
 2166    HD2  HIS 136           HD2      HIS 136 -19.043  31.005   8.587
 2167    HE1  HIS 136           HE1      HIS 136 -21.028  27.793   6.660
 2168    HE2  HIS 136           HE2      HIS 136 -20.294  28.756   8.872
 2169    H    HIS 137           H        HIS 137 -15.590  32.637   6.926
 2170    HA   HIS 137           HA       HIS 137 -14.427  30.342   8.189
 2171   1HB   HIS 137          2HB       HIS 137 -12.831  31.961   8.232
 2172   2HB   HIS 137          3HB       HIS 137 -14.010  33.263   8.189
 2173    HD1  HIS 137           HD1      HIS 137 -14.743  34.279  10.434
 2174    HD2  HIS 137           HD2      HIS 137 -12.018  31.155  10.807
 2175    HE1  HIS 137           HE1      HIS 137 -13.943  34.350  12.819
 2176    HE2  HIS 137           HE2      HIS 137 -12.153  32.581  12.960
  Start of MODEL    6
    1   1H    ALA   1           H1       ALA   1 -24.012 -12.208  12.984
    2   2H    ALA   1           H2       ALA   1 -22.883 -11.318  12.075
    3   3H    ALA   1           H3       ALA   1 -22.500 -11.836  13.642
    4    HA   ALA   1           HA       ALA   1 -24.482  -9.788  12.850
    5   1HB   ALA   1          1HB       ALA   1 -24.278 -11.415  15.294
    6   2HB   ALA   1          2HB       ALA   1 -24.452  -9.679  15.553
    7   3HB   ALA   1          3HB       ALA   1 -25.659 -10.556  14.611
    8    H    ASP   2           H        ASP   2 -21.678 -10.663  14.810
    9    HA   ASP   2           HA       ASP   2 -20.336  -8.218  14.044
   10   1HB   ASP   2          2HB       ASP   2 -19.784  -7.586  16.365
   11   2HB   ASP   2          3HB       ASP   2 -21.513  -7.501  16.064
   12    H    MET   3           H        MET   3 -19.725 -10.542  13.077
   13    HA   MET   3           HA       MET   3 -18.007 -12.136  14.713
   14   1HB   MET   3          2HB       MET   3 -18.870 -12.147  11.863
   15   2HB   MET   3          3HB       MET   3 -17.439 -13.070  12.297
   16   1HG   MET   3          2HG       MET   3 -18.894 -14.711  12.708
   17   2HG   MET   3          3HG       MET   3 -19.163 -13.860  14.227
   18   1HE   MET   3          1HE       MET   3 -20.250 -15.069  11.024
   19   2HE   MET   3          2HE       MET   3 -21.984 -14.766  10.923
   20   3HE   MET   3          3HE       MET   3 -20.842 -13.555  10.341
   21    H    GLY   4           H        GLY   4 -17.403  -9.192  13.833
   22   1HA   GLY   4          1HA       GLY   4 -15.064  -9.062  12.360
   23   2HA   GLY   4          2HA       GLY   4 -15.486  -7.932  13.636
   24    H    GLU   5           H        GLU   5 -15.486  -9.964  15.686
   25    HA   GLU   5           HA       GLU   5 -12.757  -9.879  16.484
   26   1HB   GLU   5          2HB       GLU   5 -15.085 -11.480  17.552
   27   2HB   GLU   5          3HB       GLU   5 -13.509 -11.386  18.326
   28   1HG   GLU   5          2HG       GLU   5 -14.144  -8.751  18.001
   29   2HG   GLU   5          3HG       GLU   5 -15.716  -9.484  18.325
   30    H    LYS   6           H        LYS   6 -14.737 -12.245  14.893
   31    HA   LYS   6           HA       LYS   6 -13.086 -14.490  15.326
   32   1HB   LYS   6          2HB       LYS   6 -15.174 -13.974  13.207
   33   2HB   LYS   6          3HB       LYS   6 -14.415 -15.534  13.487
   34   1HG   LYS   6          2HG       LYS   6 -15.792 -14.124  15.727
   35   2HG   LYS   6          3HG       LYS   6 -16.729 -15.019  14.527
   36   1HD   LYS   6          2HD       LYS   6 -14.700 -16.765  15.164
   37   2HD   LYS   6          3HD       LYS   6 -15.060 -15.994  16.711
   38   1HE   LYS   6          2HE       LYS   6 -17.274 -17.010  14.977
   39   2HE   LYS   6          3HE       LYS   6 -16.368 -18.123  16.002
   40   1HZ   LYS   6          HZ1       LYS   6 -17.029 -15.948  17.586
   41   2HZ   LYS   6          HZ2       LYS   6 -18.435 -16.337  16.720
   42   3HZ   LYS   6          HZ3       LYS   6 -17.669 -17.515  17.669
   43    H    PHE   7           H        PHE   7 -13.553 -12.596  12.309
   44    HA   PHE   7           HA       PHE   7 -11.402 -14.020  11.094
   45   1HB   PHE   7          2HB       PHE   7 -11.729 -12.325   9.202
   46   2HB   PHE   7          3HB       PHE   7 -13.039 -13.436   9.559
   47    HD1  PHE   7           HD1      PHE   7 -11.888  -9.988  10.386
   48    HD2  PHE   7           HD2      PHE   7 -15.163 -12.617   9.730
   49    HE1  PHE   7           HE1      PHE   7 -13.433  -8.082  10.506
   50    HE2  PHE   7           HE2      PHE   7 -16.717 -10.715   9.852
   51    HZ   PHE   7           HZ       PHE   7 -15.851  -8.441  10.235
   52    H    ASP   8           H        ASP   8 -11.621 -10.974  12.744
   53    HA   ASP   8           HA       ASP   8  -9.418  -9.626  11.744
   54   1HB   ASP   8          2HB       ASP   8 -10.536  -8.303  13.248
   55   2HB   ASP   8          3HB       ASP   8 -10.799  -9.623  14.381
   56    H    ALA   9           H        ALA   9  -9.483 -12.069  14.317
   57    HA   ALA   9           HA       ALA   9  -6.750 -12.059  14.941
   58   1HB   ALA   9          1HB       ALA   9  -9.002 -13.966  15.303
   59   2HB   ALA   9          2HB       ALA   9  -7.358 -14.556  15.551
   60   3HB   ALA   9          3HB       ALA   9  -7.962 -13.202  16.505
   61    H    THR  10           H        THR  10  -8.599 -13.883  12.536
   62    HA   THR  10           HA       THR  10  -6.437 -15.490  11.661
   63    HB   THR  10           HB       THR  10  -8.484 -14.939   9.641
   64    HG1  THR  10           HG1      THR  10 -10.154 -15.956  10.923
   65   1HG2  THR  10          1HG2      THR  10  -6.947 -17.143  10.723
   66   2HG2  THR  10          2HG2      THR  10  -8.645 -17.576  10.523
   67   3HG2  THR  10          3HG2      THR  10  -7.718 -16.980   9.146
   68    H    PHE  11           H        PHE  11  -7.836 -12.451  10.453
   69    HA   PHE  11           HA       PHE  11  -6.324 -12.099   8.153
   70   1HB   PHE  11          2HB       PHE  11  -8.227 -10.648   9.352
   71   2HB   PHE  11          3HB       PHE  11  -6.828  -9.716   9.873
   72    HD1  PHE  11           HD1      PHE  11  -5.199  -8.952   8.010
   73    HD2  PHE  11           HD2      PHE  11  -9.190 -10.239   7.298
   74    HE1  PHE  11           HE1      PHE  11  -5.195  -7.760   5.856
   75    HE2  PHE  11           HE2      PHE  11  -9.194  -9.053   5.143
   76    HZ   PHE  11           HZ       PHE  11  -7.195  -7.813   4.420
   77    H    LYS  12           H        LYS  12  -5.605 -11.140  11.469
   78    HA   LYS  12           HA       LYS  12  -3.050 -10.025  10.930
   79   1HB   LYS  12          2HB       LYS  12  -4.781 -10.213  13.118
   80   2HB   LYS  12          3HB       LYS  12  -3.321 -11.057  13.608
   81   1HG   LYS  12          2HG       LYS  12  -2.462  -9.081  14.122
   82   2HG   LYS  12          3HG       LYS  12  -2.418  -8.726  12.392
   83   1HD   LYS  12          2HD       LYS  12  -3.740  -6.996  12.943
   84   2HD   LYS  12          3HD       LYS  12  -5.016  -8.214  12.964
   85   1HE   LYS  12          2HE       LYS  12  -3.682  -8.257  15.477
   86   2HE   LYS  12          3HE       LYS  12  -4.089  -6.586  15.095
   87   1HZ   LYS  12          HZ1       LYS  12  -6.369  -7.878  14.459
   88   2HZ   LYS  12          HZ2       LYS  12  -5.819  -8.795  15.776
   89   3HZ   LYS  12          HZ3       LYS  12  -6.065  -7.131  15.951
   90    H    ALA  13           H        ALA  13  -4.200 -13.240  11.474
   91    HA   ALA  13           HA       ALA  13  -1.694 -14.411  12.211
   92   1HB   ALA  13          1HB       ALA  13  -3.982 -15.406  12.636
   93   2HB   ALA  13          2HB       ALA  13  -4.013 -15.843  10.927
   94   3HB   ALA  13          3HB       ALA  13  -2.769 -16.510  11.987
   95    H    GLN  14           H        GLN  14  -3.476 -13.967   9.206
   96    HA   GLN  14           HA       GLN  14  -1.583 -15.349   7.564
   97   1HB   GLN  14          2HB       GLN  14  -3.846 -13.447   6.994
   98   2HB   GLN  14          3HB       GLN  14  -2.791 -14.029   5.713
   99   1HG   GLN  14          2HG       GLN  14  -3.479 -16.352   6.925
  100   2HG   GLN  14          3HG       GLN  14  -4.938 -15.392   7.163
  101   1HE2  GLN  14          1HE2      GLN  14  -6.369 -15.939   5.683
  102   2HE2  GLN  14          2HE2      GLN  14  -6.057 -16.191   4.001
  103    H    VAL  15           H        VAL  15  -2.298 -11.931   8.166
  104    HA   VAL  15           HA       VAL  15  -0.352 -10.929   6.434
  105    HB   VAL  15           HB       VAL  15  -2.240  -9.850   8.344
  106   1HG1  VAL  15          1HG1      VAL  15   0.459  -8.548   8.207
  107   2HG1  VAL  15          2HG1      VAL  15  -1.007  -7.638   8.575
  108   3HG1  VAL  15          3HG1      VAL  15  -0.497  -8.956   9.630
  109   1HG2  VAL  15          1HG2      VAL  15  -1.920  -9.709   5.713
  110   2HG2  VAL  15          2HG2      VAL  15  -2.755  -8.451   6.622
  111   3HG2  VAL  15          3HG2      VAL  15  -1.071  -8.227   6.152
  112    H    LYS  16           H        LYS  16  -0.115 -11.766   9.865
  113    HA   LYS  16           HA       LYS  16   2.346 -10.499  10.378
  114   1HB   LYS  16          2HB       LYS  16   0.647 -12.476  11.709
  115   2HB   LYS  16          3HB       LYS  16   2.361 -12.696  12.039
  116   1HG   LYS  16          2HG       LYS  16   2.536 -10.738  13.188
  117   2HG   LYS  16          3HG       LYS  16   1.255  -9.954  12.261
  118   1HD   LYS  16          2HD       LYS  16  -0.204 -10.414  13.870
  119   2HD   LYS  16          3HD       LYS  16   0.118 -12.139  13.679
  120   1HE   LYS  16          2HE       LYS  16   2.240 -11.585  15.116
  121   2HE   LYS  16          3HE       LYS  16   1.287 -10.185  15.609
  122   1HZ   LYS  16          HZ1       LYS  16   0.046 -12.845  15.709
  123   2HZ   LYS  16          HZ2       LYS  16   1.153 -12.418  16.922
  124   3HZ   LYS  16          HZ3       LYS  16  -0.241 -11.484  16.678
  125    H    ALA  17           H        ALA  17   1.564 -13.533   8.861
  126    HA   ALA  17           HA       ALA  17   4.098 -14.758   9.044
  127   1HB   ALA  17          1HB       ALA  17   2.074 -16.002   8.480
  128   2HB   ALA  17          2HB       ALA  17   1.958 -15.129   6.952
  129   3HB   ALA  17          3HB       ALA  17   3.316 -16.215   7.247
  130    H    ALA  18           H        ALA  18   2.834 -12.276   6.988
  131    HA   ALA  18           HA       ALA  18   4.750 -12.547   4.896
  132   1HB   ALA  18          1HB       ALA  18   2.469 -11.442   4.751
  133   2HB   ALA  18          2HB       ALA  18   3.214 -10.045   5.525
  134   3HB   ALA  18          3HB       ALA  18   3.806 -10.607   3.962
  135    H    LYS  19           H        LYS  19   4.675 -10.736   7.921
  136    HA   LYS  19           HA       LYS  19   7.111  -9.294   7.303
  137   1HB   LYS  19          2HB       LYS  19   6.789  -8.130   9.246
  138   2HB   LYS  19          3HB       LYS  19   5.130  -8.602   8.914
  139   1HG   LYS  19          2HG       LYS  19   5.141 -10.242  10.582
  140   2HG   LYS  19          3HG       LYS  19   6.903 -10.249  10.686
  141   1HD   LYS  19          2HD       LYS  19   6.117  -7.614  11.236
  142   2HD   LYS  19          3HD       LYS  19   4.990  -8.643  12.121
  143   1HE   LYS  19          2HE       LYS  19   6.756  -9.733  13.277
  144   2HE   LYS  19          3HE       LYS  19   7.974  -9.022  12.221
  145   1HZ   LYS  19          HZ1       LYS  19   6.237  -7.406  14.001
  146   2HZ   LYS  19          HZ2       LYS  19   7.759  -7.986  14.470
  147   3HZ   LYS  19          HZ3       LYS  19   7.630  -6.899  13.177
  148    H    ALA  20           H        ALA  20   6.119 -12.265   8.587
  149    HA   ALA  20           HA       ALA  20   8.557 -12.824  10.051
  150   1HB   ALA  20          1HB       ALA  20   5.927 -13.875  10.013
  151   2HB   ALA  20          2HB       ALA  20   7.042 -15.191   9.645
  152   3HB   ALA  20          3HB       ALA  20   7.245 -14.251  11.123
  153    H    ASP  21           H        ASP  21   7.424 -13.182   6.859
  154    HA   ASP  21           HA       ASP  21   8.782 -15.519   6.093
  155   1HB   ASP  21          2HB       ASP  21   6.911 -13.953   4.943
  156   2HB   ASP  21          3HB       ASP  21   8.332 -13.443   4.038
  157    H    MET  22           H        MET  22   9.892 -12.288   6.522
  158    HA   MET  22           HA       MET  22  12.477 -13.063   5.347
  159   1HB   MET  22          2HB       MET  22  12.716 -10.539   4.871
  160   2HB   MET  22          3HB       MET  22  11.709 -11.500   3.799
  161   1HG   MET  22          2HG       MET  22   9.776 -10.756   5.345
  162   2HG   MET  22          3HG       MET  22  10.900  -9.499   5.857
  163   1HE   MET  22          1HE       MET  22  12.549  -8.866   3.862
  164   2HE   MET  22          2HE       MET  22  12.104  -9.087   2.169
  165   3HE   MET  22          3HE       MET  22  11.800  -7.542   2.968
  166    H    VAL  23           H        VAL  23  14.171 -11.267   6.096
  167    HA   VAL  23           HA       VAL  23  14.287 -11.524   8.967
  168    HB   VAL  23           HB       VAL  23  16.221 -10.040   7.178
  169   1HG1  VAL  23          1HG1      VAL  23  16.283 -11.010  10.004
  170   2HG1  VAL  23          2HG1      VAL  23  17.782 -10.871   9.087
  171   3HG1  VAL  23          3HG1      VAL  23  16.770  -9.449   9.342
  172   1HG2  VAL  23          1HG2      VAL  23  15.963 -12.961   7.787
  173   2HG2  VAL  23          2HG2      VAL  23  16.250 -12.165   6.239
  174   3HG2  VAL  23          3HG2      VAL  23  17.539 -12.250   7.440
  175    H    MET  24           H        MET  24  13.101 -10.164  10.147
  176    HA   MET  24           HA       MET  24  12.462  -7.517   9.222
  177   1HB   MET  24          2HB       MET  24  11.661  -9.245  11.487
  178   2HB   MET  24          3HB       MET  24  11.583  -7.511  11.772
  179   1HG   MET  24          2HG       MET  24  10.425  -8.004   9.246
  180   2HG   MET  24          3HG       MET  24   9.755  -9.179  10.376
  181   1HE   MET  24          1HE       MET  24  10.011  -5.630   9.171
  182   2HE   MET  24          2HE       MET  24   8.441  -6.322   8.765
  183   3HE   MET  24          3HE       MET  24   8.540  -4.931   9.847
  184    H    LEU  25           H        LEU  25  13.658  -5.774   9.508
  185    HA   LEU  25           HA       LEU  25  15.424  -5.603  11.843
  186   1HB   LEU  25          2HB       LEU  25  16.121  -5.619   8.997
  187   2HB   LEU  25          3HB       LEU  25  16.769  -4.242   9.864
  188    HG   LEU  25           HG       LEU  25  17.376  -7.152  10.236
  189   1HD1  LEU  25          1HD1      LEU  25  18.661  -4.898   9.095
  190   2HD1  LEU  25          2HD1      LEU  25  19.585  -5.390  10.514
  191   3HD1  LEU  25          3HD1      LEU  25  19.258  -6.553   9.229
  192   1HD2  LEU  25          1HD2      LEU  25  17.909  -4.966  12.244
  193   2HD2  LEU  25          2HD2      LEU  25  16.810  -6.330  12.460
  194   3HD2  LEU  25          3HD2      LEU  25  18.545  -6.610  12.314
  195    H    SER  26           H        SER  26  15.649  -3.558  12.681
  196    HA   SER  26           HA       SER  26  13.587  -1.675  12.052
  197   1HB   SER  26          2HB       SER  26  15.836  -0.801  13.766
  198   2HB   SER  26          3HB       SER  26  14.098  -0.742  14.066
  199    HG   SER  26           HG       SER  26  14.160  -2.660  14.969
  200    HA   PRO  27           HA       PRO  27  15.394   0.662   8.818
  201   1HB   PRO  27          2HB       PRO  27  14.790   3.224   9.837
  202   2HB   PRO  27          3HB       PRO  27  13.807   2.256   8.737
  203   1HG   PRO  27          2HG       PRO  27  13.626   2.533  11.696
  204   2HG   PRO  27          3HG       PRO  27  12.332   2.345  10.499
  205   1HD   PRO  27          2HD       PRO  27  13.038   0.294  12.019
  206   2HD   PRO  27          3HD       PRO  27  12.700   0.041  10.295
  207    H    LYS  28           H        LYS  28  16.389   1.356  12.120
  208    HA   LYS  28           HA       LYS  28  18.608   3.012  11.333
  209   1HB   LYS  28          2HB       LYS  28  19.335   2.359  13.768
  210   2HB   LYS  28          3HB       LYS  28  18.026   3.499  13.498
  211   1HG   LYS  28          2HG       LYS  28  16.389   1.941  14.079
  212   2HG   LYS  28          3HG       LYS  28  17.496   0.578  13.899
  213   1HD   LYS  28          2HD       LYS  28  18.426   0.890  15.947
  214   2HD   LYS  28          3HD       LYS  28  18.236   2.643  15.882
  215   1HE   LYS  28          2HE       LYS  28  15.641   1.702  15.940
  216   2HE   LYS  28          3HE       LYS  28  16.498   0.619  17.035
  217   1HZ   LYS  28          HZ1       LYS  28  17.447   2.999  17.798
  218   2HZ   LYS  28          HZ2       LYS  28  15.877   3.437  17.323
  219   3HZ   LYS  28          HZ3       LYS  28  16.108   2.242  18.511
  220    H    ASP  29           H        ASP  29  18.125  -0.335  12.339
  221    HA   ASP  29           HA       ASP  29  20.835  -1.172  12.030
  222   1HB   ASP  29          2HB       ASP  29  18.607  -2.290  13.148
  223   2HB   ASP  29          3HB       ASP  29  18.704  -3.185  11.634
  224    H    ALA  30           H        ALA  30  18.101  -0.812   9.967
  225    HA   ALA  30           HA       ALA  30  19.112  -2.367   7.787
  226   1HB   ALA  30          1HB       ALA  30  16.706  -1.970   8.086
  227   2HB   ALA  30          2HB       ALA  30  16.960  -0.259   7.740
  228   3HB   ALA  30          3HB       ALA  30  17.279  -1.468   6.495
  229    H    TYR  31           H        TYR  31  18.951   1.116   8.527
  230    HA   TYR  31           HA       TYR  31  20.245   1.950   6.143
  231   1HB   TYR  31          HB2       TYR  31  18.943   3.549   7.381
  232   2HB   TYR  31          HB3       TYR  31  19.917   3.308   8.823
  233    HD1  TYR  31           HD1      TYR  31  20.259   4.375   5.271
  234    HD2  TYR  31           HD2      TYR  31  21.622   4.843   9.274
  235    HE1  TYR  31           HE1      TYR  31  21.713   6.213   4.550
  236    HE2  TYR  31           HE2      TYR  31  23.089   6.687   8.561
  237    HH   TYR  31           HH       TYR  31  24.152   7.547   6.563
  238    H    LYS  32           H        LYS  32  21.385   0.760   9.197
  239    HA   LYS  32           HA       LYS  32  24.015   1.699   9.172
  240   1HB   LYS  32          2HB       LYS  32  22.704   0.404  10.990
  241   2HB   LYS  32          3HB       LYS  32  23.287  -1.037  10.169
  242   1HG   LYS  32          2HG       LYS  32  25.158  -0.894  11.320
  243   2HG   LYS  32          3HG       LYS  32  25.514   0.639  10.521
  244   1HD   LYS  32          2HD       LYS  32  23.612   1.223  12.498
  245   2HD   LYS  32          3HD       LYS  32  24.780   0.138  13.257
  246   1HE   LYS  32          2HE       LYS  32  26.140   1.875  13.508
  247   2HE   LYS  32          3HE       LYS  32  26.292   1.953  11.754
  248   1HZ   LYS  32          HZ1       LYS  32  24.013   3.252  13.105
  249   2HZ   LYS  32          HZ2       LYS  32  25.516   4.029  13.044
  250   3HZ   LYS  32          HZ3       LYS  32  24.717   3.617  11.605
  251    H    LEU  33           H        LEU  33  22.740  -1.406   7.982
  252    HA   LEU  33           HA       LEU  33  25.216  -2.131   6.737
  253   1HB   LEU  33          2HB       LEU  33  23.659  -3.847   5.555
  254   2HB   LEU  33          3HB       LEU  33  24.011  -4.016   7.263
  255    HG   LEU  33           HG       LEU  33  21.732  -2.531   7.355
  256   1HD1  LEU  33          1HD1      LEU  33  21.790  -3.152   4.725
  257   2HD1  LEU  33          2HD1      LEU  33  20.897  -4.530   5.366
  258   3HD1  LEU  33          3HD1      LEU  33  20.308  -2.890   5.649
  259   1HD2  LEU  33          1HD2      LEU  33  22.466  -4.737   8.470
  260   2HD2  LEU  33          2HD2      LEU  33  20.745  -4.434   8.245
  261   3HD2  LEU  33          3HD2      LEU  33  21.600  -5.515   7.144
  262    H    LEU  34           H        LEU  34  22.394  -0.376   5.794
  263    HA   LEU  34           HA       LEU  34  22.551  -0.556   3.001
  264   1HB   LEU  34          2HB       LEU  34  21.245   1.164   4.972
  265   2HB   LEU  34          3HB       LEU  34  21.637   1.995   3.480
  266    HG   LEU  34           HG       LEU  34  20.187  -0.619   3.398
  267   1HD1  LEU  34          1HD1      LEU  34  18.964   2.096   3.874
  268   2HD1  LEU  34          2HD1      LEU  34  18.066   0.645   3.426
  269   3HD1  LEU  34          3HD1      LEU  34  18.920   0.712   4.968
  270   1HD2  LEU  34          1HD2      LEU  34  20.291   1.815   1.622
  271   2HD2  LEU  34          2HD2      LEU  34  21.010   0.236   1.303
  272   3HD2  LEU  34          3HD2      LEU  34  19.255   0.415   1.345
  273    H    GLN  35           H        GLN  35  23.769   1.992   5.170
  274    HA   GLN  35           HA       GLN  35  25.100   3.342   3.055
  275   1HB   GLN  35          2HB       GLN  35  25.702   4.956   4.629
  276   2HB   GLN  35          3HB       GLN  35  24.187   4.323   5.252
  277   1HG   GLN  35          2HG       GLN  35  25.229   4.064   7.190
  278   2HG   GLN  35          3HG       GLN  35  26.105   2.729   6.443
  279   1HE2  GLN  35          1HE2      GLN  35  27.896   3.127   7.775
  280   2HE2  GLN  35          2HE2      GLN  35  28.966   4.459   7.471
  281    H    GLU  36           H        GLU  36  26.045   0.833   5.278
  282    HA   GLU  36           HA       GLU  36  28.859   1.219   4.922
  283   1HB   GLU  36          2HB       GLU  36  27.564   0.116   6.888
  284   2HB   GLU  36          3HB       GLU  36  27.572  -1.319   5.876
  285   1HG   GLU  36          2HG       GLU  36  30.134  -0.862   5.742
  286   2HG   GLU  36          3HG       GLU  36  29.839   0.069   7.211
  287    H    ASN  37           H        ASN  37  26.369  -0.900   3.617
  288    HA   ASN  37           HA       ASN  37  28.331  -1.950   1.686
  289   1HB   ASN  37          2HB       ASN  37  25.897  -3.254   2.913
  290   2HB   ASN  37          3HB       ASN  37  26.775  -3.932   1.552
  291   1HD2  ASN  37          1HD2      ASN  37  27.013  -3.007   4.914
  292   2HD2  ASN  37          2HD2      ASN  37  28.325  -4.056   5.317
  293    HA   PRO  38           HA       PRO  38  25.484   0.356  -1.025
  294   1HB   PRO  38          2HB       PRO  38  27.651  -0.019  -2.967
  295   2HB   PRO  38          3HB       PRO  38  26.937   1.479  -2.364
  296   1HG   PRO  38          2HG       PRO  38  29.428   0.720  -1.690
  297   2HG   PRO  38          3HG       PRO  38  28.374   1.594  -0.563
  298   1HD   PRO  38          2HD       PRO  38  28.992  -1.338  -0.692
  299   2HD   PRO  38          3HD       PRO  38  28.888  -0.272   0.727
  300    H    ASP  39           H        ASP  39  26.373  -2.764  -0.844
  301    HA   ASP  39           HA       ASP  39  25.393  -3.662  -3.431
  302   1HB   ASP  39          2HB       ASP  39  27.177  -4.755  -1.690
  303   2HB   ASP  39          3HB       ASP  39  25.708  -5.598  -1.213
  304    H    ILE  40           H        ILE  40  24.402  -3.287  -0.113
  305    HA   ILE  40           HA       ILE  40  21.837  -4.575  -0.548
  306    HB   ILE  40           HB       ILE  40  22.655  -3.016   1.898
  307   1HG1  ILE  40          2HG1      ILE  40  23.047  -5.985   1.507
  308   2HG1  ILE  40          3HG1      ILE  40  24.336  -4.813   1.257
  309   1HG2  ILE  40          1HG2      ILE  40  20.257  -4.078   1.212
  310   2HG2  ILE  40          2HG2      ILE  40  20.976  -5.415   2.111
  311   3HG2  ILE  40          3HG2      ILE  40  20.801  -3.834   2.872
  312   1HD1  ILE  40          1HD1      ILE  40  23.089  -4.413   3.816
  313   2HD1  ILE  40          2HD1      ILE  40  23.631  -6.081   3.632
  314   3HD1  ILE  40          3HD1      ILE  40  24.775  -4.754   3.423
  315    H    THR  41           H        THR  41  20.457  -3.444  -1.730
  316    HA   THR  41           HA       THR  41  20.346  -0.531  -1.484
  317    HB   THR  41           HB       THR  41  18.417  -1.507  -3.340
  318    HG1  THR  41           HG1      THR  41  20.941  -2.806  -3.410
  319   1HG2  THR  41          1HG2      THR  41  20.159   0.553  -3.181
  320   2HG2  THR  41          2HG2      THR  41  20.977  -0.470  -4.363
  321   3HG2  THR  41          3HG2      THR  41  19.328   0.079  -4.663
  322    H    LEU  42           H        LEU  42  18.419   0.587  -0.895
  323    HA   LEU  42           HA       LEU  42  16.449  -1.100   0.482
  324   1HB   LEU  42          2HB       LEU  42  17.343   0.661   1.892
  325   2HB   LEU  42          3HB       LEU  42  16.982   1.871   0.674
  326    HG   LEU  42           HG       LEU  42  14.508   1.004   1.032
  327   1HD1  LEU  42          1HD1      LEU  42  15.892  -0.456   2.989
  328   2HD1  LEU  42          2HD1      LEU  42  14.986   0.791   3.846
  329   3HD1  LEU  42          3HD1      LEU  42  14.147  -0.324   2.769
  330   1HD2  LEU  42          1HD2      LEU  42  15.681   3.276   1.564
  331   2HD2  LEU  42          2HD2      LEU  42  14.106   2.897   2.265
  332   3HD2  LEU  42          3HD2      LEU  42  15.574   2.712   3.233
  333    H    ILE  43           H        ILE  43  14.519  -1.385  -0.374
  334    HA   ILE  43           HA       ILE  43  13.719   0.360  -2.611
  335    HB   ILE  43           HB       ILE  43  12.902  -2.505  -2.076
  336   1HG1  ILE  43          2HG1      ILE  43  14.508  -1.379  -4.373
  337   2HG1  ILE  43          3HG1      ILE  43  15.239  -2.104  -2.945
  338   1HG2  ILE  43          1HG2      ILE  43  11.230  -0.828  -3.170
  339   2HG2  ILE  43          2HG2      ILE  43  12.263  -1.014  -4.589
  340   3HG2  ILE  43          3HG2      ILE  43  11.467  -2.421  -3.886
  341   1HD1  ILE  43          1HD1      ILE  43  13.401  -3.993  -3.810
  342   2HD1  ILE  43          2HD1      ILE  43  14.130  -3.364  -5.289
  343   3HD1  ILE  43          3HD1      ILE  43  15.152  -4.040  -4.019
  344    H    ASP  44           H        ASP  44  12.083   1.665  -2.177
  345    HA   ASP  44           HA       ASP  44  10.355   0.975   0.108
  346   1HB   ASP  44          2HB       ASP  44  11.503   3.030   0.538
  347   2HB   ASP  44          3HB       ASP  44  11.111   3.656  -1.060
  348    H    VAL  45           H        VAL  45   8.156   1.240  -0.046
  349    HA   VAL  45           HA       VAL  45   7.091   1.624  -2.769
  350    HB   VAL  45           HB       VAL  45   5.168   0.078  -1.522
  351   1HG1  VAL  45          1HG1      VAL  45   5.948   0.035  -3.886
  352   2HG1  VAL  45          2HG1      VAL  45   7.328  -0.933  -3.363
  353   3HG1  VAL  45          3HG1      VAL  45   5.690  -1.564  -3.185
  354   1HG2  VAL  45          1HG2      VAL  45   7.755  -0.552  -0.363
  355   2HG2  VAL  45          2HG2      VAL  45   6.144  -1.087   0.111
  356   3HG2  VAL  45          3HG2      VAL  45   7.019  -1.941  -1.159
  357    H    ARG  46           H        ARG  46   6.407   3.646  -2.580
  358    HA   ARG  46           HA       ARG  46   4.032   4.151  -1.035
  359   1HB   ARG  46          2HB       ARG  46   6.641   5.523  -0.435
  360   2HB   ARG  46          3HB       ARG  46   5.130   6.396  -0.239
  361   1HG   ARG  46          2HG       ARG  46   5.818   3.811   1.144
  362   2HG   ARG  46          3HG       ARG  46   5.963   5.418   1.857
  363   1HD   ARG  46          2HD       ARG  46   3.372   4.407   0.727
  364   2HD   ARG  46          3HD       ARG  46   3.857   4.067   2.389
  365    HE   ARG  46           HE       ARG  46   3.508   6.799   1.302
  366   1HH1  ARG  46          1HH1      ARG  46   3.169   4.462   3.887
  367   2HH1  ARG  46          2HH1      ARG  46   2.528   5.612   5.015
  368   1HH2  ARG  46          1HH2      ARG  46   2.696   8.309   2.776
  369   2HH2  ARG  46          2HH2      ARG  46   2.242   7.796   4.380
  370    H    ASP  47           H        ASP  47   3.771   6.850  -1.426
  371    HA   ASP  47           HA       ASP  47   3.914   7.053  -4.359
  372   1HB   ASP  47          2HB       ASP  47   1.733   7.395  -2.912
  373   2HB   ASP  47          3HB       ASP  47   2.401   9.007  -2.676
  374    HA   PRO  48           HA       PRO  48   7.333   9.821  -3.891
  375   1HB   PRO  48          2HB       PRO  48   7.122  11.003  -6.374
  376   2HB   PRO  48          3HB       PRO  48   7.931   9.466  -6.052
  377   1HG   PRO  48          2HG       PRO  48   5.188   9.982  -7.112
  378   2HG   PRO  48          3HG       PRO  48   6.357   8.734  -7.580
  379   1HD   PRO  48          2HD       PRO  48   4.248   8.197  -6.001
  380   2HD   PRO  48          3HD       PRO  48   5.809   7.378  -5.793
  381    H    ASP  49           H        ASP  49   4.092  10.854  -4.575
  382    HA   ASP  49           HA       ASP  49   4.621  13.661  -4.518
  383   1HB   ASP  49          2HB       ASP  49   2.503  12.308  -5.377
  384   2HB   ASP  49          3HB       ASP  49   1.936  12.626  -3.736
  385    H    GLU  50           H        GLU  50   3.266  11.399  -2.139
  386    HA   GLU  50           HA       GLU  50   3.277  13.339  -0.034
  387   1HB   GLU  50          2HB       GLU  50   3.013  11.132   1.363
  388   2HB   GLU  50          3HB       GLU  50   1.686  11.738   0.384
  389   1HG   GLU  50          2HG       GLU  50   1.594   9.783  -0.626
  390   2HG   GLU  50          3HG       GLU  50   3.199  10.084  -1.295
  391    H    LEU  51           H        LEU  51   5.463  11.050  -1.341
  392    HA   LEU  51           HA       LEU  51   7.333  10.812   0.782
  393   1HB   LEU  51          2HB       LEU  51   7.177   9.921  -1.860
  394   2HB   LEU  51          3HB       LEU  51   8.604  10.939  -1.820
  395    HG   LEU  51           HG       LEU  51   9.297   9.562   0.237
  396   1HD1  LEU  51          1HD1      LEU  51   6.783   8.424  -0.261
  397   2HD1  LEU  51          2HD1      LEU  51   7.979   7.202  -0.701
  398   3HD1  LEU  51          3HD1      LEU  51   7.992   7.908   0.917
  399   1HD2  LEU  51          1HD2      LEU  51  10.067   9.458  -2.268
  400   2HD2  LEU  51          2HD2      LEU  51  10.577   8.222  -1.117
  401   3HD2  LEU  51          3HD2      LEU  51   9.250   7.896  -2.231
  402    H    LYS  52           H        LYS  52   7.086  13.086  -1.918
  403    HA   LYS  52           HA       LYS  52   9.340  14.643  -1.237
  404   1HB   LYS  52          2HB       LYS  52   8.797  15.221  -3.345
  405   2HB   LYS  52          3HB       LYS  52   7.112  14.781  -3.130
  406   1HG   LYS  52          2HG       LYS  52   6.957  17.013  -1.815
  407   2HG   LYS  52          3HG       LYS  52   8.458  17.407  -2.654
  408   1HD   LYS  52          2HD       LYS  52   7.138  18.139  -4.306
  409   2HD   LYS  52          3HD       LYS  52   6.885  16.433  -4.679
  410   1HE   LYS  52          2HE       LYS  52   5.107  17.046  -2.597
  411   2HE   LYS  52          3HE       LYS  52   5.007  18.395  -3.730
  412   1HZ   LYS  52          HZ1       LYS  52   5.019  15.807  -5.000
  413   2HZ   LYS  52          HZ2       LYS  52   3.681  16.053  -3.984
  414   3HZ   LYS  52          HZ3       LYS  52   3.990  17.131  -5.250
  415    H    ALA  53           H        ALA  53   6.026  14.663  -0.148
  416    HA   ALA  53           HA       ALA  53   6.226  17.248   1.111
  417   1HB   ALA  53          1HB       ALA  53   4.133  16.126   0.136
  418   2HB   ALA  53          2HB       ALA  53   4.065  15.259   1.671
  419   3HB   ALA  53          3HB       ALA  53   3.980  17.020   1.650
  420    H    MET  54           H        MET  54   5.996  13.902   2.305
  421    HA   MET  54           HA       MET  54   6.276  14.844   5.031
  422   1HB   MET  54          2HB       MET  54   5.764  12.129   3.833
  423   2HB   MET  54          3HB       MET  54   5.993  12.369   5.560
  424   1HG   MET  54          2HG       MET  54   4.104  14.042   5.441
  425   2HG   MET  54          3HG       MET  54   3.800  13.439   3.814
  426   1HE   MET  54          1HE       MET  54   2.665  11.809   3.157
  427   2HE   MET  54          2HE       MET  54   3.046  10.198   3.758
  428   3HE   MET  54          3HE       MET  54   1.481  10.925   4.116
  429    H    GLY  55           H        GLY  55   8.219  13.045   2.720
  430   1HA   GLY  55          1HA       GLY  55  10.669  13.610   3.250
  431   2HA   GLY  55          2HA       GLY  55  10.313  12.737   4.729
  432    H    LYS  56           H        LYS  56  12.208  12.203   2.509
  433    HA   LYS  56           HA       LYS  56  11.405   9.421   2.084
  434   1HB   LYS  56          2HB       LYS  56  12.012   9.395  -0.189
  435   2HB   LYS  56          3HB       LYS  56  11.092  10.880  -0.009
  436   1HG   LYS  56          2HG       LYS  56  12.774  11.978  -0.933
  437   2HG   LYS  56          3HG       LYS  56  13.776  11.564   0.459
  438   1HD   LYS  56          2HD       LYS  56  14.773   9.787  -0.618
  439   2HD   LYS  56          3HD       LYS  56  13.417   9.559  -1.722
  440   1HE   LYS  56          2HE       LYS  56  14.075  11.374  -3.073
  441   2HE   LYS  56          3HE       LYS  56  15.159  12.006  -1.835
  442   1HZ   LYS  56          HZ1       LYS  56  16.575  10.051  -2.152
  443   2HZ   LYS  56          HZ2       LYS  56  15.551   9.500  -3.390
  444   3HZ   LYS  56          HZ3       LYS  56  16.415  10.944  -3.584
  445    HA   PRO  57           HA       PRO  57  15.275   8.536   3.960
  446   1HB   PRO  57          2HB       PRO  57  15.945   6.273   2.467
  447   2HB   PRO  57          3HB       PRO  57  14.992   6.297   3.953
  448   1HG   PRO  57          2HG       PRO  57  14.087   6.143   1.118
  449   2HG   PRO  57          3HG       PRO  57  13.374   5.415   2.567
  450   1HD   PRO  57          2HD       PRO  57  12.304   7.579   1.372
  451   2HD   PRO  57          3HD       PRO  57  12.241   7.348   3.131
  452    H    ASP  58           H        ASP  58  17.067   9.636   3.611
  453    HA   ASP  58           HA       ASP  58  18.054   9.983   0.883
  454   1HB   ASP  58          2HB       ASP  58  17.889  12.007   2.243
  455   2HB   ASP  58          3HB       ASP  58  18.925  11.287   3.473
  456    H    VAL  59           H        VAL  59  18.994   8.039   0.412
  457    HA   VAL  59           HA       VAL  59  21.477   7.514   1.872
  458    HB   VAL  59           HB       VAL  59  21.255   5.129   1.707
  459   1HG1  VAL  59          1HG1      VAL  59  19.408   6.731   3.215
  460   2HG1  VAL  59          2HG1      VAL  59  18.732   5.139   2.867
  461   3HG1  VAL  59          3HG1      VAL  59  20.291   5.276   3.683
  462   1HG2  VAL  59          1HG2      VAL  59  19.534   5.594  -0.372
  463   2HG2  VAL  59          2HG2      VAL  59  19.849   4.029   0.378
  464   3HG2  VAL  59          3HG2      VAL  59  18.464   4.991   0.896
  465    H    LYS  60           H        LYS  60  23.020   6.275   0.601
  466    HA   LYS  60           HA       LYS  60  23.494   7.470  -1.867
  467   1HB   LYS  60          2HB       LYS  60  25.070   5.262  -1.969
  468   2HB   LYS  60          3HB       LYS  60  25.478   6.738  -1.107
  469   1HG   LYS  60          2HG       LYS  60  25.121   5.806   0.942
  470   2HG   LYS  60          3HG       LYS  60  23.906   4.677   0.340
  471   1HD   LYS  60          2HD       LYS  60  25.533   3.155   0.554
  472   2HD   LYS  60          3HD       LYS  60  26.111   3.817  -0.977
  473   1HE   LYS  60          2HE       LYS  60  26.980   5.091   1.576
  474   2HE   LYS  60          3HE       LYS  60  27.721   3.568   1.088
  475   1HZ   LYS  60          HZ1       LYS  60  27.596   5.518  -1.028
  476   2HZ   LYS  60          HZ2       LYS  60  28.532   6.019   0.299
  477   3HZ   LYS  60          HZ3       LYS  60  28.898   4.570  -0.503
  478    H    ASN  61           H        ASN  61  22.083   4.357  -1.066
  479    HA   ASN  61           HA       ASN  61  21.484   3.950  -3.915
  480   1HB   ASN  61          2HB       ASN  61  21.770   1.482  -3.458
  481   2HB   ASN  61          3HB       ASN  61  23.248   2.431  -3.396
  482   1HD2  ASN  61          1HD2      ASN  61  23.174  -0.028  -2.274
  483   2HD2  ASN  61          2HD2      ASN  61  23.208   0.085  -0.548
  484    H    TYR  62           H        TYR  62  19.444   4.928  -3.474
  485    HA   TYR  62           HA       TYR  62  17.561   3.079  -2.153
  486   1HB   TYR  62          HB2       TYR  62  17.585   4.994  -0.772
  487   2HB   TYR  62          HB3       TYR  62  17.665   6.087  -2.147
  488    HD1  TYR  62           HD1      TYR  62  15.339   3.311  -1.212
  489    HD2  TYR  62           HD2      TYR  62  15.806   7.412  -2.229
  490    HE1  TYR  62           HE1      TYR  62  12.901   3.598  -1.134
  491    HE2  TYR  62           HE2      TYR  62  13.368   7.717  -2.149
  492    HH   TYR  62           HH       TYR  62  11.265   5.445  -0.793
  493    H    LYS  63           H        LYS  63  15.932   2.328  -3.420
  494    HA   LYS  63           HA       LYS  63  15.391   3.797  -5.905
  495   1HB   LYS  63          2HB       LYS  63  14.728   1.088  -6.344
  496   2HB   LYS  63          3HB       LYS  63  16.001   2.030  -7.102
  497   1HG   LYS  63          2HG       LYS  63  17.379   1.421  -5.028
  498   2HG   LYS  63          3HG       LYS  63  16.189   0.135  -4.813
  499   1HD   LYS  63          2HD       LYS  63  16.885   0.078  -7.520
  500   2HD   LYS  63          3HD       LYS  63  18.403   0.312  -6.655
  501   1HE   LYS  63          2HE       LYS  63  17.476  -1.610  -5.134
  502   2HE   LYS  63          3HE       LYS  63  16.489  -1.972  -6.549
  503   1HZ   LYS  63          HZ1       LYS  63  19.378  -1.576  -6.909
  504   2HZ   LYS  63          HZ2       LYS  63  18.836  -3.043  -6.258
  505   3HZ   LYS  63          HZ3       LYS  63  18.307  -2.549  -7.791
  506    H    HIS  64           H        HIS  64  13.377   4.470  -6.056
  507    HA   HIS  64           HA       HIS  64  11.323   3.337  -4.317
  508   1HB   HIS  64          2HB       HIS  64  11.825   5.900  -4.852
  509   2HB   HIS  64          3HB       HIS  64  10.760   5.572  -6.215
  510    HD1  HIS  64           HD1      HIS  64   9.007   7.211  -5.152
  511    HD2  HIS  64           HD2      HIS  64   9.879   3.846  -2.884
  512    HE1  HIS  64           HE1      HIS  64   7.218   7.102  -3.383
  513    HE2  HIS  64           HE2      HIS  64   7.994   5.254  -1.841
  514    H    MET  65           H        MET  65  10.112   1.714  -5.082
  515    HA   MET  65           HA       MET  65   9.711   1.567  -8.000
  516   1HB   MET  65          2HB       MET  65  10.583  -0.403  -6.034
  517   2HB   MET  65          3HB       MET  65   9.243  -0.974  -7.018
  518   1HG   MET  65          2HG       MET  65  11.021  -1.654  -8.272
  519   2HG   MET  65          3HG       MET  65  10.695  -0.077  -8.991
  520   1HE   MET  65          1HE       MET  65  12.002   1.411  -9.454
  521   2HE   MET  65          2HE       MET  65  13.121   2.196  -8.338
  522   3HE   MET  65          3HE       MET  65  13.729   1.072  -9.553
  523    H    SER  66           H        SER  66   7.741   2.412  -8.320
  524    HA   SER  66           HA       SER  66   5.615   1.859  -6.431
  525   1HB   SER  66          2HB       SER  66   4.741   3.499  -8.596
  526   2HB   SER  66          3HB       SER  66   5.053   3.966  -6.923
  527    HG   SER  66           HG       SER  66   6.333   4.957  -8.788
  528    H    ARG  67           H        ARG  67   4.610   2.509  -9.642
  529    HA   ARG  67           HA       ARG  67   3.192   1.439 -11.047
  530   1HB   ARG  67          2HB       ARG  67   5.370  -0.175 -10.966
  531   2HB   ARG  67          3HB       ARG  67   4.130  -1.291 -10.405
  532   1HG   ARG  67          2HG       ARG  67   4.218  -1.577 -12.728
  533   2HG   ARG  67          3HG       ARG  67   2.786  -0.589 -12.439
  534   1HD   ARG  67          2HD       ARG  67   5.281   0.907 -12.867
  535   2HD   ARG  67          3HD       ARG  67   4.711  -0.013 -14.259
  536    HE   ARG  67           HE       ARG  67   2.665   1.584 -13.003
  537   1HH1  ARG  67          1HH1      ARG  67   5.255   1.558 -15.367
  538   2HH1  ARG  67          2HH1      ARG  67   4.593   2.877 -16.286
  539   1HH2  ARG  67          1HH2      ARG  67   1.808   3.314 -14.196
  540   2HH2  ARG  67          2HH2      ARG  67   2.632   3.878 -15.622
  541    H    GLY  68           H        GLY  68   2.386  -1.555 -10.332
  542   1HA   GLY  68          1HA       GLY  68   0.303  -0.732  -8.464
  543   2HA   GLY  68          2HA       GLY  68   0.372  -2.245  -9.364
  544    H    LYS  69           H        LYS  69   2.930  -3.072  -8.809
  545    HA   LYS  69           HA       LYS  69   3.377  -2.933  -5.976
  546   1HB   LYS  69          2HB       LYS  69   1.831  -5.072  -6.948
  547   2HB   LYS  69          3HB       LYS  69   3.426  -5.734  -6.622
  548   1HG   LYS  69          2HG       LYS  69   1.340  -4.935  -4.779
  549   2HG   LYS  69          3HG       LYS  69   2.753  -5.955  -4.514
  550   1HD   LYS  69          2HD       LYS  69   3.758  -4.314  -3.392
  551   2HD   LYS  69          3HD       LYS  69   3.602  -3.235  -4.779
  552   1HE   LYS  69          2HE       LYS  69   1.086  -3.566  -3.385
  553   2HE   LYS  69          3HE       LYS  69   2.351  -2.975  -2.311
  554   1HZ   LYS  69          HZ1       LYS  69   2.799  -1.209  -3.945
  555   2HZ   LYS  69          HZ2       LYS  69   1.495  -1.746  -4.879
  556   3HZ   LYS  69          HZ3       LYS  69   1.225  -1.130  -3.323
  557    H    LEU  70           H        LEU  70   4.872  -1.973  -7.986
  558    HA   LEU  70           HA       LEU  70   7.028  -1.735  -8.566
  559   1HB   LEU  70          2HB       LEU  70   8.387  -2.095  -6.861
  560   2HB   LEU  70          3HB       LEU  70   7.018  -2.837  -6.063
  561    HG   LEU  70           HG       LEU  70   8.237  -4.873  -7.612
  562   1HD1  LEU  70          1HD1      LEU  70  10.139  -2.962  -7.222
  563   2HD1  LEU  70          2HD1      LEU  70  10.352  -3.978  -5.797
  564   3HD1  LEU  70          3HD1      LEU  70  10.461  -4.685  -7.408
  565   1HD2  LEU  70          1HD2      LEU  70   7.035  -4.834  -5.318
  566   2HD2  LEU  70          2HD2      LEU  70   8.339  -5.992  -5.586
  567   3HD2  LEU  70          3HD2      LEU  70   8.643  -4.515  -4.668
  568    H    GLU  71           H        GLU  71   5.549  -4.705  -9.139
  569    HA   GLU  71           HA       GLU  71   7.387  -6.439 -10.010
  570   1HB   GLU  71          2HB       GLU  71   5.245  -6.351 -11.974
  571   2HB   GLU  71          3HB       GLU  71   5.663  -7.604 -10.816
  572   1HG   GLU  71          2HG       GLU  71   3.700  -7.102  -9.881
  573   2HG   GLU  71          3HG       GLU  71   4.559  -5.727  -9.190
  574    HA   PRO  72           HA       PRO  72   7.835  -4.853 -14.497
  575   1HB   PRO  72          2HB       PRO  72   6.690  -2.162 -14.658
  576   2HB   PRO  72          3HB       PRO  72   6.377  -3.575 -15.669
  577   1HG   PRO  72          2HG       PRO  72   4.549  -2.618 -13.940
  578   2HG   PRO  72          3HG       PRO  72   4.698  -4.346 -14.302
  579   1HD   PRO  72          2HD       PRO  72   5.716  -2.813 -11.936
  580   2HD   PRO  72          3HD       PRO  72   4.916  -4.399 -11.990
  581    H    LEU  73           H        LEU  73   8.243  -2.701 -11.834
  582    HA   LEU  73           HA       LEU  73  10.396  -1.253 -13.184
  583   1HB   LEU  73          2HB       LEU  73   8.509  -0.624 -11.130
  584   2HB   LEU  73          3HB       LEU  73  10.123  -0.453 -10.467
  585    HG   LEU  73           HG       LEU  73   9.164   1.651 -11.411
  586   1HD1  LEU  73          1HD1      LEU  73  11.744   0.634 -11.606
  587   2HD1  LEU  73          2HD1      LEU  73  11.417   1.349 -13.186
  588   3HD1  LEU  73          3HD1      LEU  73  11.254   2.325 -11.726
  589   1HD2  LEU  73          1HD2      LEU  73   9.421   0.149 -14.009
  590   2HD2  LEU  73          2HD2      LEU  73   7.941   0.774 -13.285
  591   3HD2  LEU  73          3HD2      LEU  73   9.173   1.889 -13.875
  592    H    LEU  74           H        LEU  74   9.890  -3.889 -11.138
  593    HA   LEU  74           HA       LEU  74  12.103  -3.881  -9.446
  594   1HB   LEU  74          2HB       LEU  74  10.236  -5.421  -9.238
  595   2HB   LEU  74          3HB       LEU  74  10.626  -6.154 -10.778
  596    HG   LEU  74           HG       LEU  74  12.816  -6.902  -9.717
  597   1HD1  LEU  74          1HD1      LEU  74  12.409  -5.236  -7.764
  598   2HD1  LEU  74          2HD1      LEU  74  11.401  -6.528  -7.112
  599   3HD1  LEU  74          3HD1      LEU  74  13.112  -6.818  -7.426
  600   1HD2  LEU  74          1HD2      LEU  74  10.512  -8.150 -10.010
  601   2HD2  LEU  74          2HD2      LEU  74  11.851  -8.883  -9.130
  602   3HD2  LEU  74          3HD2      LEU  74  10.536  -8.111  -8.248
  603    H    ALA  75           H        ALA  75  11.734  -5.473 -12.597
  604    HA   ALA  75           HA       ALA  75  14.396  -6.315 -12.861
  605   1HB   ALA  75          1HB       ALA  75  12.063  -6.659 -14.268
  606   2HB   ALA  75          2HB       ALA  75  13.077  -5.754 -15.393
  607   3HB   ALA  75          3HB       ALA  75  13.648  -7.283 -14.725
  608    H    LYS  76           H        LYS  76  13.039  -3.207 -13.183
  609    HA   LYS  76           HA       LYS  76  14.985  -2.232 -15.081
  610   1HB   LYS  76          2HB       LYS  76  12.832  -0.796 -13.525
  611   2HB   LYS  76          3HB       LYS  76  13.827  -0.063 -14.774
  612   1HG   LYS  76          2HG       LYS  76  12.422  -2.509 -15.581
  613   2HG   LYS  76          3HG       LYS  76  11.385  -1.133 -15.191
  614   1HD   LYS  76          2HD       LYS  76  13.747  -0.913 -17.046
  615   2HD   LYS  76          3HD       LYS  76  12.136  -1.353 -17.612
  616   1HE   LYS  76          2HE       LYS  76  11.260   0.749 -16.664
  617   2HE   LYS  76          3HE       LYS  76  12.896   1.191 -16.177
  618   1HZ   LYS  76          HZ1       LYS  76  12.399   0.520 -18.993
  619   2HZ   LYS  76          HZ2       LYS  76  11.891   2.033 -18.420
  620   3HZ   LYS  76          HZ3       LYS  76  13.527   1.597 -18.321
  621    H    SER  77           H        SER  77  14.799  -2.468 -11.650
  622    HA   SER  77           HA       SER  77  16.661  -0.239 -11.307
  623   1HB   SER  77          2HB       SER  77  16.165  -1.122  -8.787
  624   2HB   SER  77          3HB       SER  77  15.178   0.075  -9.626
  625    HG   SER  77           HG       SER  77  13.692  -1.365  -9.102
  626    H    GLY  78           H        GLY  78  17.811  -2.395 -12.578
  627   1HA   GLY  78          1HA       GLY  78  19.545  -3.918 -12.460
  628   2HA   GLY  78          2HA       GLY  78  20.205  -2.687 -11.399
  629    H    LEU  79           H        LEU  79  17.880  -5.391 -11.253
  630    HA   LEU  79           HA       LEU  79  19.005  -6.003  -8.610
  631   1HB   LEU  79          2HB       LEU  79  16.212  -6.136  -9.661
  632   2HB   LEU  79          3HB       LEU  79  16.699  -7.217  -8.367
  633    HG   LEU  79           HG       LEU  79  17.237  -4.301  -8.090
  634   1HD1  LEU  79          1HD1      LEU  79  14.571  -5.631  -7.713
  635   2HD1  LEU  79          2HD1      LEU  79  15.012  -4.093  -6.969
  636   3HD1  LEU  79          3HD1      LEU  79  14.957  -4.239  -8.725
  637   1HD2  LEU  79          1HD2      LEU  79  17.702  -6.491  -6.512
  638   2HD2  LEU  79          2HD2      LEU  79  17.657  -4.817  -5.962
  639   3HD2  LEU  79          3HD2      LEU  79  16.217  -5.827  -5.831
  640    H    ASP  80           H        ASP  80  19.909  -7.872  -8.298
  641    HA   ASP  80           HA       ASP  80  19.351 -10.087 -10.142
  642   1HB   ASP  80          2HB       ASP  80  21.745  -8.671 -10.103
  643   2HB   ASP  80          3HB       ASP  80  22.085 -10.076  -9.099
  644    HA   PRO  81           HA       PRO  81  18.576 -12.297  -6.456
  645   1HB   PRO  81          2HB       PRO  81  19.196 -14.844  -7.173
  646   2HB   PRO  81          3HB       PRO  81  17.765 -13.988  -7.766
  647   1HG   PRO  81          2HG       PRO  81  20.424 -14.380  -9.089
  648   2HG   PRO  81          3HG       PRO  81  18.796 -14.546  -9.779
  649   1HD   PRO  81          2HD       PRO  81  20.284 -12.339 -10.172
  650   2HD   PRO  81          3HD       PRO  81  18.518 -12.258  -9.995
  651    H    GLU  82           H        GLU  82  21.553 -11.413  -7.030
  652    HA   GLU  82           HA       GLU  82  22.669 -13.110  -4.903
  653   1HB   GLU  82          2HB       GLU  82  24.879 -12.814  -5.846
  654   2HB   GLU  82          3HB       GLU  82  23.809 -13.477  -7.074
  655   1HG   GLU  82          2HG       GLU  82  24.494 -11.861  -8.423
  656   2HG   GLU  82          3HG       GLU  82  23.636 -10.718  -7.391
  657    H    LYS  83           H        LYS  83  21.316 -10.269  -5.411
  658    HA   LYS  83           HA       LYS  83  23.249  -8.710  -3.846
  659   1HB   LYS  83          2HB       LYS  83  20.900  -7.829  -5.530
  660   2HB   LYS  83          3HB       LYS  83  21.898  -6.742  -4.576
  661   1HG   LYS  83          2HG       LYS  83  23.638  -8.269  -6.193
  662   2HG   LYS  83          3HG       LYS  83  22.318  -7.703  -7.219
  663   1HD   LYS  83          2HD       LYS  83  22.889  -5.514  -6.978
  664   2HD   LYS  83          3HD       LYS  83  23.497  -5.743  -5.337
  665   1HE   LYS  83          2HE       LYS  83  24.879  -6.541  -7.896
  666   2HE   LYS  83          3HE       LYS  83  25.317  -5.196  -6.844
  667   1HZ   LYS  83          HZ1       LYS  83  25.597  -6.967  -5.057
  668   2HZ   LYS  83          HZ2       LYS  83  25.581  -8.097  -6.327
  669   3HZ   LYS  83          HZ3       LYS  83  26.776  -6.894  -6.274
  670    HA   PRO  84           HA       PRO  84  20.324  -8.968  -0.456
  671   1HB   PRO  84          2HB       PRO  84  21.892  -7.072   1.015
  672   2HB   PRO  84          3HB       PRO  84  21.833  -8.822   1.227
  673   1HG   PRO  84          2HG       PRO  84  24.034  -7.433   0.321
  674   2HG   PRO  84          3HG       PRO  84  23.731  -9.151   0.013
  675   1HD   PRO  84          2HD       PRO  84  23.256  -6.788  -1.761
  676   2HD   PRO  84          3HD       PRO  84  23.876  -8.406  -2.171
  677    H    VAL  85           H        VAL  85  18.600  -7.742   0.144
  678    HA   VAL  85           HA       VAL  85  18.641  -4.871  -0.418
  679    HB   VAL  85           HB       VAL  85  16.174  -5.391  -1.340
  680   1HG1  VAL  85          1HG1      VAL  85  18.800  -5.105  -2.703
  681   2HG1  VAL  85          2HG1      VAL  85  17.380  -5.464  -3.684
  682   3HG1  VAL  85          3HG1      VAL  85  17.413  -4.014  -2.677
  683   1HG2  VAL  85          1HG2      VAL  85  17.762  -7.865  -1.820
  684   2HG2  VAL  85          2HG2      VAL  85  16.050  -7.680  -1.438
  685   3HG2  VAL  85          3HG2      VAL  85  16.635  -7.316  -3.061
  686    H    VAL  86           H        VAL  86  17.118  -3.676   0.732
  687    HA   VAL  86           HA       VAL  86  15.535  -5.195   2.680
  688    HB   VAL  86           HB       VAL  86  17.218  -4.299   4.048
  689   1HG1  VAL  86          1HG1      VAL  86  17.032  -1.820   2.371
  690   2HG1  VAL  86          2HG1      VAL  86  17.840  -1.843   3.939
  691   3HG1  VAL  86          3HG1      VAL  86  18.418  -2.878   2.631
  692   1HG2  VAL  86          1HG2      VAL  86  14.631  -3.422   4.357
  693   2HG2  VAL  86          2HG2      VAL  86  15.912  -3.327   5.565
  694   3HG2  VAL  86          3HG2      VAL  86  15.579  -1.944   4.523
  695    H    VAL  87           H        VAL  87  13.463  -4.487   2.962
  696    HA   VAL  87           HA       VAL  87  12.582  -2.442   1.042
  697    HB   VAL  87           HB       VAL  87  10.326  -3.548   1.272
  698   1HG1  VAL  87          1HG1      VAL  87  12.733  -4.762   0.041
  699   2HG1  VAL  87          2HG1      VAL  87  11.259  -5.732   0.064
  700   3HG1  VAL  87          3HG1      VAL  87  11.263  -4.146  -0.712
  701   1HG2  VAL  87          1HG2      VAL  87  11.309  -4.760   3.455
  702   2HG2  VAL  87          2HG2      VAL  87   9.973  -5.412   2.506
  703   3HG2  VAL  87          3HG2      VAL  87  11.610  -6.020   2.259
  704    H    PHE  88           H        PHE  88  11.471  -0.690   1.706
  705    HA   PHE  88           HA       PHE  88  11.274  -0.337   4.604
  706   1HB   PHE  88          2HB       PHE  88  12.554   1.235   2.956
  707   2HB   PHE  88          3HB       PHE  88  10.954   1.884   2.606
  708    HD1  PHE  88           HD1      PHE  88  12.076   0.643   5.891
  709    HD2  PHE  88           HD2      PHE  88  11.260   4.072   3.501
  710    HE1  PHE  88           HE1      PHE  88  12.184   2.054   7.885
  711    HE2  PHE  88           HE2      PHE  88  11.368   5.484   5.498
  712    HZ   PHE  88           HZ       PHE  88  11.830   4.474   7.693
  713    H    CYS  89           H        CYS  89   9.455   1.001   5.450
  714    HA   CYS  89           HA       CYS  89   7.306   1.510   5.791
  715   1HB   CYS  89          2HB       CYS  89   7.784   2.211   3.180
  716   2HB   CYS  89          3HB       CYS  89   6.338   1.212   3.050
  717    H    LYS  90           H        LYS  90   6.193   0.076   6.923
  718    HA   LYS  90           HA       LYS  90   4.773  -1.994   5.424
  719   1HB   LYS  90          2HB       LYS  90   5.129  -3.653   7.224
  720   2HB   LYS  90          3HB       LYS  90   6.622  -3.209   6.413
  721   1HG   LYS  90          2HG       LYS  90   7.526  -2.753   8.376
  722   2HG   LYS  90          3HG       LYS  90   6.342  -1.470   8.613
  723   1HD   LYS  90          2HD       LYS  90   5.232  -4.105   9.138
  724   2HD   LYS  90          3HD       LYS  90   6.626  -3.750  10.159
  725   1HE   LYS  90          2HE       LYS  90   5.229  -1.402  10.254
  726   2HE   LYS  90          3HE       LYS  90   3.935  -2.593  10.165
  727   1HZ   LYS  90          HZ1       LYS  90   6.044  -3.228  12.052
  728   2HZ   LYS  90          HZ2       LYS  90   5.149  -1.834  12.430
  729   3HZ   LYS  90          HZ3       LYS  90   4.353  -3.319  12.229
  730    H    THR  91           H        THR  91   4.226   0.682   6.838
  731    HA   THR  91           HA       THR  91   2.174  -0.264   8.716
  732    HB   THR  91           HB       THR  91   2.399   2.545   8.878
  733    HG1  THR  91           HG1      THR  91   4.761   2.492   9.480
  734   1HG2  THR  91          1HG2      THR  91   2.527   0.237  10.549
  735   2HG2  THR  91          2HG2      THR  91   3.860   1.311  10.974
  736   3HG2  THR  91          3HG2      THR  91   2.202   1.910  11.003
  737    H    ALA  92           H        ALA  92   1.996  -0.051   5.701
  738    HA   ALA  92           HA       ALA  92  -0.688   0.775   5.538
  739   1HB   ALA  92          1HB       ALA  92   1.355   2.770   4.614
  740   2HB   ALA  92          2HB       ALA  92  -0.234   2.681   3.856
  741   3HB   ALA  92          3HB       ALA  92  -0.097   3.033   5.578
  742    H    ALA  93           H        ALA  93   2.103   1.057   3.336
  743    HA   ALA  93           HA       ALA  93   0.737  -0.325   1.232
  744   1HB   ALA  93          1HB       ALA  93   2.851   1.405   1.323
  745   2HB   ALA  93          2HB       ALA  93   3.640  -0.134   0.984
  746   3HB   ALA  93          3HB       ALA  93   2.368   0.457  -0.084
  747    H    ARG  94           H        ARG  94   3.384  -1.088   3.425
  748    HA   ARG  94           HA       ARG  94   4.134  -3.030   4.309
  749   1HB   ARG  94          2HB       ARG  94   1.733  -4.146   2.884
  750   2HB   ARG  94          3HB       ARG  94   2.911  -5.211   3.640
  751   1HG   ARG  94          2HG       ARG  94   2.066  -3.070   5.403
  752   2HG   ARG  94          3HG       ARG  94   0.720  -4.067   4.850
  753   1HD   ARG  94          2HD       ARG  94   1.423  -5.884   5.995
  754   2HD   ARG  94          3HD       ARG  94   3.128  -5.533   5.707
  755    HE   ARG  94           HE       ARG  94   3.033  -3.937   7.521
  756   1HH1  ARG  94          1HH1      ARG  94   0.304  -6.110   7.272
  757   2HH1  ARG  94          2HH1      ARG  94  -0.186  -5.897   8.929
  758   1HH2  ARG  94          1HH2      ARG  94   2.391  -3.659   9.697
  759   2HH2  ARG  94          2HH2      ARG  94   1.017  -4.526  10.309
  760    H    ALA  95           H        ALA  95   6.063  -2.823   3.296
  761    HA   ALA  95           HA       ALA  95   6.615  -3.531   0.618
  762   1HB   ALA  95          1HB       ALA  95   7.949  -2.235   2.591
  763   2HB   ALA  95          2HB       ALA  95   8.827  -3.762   2.519
  764   3HB   ALA  95          3HB       ALA  95   8.666  -2.768   1.071
  765    H    ALA  96           H        ALA  96   5.727  -5.507   3.096
  766    HA   ALA  96           HA       ALA  96   7.438  -7.712   2.946
  767   1HB   ALA  96          1HB       ALA  96   5.359  -7.175   4.477
  768   2HB   ALA  96          2HB       ALA  96   4.514  -8.149   3.272
  769   3HB   ALA  96          3HB       ALA  96   5.869  -8.837   4.171
  770    H    LEU  97           H        LEU  97   4.865  -6.619   0.843
  771    HA   LEU  97           HA       LEU  97   4.631  -8.990  -0.710
  772   1HB   LEU  97          2HB       LEU  97   3.700  -6.201  -0.896
  773   2HB   LEU  97          3HB       LEU  97   3.954  -6.988  -2.446
  774    HG   LEU  97           HG       LEU  97   1.644  -7.206  -1.786
  775   1HD1  LEU  97          1HD1      LEU  97   2.686  -9.059  -3.007
  776   2HD1  LEU  97          2HD1      LEU  97   3.083  -9.833  -1.472
  777   3HD1  LEU  97          3HD1      LEU  97   1.397  -9.610  -1.937
  778   1HD2  LEU  97          1HD2      LEU  97   2.801  -7.740   0.811
  779   2HD2  LEU  97          2HD2      LEU  97   1.153  -7.276   0.382
  780   3HD2  LEU  97          3HD2      LEU  97   1.626  -8.975   0.355
  781    H    ALA  98           H        ALA  98   6.749  -6.207  -0.799
  782    HA   ALA  98           HA       ALA  98   7.889  -6.820  -3.353
  783   1HB   ALA  98          1HB       ALA  98   8.662  -4.957  -1.125
  784   2HB   ALA  98          2HB       ALA  98   9.651  -5.159  -2.571
  785   3HB   ALA  98          3HB       ALA  98   7.999  -4.559  -2.709
  786    H    GLY  99           H        GLY  99   8.963  -7.140   0.006
  787   1HA   GLY  99          1HA       GLY  99  11.451  -8.307  -0.706
  788   2HA   GLY  99          2HA       GLY  99  10.789  -8.189   0.915
  789    H    LYS 100           H        LYS 100   8.590  -9.755   0.871
  790    HA   LYS 100           HA       LYS 100   9.780 -12.276   1.126
  791   1HB   LYS 100          2HB       LYS 100   7.887 -12.874   2.199
  792   2HB   LYS 100          3HB       LYS 100   7.546 -11.153   2.126
  793   1HG   LYS 100          2HG       LYS 100   5.840 -11.420   0.683
  794   2HG   LYS 100          3HG       LYS 100   6.636 -12.732  -0.189
  795   1HD   LYS 100          2HD       LYS 100   6.104 -13.732   2.374
  796   2HD   LYS 100          3HD       LYS 100   4.649 -12.859   1.889
  797   1HE   LYS 100          2HE       LYS 100   4.146 -14.820   0.891
  798   2HE   LYS 100          3HE       LYS 100   5.173 -14.180  -0.390
  799   1HZ   LYS 100          HZ1       LYS 100   6.889 -15.415   1.381
  800   2HZ   LYS 100          HZ2       LYS 100   5.563 -16.468   1.248
  801   3HZ   LYS 100          HZ3       LYS 100   6.406 -15.987  -0.144
  802    H    THR 101           H        THR 101   8.028 -10.837  -1.500
  803    HA   THR 101           HA       THR 101   7.639 -13.249  -2.978
  804    HB   THR 101           HB       THR 101   7.677 -10.392  -3.968
  805    HG1  THR 101           HG1      THR 101   5.861 -10.229  -2.917
  806   1HG2  THR 101          1HG2      THR 101   7.596 -12.705  -5.451
  807   2HG2  THR 101          2HG2      THR 101   5.889 -12.303  -5.257
  808   3HG2  THR 101          3HG2      THR 101   6.998 -11.127  -5.968
  809    H    LEU 102           H        LEU 102  10.137 -10.765  -2.827
  810    HA   LEU 102           HA       LEU 102  11.596 -11.637  -5.097
  811   1HB   LEU 102          2HB       LEU 102  12.075  -9.811  -2.818
  812   2HB   LEU 102          3HB       LEU 102  13.497 -10.440  -3.630
  813    HG   LEU 102           HG       LEU 102  11.304  -8.739  -4.800
  814   1HD1  LEU 102          1HD1      LEU 102  13.824  -8.189  -3.661
  815   2HD1  LEU 102          2HD1      LEU 102  13.972  -7.926  -5.398
  816   3HD1  LEU 102          3HD1      LEU 102  12.731  -7.075  -4.479
  817   1HD2  LEU 102          1HD2      LEU 102  13.421 -10.353  -6.197
  818   2HD2  LEU 102          2HD2      LEU 102  11.682 -10.347  -6.485
  819   3HD2  LEU 102          3HD2      LEU 102  12.656  -8.947  -6.934
  820    H    ARG 103           H        ARG 103  11.885 -12.379  -1.619
  821    HA   ARG 103           HA       ARG 103  14.204 -14.002  -1.934
  822   1HB   ARG 103          2HB       ARG 103  13.595 -14.906   0.335
  823   2HB   ARG 103          3HB       ARG 103  13.780 -13.161   0.251
  824   1HG   ARG 103          2HG       ARG 103  11.612 -12.770   0.715
  825   2HG   ARG 103          3HG       ARG 103  11.053 -14.199  -0.155
  826   1HD   ARG 103          2HD       ARG 103  12.469 -14.283   2.504
  827   2HD   ARG 103          3HD       ARG 103  10.715 -14.286   2.320
  828    HE   ARG 103           HE       ARG 103  11.138 -16.384   0.926
  829   1HH1  ARG 103          1HH1      ARG 103  13.117 -15.431   3.658
  830   2HH1  ARG 103          2HH1      ARG 103  13.603 -17.058   4.033
  831   1HH2  ARG 103          1HH2      ARG 103  11.756 -18.504   1.416
  832   2HH2  ARG 103          2HH2      ARG 103  12.816 -18.817   2.761
  833    H    GLU 104           H        GLU 104  10.825 -14.535  -2.344
  834    HA   GLU 104           HA       GLU 104  10.839 -17.381  -2.392
  835   1HB   GLU 104          2HB       GLU 104   8.900 -15.492  -2.298
  836   2HB   GLU 104          3HB       GLU 104   8.847 -15.917  -4.004
  837   1HG   GLU 104          2HG       GLU 104   7.871 -17.855  -3.599
  838   2HG   GLU 104          3HG       GLU 104   8.966 -18.237  -2.275
  839    H    TYR 105           H        TYR 105  12.246 -15.133  -4.415
  840    HA   TYR 105           HA       TYR 105  11.977 -16.891  -6.757
  841   1HB   TYR 105          HB2       TYR 105  12.759 -13.975  -6.616
  842   2HB   TYR 105          HB3       TYR 105  12.787 -14.942  -8.088
  843    HD1  TYR 105           HD1      TYR 105  10.223 -16.533  -7.359
  844    HD2  TYR 105           HD2      TYR 105  11.143 -12.378  -7.425
  845    HE1  TYR 105           HE1      TYR 105   7.844 -16.019  -7.723
  846    HE2  TYR 105           HE2      TYR 105   8.764 -11.858  -7.782
  847    HH   TYR 105           HH       TYR 105   6.431 -13.443  -7.102
  848    H    GLY 106           H        GLY 106  14.046 -15.985  -4.274
  849   1HA   GLY 106          1HA       GLY 106  15.963 -17.373  -3.924
  850   2HA   GLY 106          2HA       GLY 106  16.224 -17.392  -5.660
  851    H    PHE 107           H        PHE 107  15.811 -14.758  -3.291
  852    HA   PHE 107           HA       PHE 107  18.111 -13.403  -4.451
  853   1HB   PHE 107          2HB       PHE 107  15.789 -12.611  -2.846
  854   2HB   PHE 107          3HB       PHE 107  17.291 -11.835  -2.351
  855    HD1  PHE 107           HD1      PHE 107  15.580 -12.717  -5.550
  856    HD2  PHE 107           HD2      PHE 107  17.697  -9.791  -3.299
  857    HE1  PHE 107           HE1      PHE 107  15.377 -11.135  -7.423
  858    HE2  PHE 107           HE2      PHE 107  17.495  -8.203  -5.167
  859    HZ   PHE 107           HZ       PHE 107  16.334  -8.874  -7.233
  860    H    LYS 108           H        LYS 108  19.428 -12.175  -2.563
  861    HA   LYS 108           HA       LYS 108  20.705 -14.341  -1.130
  862   1HB   LYS 108          2HB       LYS 108  21.522 -11.814  -2.193
  863   2HB   LYS 108          3HB       LYS 108  21.905 -11.848  -0.476
  864   1HG   LYS 108          2HG       LYS 108  22.924 -14.164  -0.987
  865   2HG   LYS 108          3HG       LYS 108  22.900 -13.621  -2.666
  866   1HD   LYS 108          2HD       LYS 108  24.042 -11.478  -1.601
  867   2HD   LYS 108          3HD       LYS 108  24.522 -12.648  -0.369
  868   1HE   LYS 108          2HE       LYS 108  25.418 -14.091  -2.199
  869   2HE   LYS 108          3HE       LYS 108  25.077 -12.785  -3.329
  870   1HZ   LYS 108          HZ1       LYS 108  26.509 -11.557  -1.385
  871   2HZ   LYS 108          HZ2       LYS 108  27.244 -13.080  -1.469
  872   3HZ   LYS 108          HZ3       LYS 108  27.136 -12.116  -2.862
  873    H    THR 109           H        THR 109  20.711 -11.180   0.304
  874    HA   THR 109           HA       THR 109  19.196 -12.265   2.580
  875    HB   THR 109           HB       THR 109  20.958  -9.886   2.932
  876    HG1  THR 109           HG1      THR 109  21.901 -12.576   2.688
  877   1HG2  THR 109          1HG2      THR 109  19.488 -11.015   4.708
  878   2HG2  THR 109          2HG2      THR 109  20.686 -12.310   4.690
  879   3HG2  THR 109          3HG2      THR 109  21.164 -10.671   5.137
  880    H    ILE 110           H        ILE 110  17.218 -11.460   2.727
  881    HA   ILE 110           HA       ILE 110  16.763  -8.722   1.765
  882    HB   ILE 110           HB       ILE 110  15.742 -10.670   0.464
  883   1HG1  ILE 110          2HG1      ILE 110  13.484  -8.940   1.210
  884   2HG1  ILE 110          3HG1      ILE 110  14.968  -8.087   0.797
  885   1HG2  ILE 110          1HG2      ILE 110  14.809 -11.512   2.875
  886   2HG2  ILE 110          2HG2      ILE 110  13.393 -10.698   2.208
  887   3HG2  ILE 110          3HG2      ILE 110  14.163 -12.005   1.309
  888   1HD1  ILE 110          1HD1      ILE 110  13.968 -10.246  -0.997
  889   2HD1  ILE 110          2HD1      ILE 110  13.222  -8.647  -1.041
  890   3HD1  ILE 110          3HD1      ILE 110  14.945  -8.827  -1.376
  891    H    TYR 111           H        TYR 111  16.001  -7.273   3.159
  892    HA   TYR 111           HA       TYR 111  15.097  -8.253   5.786
  893   1HB   TYR 111          HB2       TYR 111  16.202  -5.496   5.302
  894   2HB   TYR 111          HB3       TYR 111  16.115  -6.396   6.810
  895    HD1  TYR 111           HD1      TYR 111  17.901  -6.167   3.566
  896    HD2  TYR 111           HD2      TYR 111  17.914  -7.743   7.524
  897    HE1  TYR 111           HE1      TYR 111  20.251  -6.840   3.284
  898    HE2  TYR 111           HE2      TYR 111  20.261  -8.422   7.249
  899    HH   TYR 111           HH       TYR 111  22.197  -7.842   5.919
  900    H    ASN 112           H        ASN 112  13.334  -7.301   6.771
  901    HA   ASN 112           HA       ASN 112  11.784  -5.403   5.122
  902   1HB   ASN 112          2HB       ASN 112  10.780  -7.730   5.910
  903   2HB   ASN 112          3HB       ASN 112  10.539  -6.861   7.424
  904   1HD2  ASN 112          1HD2      ASN 112   9.152  -7.672   4.564
  905   2HD2  ASN 112          2HD2      ASN 112   7.951  -6.426   4.462
  906    H    SER 113           H        SER 113  11.333  -3.438   6.011
  907    HA   SER 113           HA       SER 113  12.837  -2.800   8.396
  908   1HB   SER 113          2HB       SER 113  11.238  -0.970   6.608
  909   2HB   SER 113          3HB       SER 113  12.445  -0.486   7.800
  910    HG   SER 113           HG       SER 113  12.834  -1.887   5.366
  911    H    GLU 114           H        GLU 114  11.915  -3.158  10.282
  912    HA   GLU 114           HA       GLU 114   9.170  -3.292  10.803
  913   1HB   GLU 114          2HB       GLU 114  10.885  -4.269  12.277
  914   2HB   GLU 114          3HB       GLU 114  11.412  -2.656  12.735
  915   1HG   GLU 114          2HG       GLU 114  10.017  -3.643  14.456
  916   2HG   GLU 114          3HG       GLU 114   9.243  -2.223  13.757
  917    H    GLY 115           H        GLY 115   7.678  -1.845  11.361
  918   1HA   GLY 115          1HA       GLY 115   6.845   0.264  12.071
  919   2HA   GLY 115          2HA       GLY 115   8.449   0.945  11.829
  920    H    GLY 116           H        GLY 116   8.852   2.000   9.984
  921   1HA   GLY 116          1HA       GLY 116   8.119   1.480   7.433
  922   2HA   GLY 116          2HA       GLY 116   6.713   2.323   8.070
  923    H    MET 117           H        MET 117   7.140   4.010   6.517
  924    HA   MET 117           HA       MET 117   9.515   5.518   6.435
  925   1HB   MET 117          2HB       MET 117   7.791   5.715   4.712
  926   2HB   MET 117          3HB       MET 117   6.665   6.380   5.886
  927   1HG   MET 117          2HG       MET 117   9.002   7.976   5.942
  928   2HG   MET 117          3HG       MET 117   8.553   7.734   4.255
  929   1HE   MET 117          1HE       MET 117   6.458   8.011   3.303
  930   2HE   MET 117          2HE       MET 117   5.101   8.980   3.875
  931   3HE   MET 117          3HE       MET 117   6.539   9.772   3.229
  932    H    ASP 118           H        ASP 118   6.742   5.581   8.541
  933    HA   ASP 118           HA       ASP 118   7.235   8.004   9.873
  934   1HB   ASP 118          2HB       ASP 118   5.570   7.359  11.360
  935   2HB   ASP 118          3HB       ASP 118   5.160   6.413   9.934
  936    H    LYS 119           H        LYS 119   8.608   4.778  10.249
  937    HA   LYS 119           HA       LYS 119   9.864   5.316  12.755
  938   1HB   LYS 119          2HB       LYS 119   9.582   3.093  10.929
  939   2HB   LYS 119          3HB       LYS 119  11.247   3.244  11.477
  940   1HG   LYS 119          2HG       LYS 119   9.965   1.742  12.903
  941   2HG   LYS 119          3HG       LYS 119  10.509   3.165  13.794
  942   1HD   LYS 119          2HD       LYS 119   7.958   3.702  12.622
  943   2HD   LYS 119          3HD       LYS 119   7.881   2.183  13.523
  944   1HE   LYS 119          2HE       LYS 119   8.576   3.218  15.525
  945   2HE   LYS 119          3HE       LYS 119   9.093   4.676  14.679
  946   1HZ   LYS 119          HZ1       LYS 119   6.571   4.725  14.013
  947   2HZ   LYS 119          HZ2       LYS 119   6.404   3.819  15.441
  948   3HZ   LYS 119          HZ3       LYS 119   7.106   5.365  15.494
  949    H    TRP 120           H        TRP 120  10.752   5.653   9.381
  950    HA   TRP 120           HA       TRP 120  13.533   5.955   9.692
  951   1HB   TRP 120          HB2       TRP 120  12.079   5.768   7.531
  952   2HB   TRP 120          HB3       TRP 120  11.975   7.519   7.654
  953    HD1  TRP 120           HD1      TRP 120  13.948   8.882   6.775
  954    HE1  TRP 120           HE1      TRP 120  16.246   8.354   5.757
  955    HE3  TRP 120           HE3      TRP 120  14.068   3.834   7.606
  956    HZ2  TRP 120           HZ2      TRP 120  17.875   6.100   5.323
  957    HZ3  TRP 120           HZ3      TRP 120  16.038   2.562   6.837
  958    HH2  TRP 120           HH2      TRP 120  17.896   3.678   5.720
  959    H    LEU 121           H        LEU 121  10.947   8.423   9.527
  960    HA   LEU 121           HA       LEU 121  12.607  10.607  10.177
  961   1HB   LEU 121          2HB       LEU 121   9.704  10.076   9.989
  962   2HB   LEU 121          3HB       LEU 121  10.165  11.410  11.023
  963    HG   LEU 121           HG       LEU 121  10.502  11.135   8.050
  964   1HD1  LEU 121          1HD1      LEU 121   9.224  13.068   9.943
  965   2HD1  LEU 121          2HD1      LEU 121   9.659  13.556   8.304
  966   3HD1  LEU 121          3HD1      LEU 121   8.527  12.227   8.559
  967   1HD2  LEU 121          1HD2      LEU 121  12.169  12.752   9.942
  968   2HD2  LEU 121          2HD2      LEU 121  12.660  11.834   8.517
  969   3HD2  LEU 121          3HD2      LEU 121  11.802  13.363   8.328
  970    H    GLU 122           H        GLU 122  10.669   8.390  12.132
  971    HA   GLU 122           HA       GLU 122  10.887   9.776  14.578
  972   1HB   GLU 122          2HB       GLU 122   9.454   7.657  13.776
  973   2HB   GLU 122          3HB       GLU 122  10.730   6.816  14.645
  974   1HG   GLU 122          2HG       GLU 122   9.863   7.354  16.612
  975   2HG   GLU 122          3HG       GLU 122   9.713   9.054  16.162
  976    H    GLU 123           H        GLU 123  12.964   7.382  13.038
  977    HA   GLU 123           HA       GLU 123  14.637   7.046  15.345
  978   1HB   GLU 123          2HB       GLU 123  14.167   5.607  13.042
  979   2HB   GLU 123          3HB       GLU 123  15.762   6.286  12.748
  980   1HG   GLU 123          2HG       GLU 123  15.877   4.069  13.754
  981   2HG   GLU 123          3HG       GLU 123  16.595   5.301  14.790
  982    H    GLY 124           H        GLY 124  14.263   9.525  13.209
  983   1HA   GLY 124          1HA       GLY 124  15.478  11.448  12.881
  984   2HA   GLY 124          2HA       GLY 124  16.650  10.844  14.045
  985    H    LEU 125           H        LEU 125  15.726   9.022  11.232
  986    HA   LEU 125           HA       LEU 125  18.472   8.864  10.426
  987   1HB   LEU 125          2HB       LEU 125  15.966   7.718   9.194
  988   2HB   LEU 125          3HB       LEU 125  17.600   7.326   8.691
  989    HG   LEU 125           HG       LEU 125  16.598   6.828  11.490
  990   1HD1  LEU 125          1HD1      LEU 125  15.952   5.454   9.043
  991   2HD1  LEU 125          2HD1      LEU 125  16.807   4.397  10.166
  992   3HD1  LEU 125          3HD1      LEU 125  15.327   5.211  10.675
  993   1HD2  LEU 125          1HD2      LEU 125  19.097   6.946  10.910
  994   2HD2  LEU 125          2HD2      LEU 125  18.517   5.522  11.778
  995   3HD2  LEU 125          3HD2      LEU 125  18.827   5.434  10.043
  996    HA   PRO 126           HA       PRO 126  18.816  11.867   7.243
  997   1HB   PRO 126          2HB       PRO 126  19.726  10.383   5.107
  998   2HB   PRO 126          3HB       PRO 126  20.745  10.939   6.440
  999   1HG   PRO 126          2HG       PRO 126  19.413   8.276   6.057
 1000   2HG   PRO 126          3HG       PRO 126  21.078   8.630   6.573
 1001   1HD   PRO 126          2HD       PRO 126  19.244   7.975   8.370
 1002   2HD   PRO 126          3HD       PRO 126  20.395   9.286   8.716
 1003    H    SER 127           H        SER 127  17.049  12.751   6.370
 1004    HA   SER 127           HA       SER 127  15.603  11.201   4.338
 1005   1HB   SER 127          2HB       SER 127  14.187  13.207   6.076
 1006   2HB   SER 127          3HB       SER 127  13.508  11.870   5.147
 1007    HG   SER 127           HG       SER 127  15.251  11.432   7.335
 1008    H    LEU 128           H        LEU 128  14.898  12.404   2.552
 1009    HA   LEU 128           HA       LEU 128  16.207  15.011   2.296
 1010   1HB   LEU 128          2HB       LEU 128  15.682  12.800   0.478
 1011   2HB   LEU 128          3HB       LEU 128  15.165  14.339  -0.183
 1012    HG   LEU 128           HG       LEU 128  17.939  13.812   0.881
 1013   1HD1  LEU 128          1HD1      LEU 128  16.696  13.075  -1.615
 1014   2HD1  LEU 128          2HD1      LEU 128  18.055  14.171  -1.868
 1015   3HD1  LEU 128          3HD1      LEU 128  18.289  12.663  -0.983
 1016   1HD2  LEU 128          1HD2      LEU 128  16.610  16.199   0.368
 1017   2HD2  LEU 128          2HD2      LEU 128  18.349  15.973   0.545
 1018   3HD2  LEU 128          3HD2      LEU 128  17.613  15.932  -1.057
 1019    H    ASP 129           H        ASP 129  14.900  16.523   3.029
 1020    HA   ASP 129           HA       ASP 129  12.111  16.556   2.084
 1021   1HB   ASP 129          2HB       ASP 129  11.595  16.681   4.274
 1022   2HB   ASP 129          3HB       ASP 129  13.277  16.925   4.723
 1023    H    ARG 130           H        ARG 130  11.321  18.456   1.168
 1024    HA   ARG 130           HA       ARG 130  13.341  20.480   0.533
 1025   1HB   ARG 130          2HB       ARG 130  11.922  19.266  -1.271
 1026   2HB   ARG 130          3HB       ARG 130  10.597  20.274  -0.700
 1027   1HG   ARG 130          2HG       ARG 130  12.759  22.007  -1.111
 1028   2HG   ARG 130          3HG       ARG 130  12.731  20.919  -2.500
 1029   1HD   ARG 130          2HD       ARG 130  10.683  21.647  -3.205
 1030   2HD   ARG 130          3HD       ARG 130  10.152  22.067  -1.576
 1031    HE   ARG 130           HE       ARG 130  12.153  23.851  -2.110
 1032   1HH1  ARG 130          1HH1      ARG 130   9.165  22.947  -3.712
 1033   2HH1  ARG 130          2HH1      ARG 130   8.891  24.532  -4.382
 1034   1HH2  ARG 130          1HH2      ARG 130  11.818  25.930  -3.009
 1035   2HH2  ARG 130          2HH2      ARG 130  10.390  26.239  -3.961
 1036    H    SER 131           H        SER 131  13.178  21.274   2.684
 1037    HA   SER 131           HA       SER 131  10.991  21.829   4.133
 1038   1HB   SER 131          2HB       SER 131  13.154  23.850   4.329
 1039   2HB   SER 131          3HB       SER 131  12.405  22.866   5.590
 1040    HG   SER 131           HG       SER 131  13.575  21.062   4.757
 1041    H    HIS 132           H        HIS 132   9.238  22.921   3.725
 1042    HA   HIS 132           HA       HIS 132   9.415  25.455   2.244
 1043   1HB   HIS 132          2HB       HIS 132   6.728  25.102   2.676
 1044   2HB   HIS 132          3HB       HIS 132   7.579  24.635   1.214
 1045    HD1  HIS 132           HD1      HIS 132   5.710  23.266   4.083
 1046    HD2  HIS 132           HD2      HIS 132   8.104  21.825   1.009
 1047    HE1  HIS 132           HE1      HIS 132   5.283  20.793   4.000
 1048    HE2  HIS 132           HE2      HIS 132   6.889  19.924   2.268
 1049    H    HIS 133           H        HIS 133  10.322  26.635   3.897
 1050    HA   HIS 133           HA       HIS 133   9.278  26.634   6.541
 1051   1HB   HIS 133          2HB       HIS 133  11.616  27.509   5.293
 1052   2HB   HIS 133          3HB       HIS 133  10.866  28.976   5.909
 1053    HD1  HIS 133           HD1      HIS 133  10.206  28.817   8.585
 1054    HD2  HIS 133           HD2      HIS 133  13.065  26.162   7.135
 1055    HE1  HIS 133           HE1      HIS 133  11.456  27.991  10.604
 1056    HE2  HIS 133           HE2      HIS 133  13.292  26.532   9.686
 1057    H    HIS 134           H        HIS 134   8.168  28.120   3.753
 1058    HA   HIS 134           HA       HIS 134   7.331  30.628   4.768
 1059   1HB   HIS 134          2HB       HIS 134   7.503  29.797   2.311
 1060   2HB   HIS 134          3HB       HIS 134   5.875  29.180   2.576
 1061    HD1  HIS 134           HD1      HIS 134   7.814  32.411   2.440
 1062    HD2  HIS 134           HD2      HIS 134   3.872  31.076   2.476
 1063    HE1  HIS 134           HE1      HIS 134   6.407  34.433   1.933
 1064    HE2  HIS 134           HE2      HIS 134   4.023  33.640   2.115
 1065    H    HIS 135           H        HIS 135   5.983  27.421   4.902
 1066    HA   HIS 135           HA       HIS 135   3.368  28.300   5.683
 1067   1HB   HIS 135          2HB       HIS 135   3.921  26.100   4.496
 1068   2HB   HIS 135          3HB       HIS 135   4.437  25.511   6.075
 1069    HD1  HIS 135           HD1      HIS 135   1.424  26.199   4.042
 1070    HD2  HIS 135           HD2      HIS 135   2.327  25.282   7.992
 1071    HE1  HIS 135           HE1      HIS 135  -0.759  25.558   5.103
 1072    HE2  HIS 135           HE2      HIS 135  -0.217  25.244   7.545
 1073    H    HIS 136           H        HIS 136   3.952  29.668   7.402
 1074    HA   HIS 136           HA       HIS 136   4.749  28.410   9.920
 1075   1HB   HIS 136          2HB       HIS 136   4.575  30.675  10.870
 1076   2HB   HIS 136          3HB       HIS 136   5.612  30.674   9.448
 1077    HD1  HIS 136           HD1      HIS 136   4.688  31.875   7.305
 1078    HD2  HIS 136           HD2      HIS 136   2.275  32.216  10.673
 1079    HE1  HIS 136           HE1      HIS 136   3.030  33.679   6.769
 1080    HE2  HIS 136           HE2      HIS 136   1.758  34.039   8.914
 1081    H    HIS 137           H        HIS 137   2.075  29.214   8.040
 1082    HA   HIS 137           HA       HIS 137   0.213  27.787   9.510
 1083   1HB   HIS 137          2HB       HIS 137   0.412  29.892  10.990
 1084   2HB   HIS 137          3HB       HIS 137  -0.367  30.752   9.665
 1085    HD1  HIS 137           HD1      HIS 137  -1.056  27.820  11.992
 1086    HD2  HIS 137           HD2      HIS 137  -3.087  30.627   9.693
 1087    HE1  HIS 137           HE1      HIS 137  -3.489  27.490  12.512
 1088    HE2  HIS 137           HE2      HIS 137  -4.700  29.001  10.902
 1089   1H    ALA   1           H1       ALA   1  23.542 -10.962 -16.931
 1090   2H    ALA   1           H2       ALA   1  25.126 -10.704 -16.395
 1091   3H    ALA   1           H3       ALA   1  24.501 -12.279 -16.467
 1092    HA   ALA   1           HA       ALA   1  23.457 -12.125 -14.527
 1093   1HB   ALA   1          1HB       ALA   1  25.481  -9.925 -14.467
 1094   2HB   ALA   1          2HB       ALA   1  24.454 -10.225 -13.064
 1095   3HB   ALA   1          3HB       ALA   1  25.511 -11.499 -13.673
 1096    H    ASP   2           H        ASP   2  21.508 -11.524 -15.868
 1097    HA   ASP   2           HA       ASP   2  20.341  -9.054 -14.805
 1098   1HB   ASP   2          2HB       ASP   2  19.362  -9.632 -17.480
 1099   2HB   ASP   2          3HB       ASP   2  19.997  -8.125 -16.832
 1100    H    MET   3           H        MET   3  19.646 -10.976 -13.395
 1101    HA   MET   3           HA       MET   3  17.746 -12.781 -14.563
 1102   1HB   MET   3          2HB       MET   3  19.043 -12.433 -11.972
 1103   2HB   MET   3          3HB       MET   3  17.375 -12.974 -11.845
 1104   1HG   MET   3          2HG       MET   3  18.947 -14.840 -11.893
 1105   2HG   MET   3          3HG       MET   3  17.842 -14.869 -13.266
 1106   1HE   MET   3          1HE       MET   3  21.117 -13.172 -12.193
 1107   2HE   MET   3          2HE       MET   3  21.661 -14.850 -12.223
 1108   3HE   MET   3          3HE       MET   3  22.285 -13.700 -13.405
 1109    H    GLY   4           H        GLY   4  17.456  -9.643 -13.971
 1110   1HA   GLY   4          1HA       GLY   4  15.071  -9.261 -12.564
 1111   2HA   GLY   4          2HA       GLY   4  15.661  -8.217 -13.851
 1112    H    GLU   5           H        GLU   5  15.659 -10.102 -15.907
 1113    HA   GLU   5           HA       GLU   5  12.987 -10.014 -16.840
 1114   1HB   GLU   5          2HB       GLU   5  15.495 -11.386 -17.745
 1115   2HB   GLU   5          3HB       GLU   5  13.960 -11.727 -18.533
 1116   1HG   GLU   5          2HG       GLU   5  14.126  -8.946 -18.394
 1117   2HG   GLU   5          3HG       GLU   5  15.733  -9.498 -18.866
 1118    H    LYS   6           H        LYS   6  14.877 -12.414 -15.181
 1119    HA   LYS   6           HA       LYS   6  13.207 -14.624 -15.729
 1120   1HB   LYS   6          2HB       LYS   6  15.094 -14.362 -13.388
 1121   2HB   LYS   6          3HB       LYS   6  14.528 -15.845 -14.142
 1122   1HG   LYS   6          2HG       LYS   6  16.260 -13.795 -15.507
 1123   2HG   LYS   6          3HG       LYS   6  16.858 -15.252 -14.715
 1124   1HD   LYS   6          2HD       LYS   6  14.747 -15.941 -16.524
 1125   2HD   LYS   6          3HD       LYS   6  15.955 -14.966 -17.365
 1126   1HE   LYS   6          2HE       LYS   6  17.546 -16.646 -15.965
 1127   2HE   LYS   6          3HE       LYS   6  16.148 -17.682 -16.252
 1128   1HZ   LYS   6          HZ1       LYS   6  17.174 -16.166 -18.528
 1129   2HZ   LYS   6          HZ2       LYS   6  18.118 -17.464 -17.976
 1130   3HZ   LYS   6          HZ3       LYS   6  16.516 -17.729 -18.468
 1131    H    PHE   7           H        PHE   7  13.558 -12.649 -12.740
 1132    HA   PHE   7           HA       PHE   7  11.369 -14.110 -11.597
 1133   1HB   PHE   7          2HB       PHE   7  11.638 -12.444  -9.668
 1134   2HB   PHE   7          3HB       PHE   7  12.913 -13.610  -9.962
 1135    HD1  PHE   7           HD1      PHE   7  12.024 -10.115 -10.969
 1136    HD2  PHE   7           HD2      PHE   7  15.047 -12.859  -9.777
 1137    HE1  PHE   7           HE1      PHE   7  13.660  -8.277 -10.901
 1138    HE2  PHE   7           HE2      PHE   7  16.693 -11.031  -9.720
 1139    HZ   PHE   7           HZ       PHE   7  15.998  -8.729 -10.272
 1140    H    ASP   8           H        ASP   8  11.672 -11.140 -13.301
 1141    HA   ASP   8           HA       ASP   8   9.503  -9.667 -12.404
 1142   1HB   ASP   8          2HB       ASP   8  10.701  -8.512 -14.012
 1143   2HB   ASP   8          3HB       ASP   8  10.819  -9.907 -15.079
 1144    H    ALA   9           H        ALA   9   9.487 -12.175 -14.929
 1145    HA   ALA   9           HA       ALA   9   6.790 -12.117 -15.572
 1146   1HB   ALA   9          1HB       ALA   9   8.758 -13.439 -16.616
 1147   2HB   ALA   9          2HB       ALA   9   8.280 -14.704 -15.483
 1148   3HB   ALA   9          3HB       ALA   9   7.129 -14.113 -16.681
 1149    H    THR  10           H        THR  10   8.449 -13.974 -13.055
 1150    HA   THR  10           HA       THR  10   6.168 -15.361 -12.136
 1151    HB   THR  10           HB       THR  10   7.947 -14.960  -9.953
 1152    HG1  THR  10           HG1      THR  10   9.548 -14.270 -11.333
 1153   1HG2  THR  10          1HG2      THR  10   7.464 -17.241 -11.867
 1154   2HG2  THR  10          2HG2      THR  10   8.493 -17.371 -10.441
 1155   3HG2  THR  10          3HG2      THR  10   6.776 -17.013 -10.257
 1156    H    PHE  11           H        PHE  11   7.672 -12.298 -11.122
 1157    HA   PHE  11           HA       PHE  11   6.068 -11.778  -8.898
 1158   1HB   PHE  11          2HB       PHE  11   8.138 -10.484 -10.034
 1159   2HB   PHE  11          3HB       PHE  11   6.821  -9.461 -10.597
 1160    HD1  PHE  11           HD1      PHE  11   4.998  -9.141  -8.513
 1161    HD2  PHE  11           HD2      PHE  11   9.215  -9.625  -8.209
 1162    HE1  PHE  11           HE1      PHE  11   4.970  -7.991  -6.340
 1163    HE2  PHE  11           HE2      PHE  11   9.192  -8.483  -6.033
 1164    HZ   PHE  11           HZ       PHE  11   7.071  -7.662  -5.098
 1165    H    LYS  12           H        LYS  12   5.621 -10.861 -12.278
 1166    HA   LYS  12           HA       LYS  12   3.135  -9.556 -11.946
 1167   1HB   LYS  12          2HB       LYS  12   4.662  -9.328 -13.915
 1168   2HB   LYS  12          3HB       LYS  12   4.188 -10.944 -14.414
 1169   1HG   LYS  12          2HG       LYS  12   2.952  -9.330 -15.682
 1170   2HG   LYS  12          3HG       LYS  12   1.850 -10.169 -14.590
 1171   1HD   LYS  12          2HD       LYS  12   1.206  -8.210 -13.763
 1172   2HD   LYS  12          3HD       LYS  12   2.856  -7.919 -13.205
 1173   1HE   LYS  12          2HE       LYS  12   2.816  -7.415 -15.983
 1174   2HE   LYS  12          3HE       LYS  12   1.401  -6.619 -15.293
 1175   1HZ   LYS  12          HZ1       LYS  12   3.103  -5.798 -13.540
 1176   2HZ   LYS  12          HZ2       LYS  12   4.252  -6.150 -14.743
 1177   3HZ   LYS  12          HZ3       LYS  12   3.014  -5.026 -15.053
 1178    H    ALA  13           H        ALA  13   4.028 -12.890 -12.158
 1179    HA   ALA  13           HA       ALA  13   1.436 -13.904 -12.878
 1180   1HB   ALA  13          1HB       ALA  13   3.466 -15.164 -13.381
 1181   2HB   ALA  13          2HB       ALA  13   3.812 -15.311 -11.655
 1182   3HB   ALA  13          3HB       ALA  13   2.385 -16.094 -12.341
 1183    H    GLN  14           H        GLN  14   3.314 -13.691  -9.901
 1184    HA   GLN  14           HA       GLN  14   1.297 -14.849  -8.239
 1185   1HB   GLN  14          2HB       GLN  14   3.762 -13.225  -7.596
 1186   2HB   GLN  14          3HB       GLN  14   2.714 -13.913  -6.365
 1187   1HG   GLN  14          2HG       GLN  14   3.998 -15.586  -8.497
 1188   2HG   GLN  14          3HG       GLN  14   4.797 -15.222  -6.971
 1189   1HE2  GLN  14          1HE2      GLN  14   4.217 -16.324  -5.167
 1190   2HE2  GLN  14          2HE2      GLN  14   3.016 -17.572  -5.131
 1191    H    VAL  15           H        VAL  15   2.437 -11.531  -8.706
 1192    HA   VAL  15           HA       VAL  15   0.692 -10.309  -6.927
 1193    HB   VAL  15           HB       VAL  15   2.710  -9.479  -8.674
 1194   1HG1  VAL  15          1HG1      VAL  15   0.629  -8.890 -10.156
 1195   2HG1  VAL  15          2HG1      VAL  15   0.514  -7.509  -9.065
 1196   3HG1  VAL  15          3HG1      VAL  15   1.982  -7.768 -10.008
 1197   1HG2  VAL  15          1HG2      VAL  15   1.290  -8.538  -6.331
 1198   2HG2  VAL  15          2HG2      VAL  15   3.001  -8.416  -6.741
 1199   3HG2  VAL  15          3HG2      VAL  15   1.861  -7.212  -7.342
 1200    H    LYS  16           H        LYS  16   0.160 -11.265 -10.267
 1201    HA   LYS  16           HA       LYS  16  -2.268  -9.810 -10.621
 1202   1HB   LYS  16          2HB       LYS  16  -0.603 -11.447 -12.211
 1203   2HB   LYS  16          3HB       LYS  16  -2.197 -12.189 -12.227
 1204   1HG   LYS  16          2HG       LYS  16  -2.631  -9.449 -12.589
 1205   2HG   LYS  16          3HG       LYS  16  -1.256  -9.868 -13.614
 1206   1HD   LYS  16          2HD       LYS  16  -3.221 -11.921 -13.844
 1207   2HD   LYS  16          3HD       LYS  16  -4.009 -10.357 -14.073
 1208   1HE   LYS  16          2HE       LYS  16  -2.171  -9.803 -15.707
 1209   2HE   LYS  16          3HE       LYS  16  -1.669 -11.489 -15.593
 1210   1HZ   LYS  16          HZ1       LYS  16  -3.908 -12.128 -16.332
 1211   2HZ   LYS  16          HZ2       LYS  16  -4.306 -10.493 -16.527
 1212   3HZ   LYS  16          HZ3       LYS  16  -3.094 -11.192 -17.489
 1213    H    ALA  17           H        ALA  17  -1.464 -13.062  -9.538
 1214    HA   ALA  17           HA       ALA  17  -4.012 -14.191  -9.548
 1215   1HB   ALA  17          1HB       ALA  17  -1.827 -15.382  -9.207
 1216   2HB   ALA  17          2HB       ALA  17  -1.865 -14.822  -7.536
 1217   3HB   ALA  17          3HB       ALA  17  -3.134 -15.888  -8.136
 1218    H    ALA  18           H        ALA  18  -2.586 -11.918  -7.363
 1219    HA   ALA  18           HA       ALA  18  -4.273 -12.374  -5.137
 1220   1HB   ALA  18          1HB       ALA  18  -2.069 -10.800  -5.649
 1221   2HB   ALA  18          2HB       ALA  18  -3.362  -9.630  -5.384
 1222   3HB   ALA  18          3HB       ALA  18  -2.998 -10.839  -4.150
 1223    H    LYS  19           H        LYS  19  -4.547 -10.201  -7.948
 1224    HA   LYS  19           HA       LYS  19  -7.051  -9.098  -7.029
 1225   1HB   LYS  19          2HB       LYS  19  -7.001  -7.720  -8.906
 1226   2HB   LYS  19          3HB       LYS  19  -5.298  -7.934  -8.538
 1227   1HG   LYS  19          2HG       LYS  19  -5.133  -9.624 -10.299
 1228   2HG   LYS  19          3HG       LYS  19  -6.844  -9.398 -10.669
 1229   1HD   LYS  19          2HD       LYS  19  -6.210  -6.909 -10.984
 1230   2HD   LYS  19          3HD       LYS  19  -4.553  -7.505 -11.090
 1231   1HE   LYS  19          2HE       LYS  19  -5.060  -7.638 -13.291
 1232   2HE   LYS  19          3HE       LYS  19  -5.735  -9.191 -12.805
 1233   1HZ   LYS  19          HZ1       LYS  19  -7.772  -7.456 -12.367
 1234   2HZ   LYS  19          HZ2       LYS  19  -7.076  -6.844 -13.785
 1235   3HZ   LYS  19          HZ3       LYS  19  -7.609  -8.455 -13.723
 1236    H    ALA  20           H        ALA  20  -5.955 -11.814  -8.733
 1237    HA   ALA  20           HA       ALA  20  -8.371 -12.316 -10.225
 1238   1HB   ALA  20          1HB       ALA  20  -5.775 -13.710  -9.881
 1239   2HB   ALA  20          2HB       ALA  20  -7.160 -14.666 -10.405
 1240   3HB   ALA  20          3HB       ALA  20  -6.643 -13.271 -11.351
 1241    H    ASP  21           H        ASP  21  -7.281 -12.959  -7.044
 1242    HA   ASP  21           HA       ASP  21  -8.647 -15.366  -6.548
 1243   1HB   ASP  21          2HB       ASP  21  -6.767 -14.310  -5.188
 1244   2HB   ASP  21          3HB       ASP  21  -8.003 -13.292  -4.459
 1245    H    MET  22           H        MET  22  -9.727 -12.078  -6.564
 1246    HA   MET  22           HA       MET  22 -12.303 -12.930  -5.415
 1247   1HB   MET  22          2HB       MET  22 -12.599 -10.517  -4.811
 1248   2HB   MET  22          3HB       MET  22 -11.294 -11.335  -3.963
 1249   1HG   MET  22          2HG       MET  22  -9.760 -10.373  -5.758
 1250   2HG   MET  22          3HG       MET  22 -11.113  -9.326  -6.180
 1251   1HE   MET  22          1HE       MET  22 -12.489  -8.238  -4.367
 1252   2HE   MET  22          2HE       MET  22 -12.164  -8.833  -2.737
 1253   3HE   MET  22          3HE       MET  22 -11.729  -7.181  -3.179
 1254    H    VAL  23           H        VAL  23 -14.060 -11.153  -6.076
 1255    HA   VAL  23           HA       VAL  23 -14.405 -11.459  -8.911
 1256    HB   VAL  23           HB       VAL  23 -16.110  -9.856  -6.995
 1257   1HG1  VAL  23          1HG1      VAL  23 -16.491  -9.375  -9.370
 1258   2HG1  VAL  23          2HG1      VAL  23 -16.778 -11.092  -9.664
 1259   3HG1  VAL  23          3HG1      VAL  23 -17.878 -10.177  -8.631
 1260   1HG2  VAL  23          1HG2      VAL  23 -15.645 -12.620  -6.967
 1261   2HG2  VAL  23          2HG2      VAL  23 -16.913 -11.732  -6.120
 1262   3HG2  VAL  23          3HG2      VAL  23 -17.223 -12.401  -7.722
 1263    H    MET  24           H        MET  24 -13.440 -10.163 -10.315
 1264    HA   MET  24           HA       MET  24 -12.545  -7.530  -9.523
 1265   1HB   MET  24          2HB       MET  24 -12.157  -9.225 -11.976
 1266   2HB   MET  24          3HB       MET  24 -11.678  -7.533 -11.957
 1267   1HG   MET  24          2HG       MET  24 -10.674  -8.832  -9.620
 1268   2HG   MET  24          3HG       MET  24 -10.225  -9.754 -11.053
 1269   1HE   MET  24          1HE       MET  24 -10.507  -6.088  -9.732
 1270   2HE   MET  24          2HE       MET  24  -9.221  -6.838  -8.785
 1271   3HE   MET  24          3HE       MET  24  -8.840  -5.538  -9.914
 1272    H    LEU  25           H        LEU  25 -13.879  -5.869  -9.601
 1273    HA   LEU  25           HA       LEU  25 -15.869  -5.735 -11.767
 1274   1HB   LEU  25          2HB       LEU  25 -15.964  -5.096  -8.895
 1275   2HB   LEU  25          3HB       LEU  25 -16.650  -3.853  -9.927
 1276    HG   LEU  25           HG       LEU  25 -17.576  -6.675  -9.499
 1277   1HD1  LEU  25          1HD1      LEU  25 -18.527  -3.957  -8.983
 1278   2HD1  LEU  25          2HD1      LEU  25 -19.740  -5.024  -9.692
 1279   3HD1  LEU  25          3HD1      LEU  25 -18.938  -5.477  -8.188
 1280   1HD2  LEU  25          1HD2      LEU  25 -18.266  -4.917 -11.851
 1281   2HD2  LEU  25          2HD2      LEU  25 -17.417  -6.461 -11.908
 1282   3HD2  LEU  25          3HD2      LEU  25 -19.107  -6.403 -11.408
 1283    H    SER  26           H        SER  26 -16.522  -3.128 -11.613
 1284    HA   SER  26           HA       SER  26 -14.023  -1.633 -11.978
 1285   1HB   SER  26          2HB       SER  26 -16.033  -0.455 -13.610
 1286   2HB   SER  26          3HB       SER  26 -14.544  -1.244 -14.134
 1287    HG   SER  26           HG       SER  26 -15.649  -2.943 -14.721
 1288    HA   PRO  27           HA       PRO  27 -15.496   1.063  -8.835
 1289   1HB   PRO  27          2HB       PRO  27 -14.981   3.515 -10.137
 1290   2HB   PRO  27          3HB       PRO  27 -13.896   2.643  -9.051
 1291   1HG   PRO  27          2HG       PRO  27 -13.999   2.647 -12.031
 1292   2HG   PRO  27          3HG       PRO  27 -12.594   2.559 -10.953
 1293   1HD   PRO  27          2HD       PRO  27 -13.442   0.381 -12.199
 1294   2HD   PRO  27          3HD       PRO  27 -12.937   0.286 -10.503
 1295    H    LYS  28           H        LYS  28 -16.694   1.516 -12.103
 1296    HA   LYS  28           HA       LYS  28 -18.839   3.267 -11.378
 1297   1HB   LYS  28          2HB       LYS  28 -19.288   1.736 -13.796
 1298   2HB   LYS  28          3HB       LYS  28 -19.112   3.470 -13.591
 1299   1HG   LYS  28          2HG       LYS  28 -16.650   3.169 -13.603
 1300   2HG   LYS  28          3HG       LYS  28 -16.902   1.456 -13.946
 1301   1HD   LYS  28          2HD       LYS  28 -18.381   2.417 -15.906
 1302   2HD   LYS  28          3HD       LYS  28 -17.344   3.828 -15.688
 1303   1HE   LYS  28          2HE       LYS  28 -15.512   1.826 -15.679
 1304   2HE   LYS  28          3HE       LYS  28 -16.723   1.168 -16.779
 1305   1HZ   LYS  28          HZ1       LYS  28 -16.579   3.220 -18.079
 1306   2HZ   LYS  28          HZ2       LYS  28 -15.374   3.810 -17.036
 1307   3HZ   LYS  28          HZ3       LYS  28 -15.083   2.433 -17.991
 1308    H    ASP  29           H        ASP  29 -18.467  -0.191 -11.998
 1309    HA   ASP  29           HA       ASP  29 -21.224  -0.841 -11.544
 1310   1HB   ASP  29          2HB       ASP  29 -18.837  -2.224 -12.376
 1311   2HB   ASP  29          3HB       ASP  29 -19.610  -3.124 -11.075
 1312    H    ALA  30           H        ALA  30 -18.320  -0.642  -9.681
 1313    HA   ALA  30           HA       ALA  30 -19.240  -1.971  -7.342
 1314   1HB   ALA  30          1HB       ALA  30 -16.835  -1.450  -7.968
 1315   2HB   ALA  30          2HB       ALA  30 -17.148   0.182  -7.376
 1316   3HB   ALA  30          3HB       ALA  30 -17.293  -1.196  -6.284
 1317    H    TYR  31           H        TYR  31 -19.089   1.470  -8.268
 1318    HA   TYR  31           HA       TYR  31 -20.286   2.379  -5.854
 1319   1HB   TYR  31          HB2       TYR  31 -18.990   3.932  -7.193
 1320   2HB   TYR  31          HB3       TYR  31 -20.089   3.731  -8.553
 1321    HD1  TYR  31           HD1      TYR  31 -20.130   4.734  -4.965
 1322    HD2  TYR  31           HD2      TYR  31 -21.788   5.302  -8.842
 1323    HE1  TYR  31           HE1      TYR  31 -21.515   6.563  -4.094
 1324    HE2  TYR  31           HE2      TYR  31 -23.190   7.132  -7.980
 1325    HH   TYR  31           HH       TYR  31 -23.674   8.417  -6.223
 1326    H    LYS  32           H        LYS  32 -21.543   1.216  -8.883
 1327    HA   LYS  32           HA       LYS  32 -24.144   2.193  -8.790
 1328   1HB   LYS  32          2HB       LYS  32 -23.092   0.934 -10.686
 1329   2HB   LYS  32          3HB       LYS  32 -23.320  -0.545  -9.764
 1330   1HG   LYS  32          2HG       LYS  32 -25.122  -0.499 -11.232
 1331   2HG   LYS  32          3HG       LYS  32 -25.797   0.084  -9.709
 1332   1HD   LYS  32          2HD       LYS  32 -24.825   2.354 -11.025
 1333   2HD   LYS  32          3HD       LYS  32 -25.636   1.398 -12.266
 1334   1HE   LYS  32          2HE       LYS  32 -27.602   1.231 -10.720
 1335   2HE   LYS  32          3HE       LYS  32 -26.790   2.385  -9.664
 1336   1HZ   LYS  32          HZ1       LYS  32 -26.671   3.728 -11.921
 1337   2HZ   LYS  32          HZ2       LYS  32 -28.057   2.808 -12.256
 1338   3HZ   LYS  32          HZ3       LYS  32 -28.021   3.811 -10.896
 1339    H    LEU  33           H        LEU  33 -22.915  -0.905  -7.508
 1340    HA   LEU  33           HA       LEU  33 -25.393  -1.473  -6.181
 1341   1HB   LEU  33          2HB       LEU  33 -23.751  -3.158  -4.945
 1342   2HB   LEU  33          3HB       LEU  33 -24.388  -3.466  -6.548
 1343    HG   LEU  33           HG       LEU  33 -22.057  -2.089  -7.078
 1344   1HD1  LEU  33          1HD1      LEU  33 -21.705  -2.591  -4.493
 1345   2HD1  LEU  33          2HD1      LEU  33 -21.179  -4.149  -5.132
 1346   3HD1  LEU  33          3HD1      LEU  33 -20.377  -2.667  -5.655
 1347   1HD2  LEU  33          1HD2      LEU  33 -23.183  -4.341  -7.900
 1348   2HD2  LEU  33          2HD2      LEU  33 -21.479  -3.992  -8.189
 1349   3HD2  LEU  33          3HD2      LEU  33 -21.952  -5.047  -6.858
 1350    H    LEU  34           H        LEU  34 -22.476   0.198  -5.379
 1351    HA   LEU  34           HA       LEU  34 -22.530   0.072  -2.588
 1352   1HB   LEU  34          2HB       LEU  34 -21.275   1.738  -4.637
 1353   2HB   LEU  34          3HB       LEU  34 -21.560   2.583  -3.129
 1354    HG   LEU  34           HG       LEU  34 -20.130  -0.058  -3.219
 1355   1HD1  LEU  34          1HD1      LEU  34 -19.217   2.517  -4.167
 1356   2HD1  LEU  34          2HD1      LEU  34 -18.238   1.934  -2.819
 1357   3HD1  LEU  34          3HD1      LEU  34 -18.436   0.938  -4.262
 1358   1HD2  LEU  34          1HD2      LEU  34 -20.432   2.161  -1.217
 1359   2HD2  LEU  34          2HD2      LEU  34 -20.853   0.455  -1.043
 1360   3HD2  LEU  34          3HD2      LEU  34 -19.157   0.947  -1.098
 1361    H    GLN  35           H        GLN  35 -23.764   2.671  -4.698
 1362    HA   GLN  35           HA       GLN  35 -24.877   4.071  -2.493
 1363   1HB   GLN  35          2HB       GLN  35 -25.776   5.619  -4.176
 1364   2HB   GLN  35          3HB       GLN  35 -24.072   5.273  -4.430
 1365   1HG   GLN  35          2HG       GLN  35 -24.649   4.943  -6.551
 1366   2HG   GLN  35          3HG       GLN  35 -25.262   3.386  -5.994
 1367   1HE2  GLN  35          1HE2      GLN  35 -26.915   3.185  -7.402
 1368   2HE2  GLN  35          2HE2      GLN  35 -28.296   4.225  -7.428
 1369    H    GLU  36           H        GLU  36 -26.119   1.548  -4.471
 1370    HA   GLU  36           HA       GLU  36 -28.866   2.271  -3.780
 1371   1HB   GLU  36          2HB       GLU  36 -27.754   1.186  -6.078
 1372   2HB   GLU  36          3HB       GLU  36 -28.574  -0.173  -5.321
 1373   1HG   GLU  36          2HG       GLU  36 -30.556   0.577  -5.958
 1374   2HG   GLU  36          3HG       GLU  36 -30.244   2.164  -5.256
 1375    H    ASN  37           H        ASN  37 -26.372   0.201  -2.751
 1376    HA   ASN  37           HA       ASN  37 -28.305  -1.317  -1.122
 1377   1HB   ASN  37          2HB       ASN  37 -25.910  -2.212  -2.633
 1378   2HB   ASN  37          3HB       ASN  37 -26.149  -2.924  -1.041
 1379   1HD2  ASN  37          1HD2      ASN  37 -26.892  -3.136  -4.268
 1380   2HD2  ASN  37          2HD2      ASN  37 -28.214  -4.248  -4.164
 1381    HA   PRO  38           HA       PRO  38 -26.041   1.245   1.841
 1382   1HB   PRO  38          2HB       PRO  38 -28.124   0.201   3.659
 1383   2HB   PRO  38          3HB       PRO  38 -27.679   1.870   3.297
 1384   1HG   PRO  38          2HG       PRO  38 -29.949   0.827   2.361
 1385   2HG   PRO  38          3HG       PRO  38 -28.979   1.942   1.381
 1386   1HD   PRO  38          2HD       PRO  38 -29.159  -1.045   1.228
 1387   2HD   PRO  38          3HD       PRO  38 -29.119   0.149  -0.087
 1388    H    ASP  39           H        ASP  39 -26.420  -2.109   1.728
 1389    HA   ASP  39           HA       ASP  39 -24.949  -2.515   4.225
 1390   1HB   ASP  39          2HB       ASP  39 -26.993  -3.983   3.019
 1391   2HB   ASP  39          3HB       ASP  39 -25.541  -4.940   2.739
 1392    H    ILE  40           H        ILE  40 -24.528  -2.372   0.836
 1393    HA   ILE  40           HA       ILE  40 -22.045  -3.871   0.833
 1394    HB   ILE  40           HB       ILE  40 -23.285  -2.162  -1.336
 1395   1HG1  ILE  40          2HG1      ILE  40 -23.239  -5.150  -0.858
 1396   2HG1  ILE  40          3HG1      ILE  40 -24.652  -4.103  -0.894
 1397   1HG2  ILE  40          1HG2      ILE  40 -20.840  -3.916  -1.311
 1398   2HG2  ILE  40          2HG2      ILE  40 -21.650  -3.425  -2.797
 1399   3HG2  ILE  40          3HG2      ILE  40 -20.954  -2.207  -1.729
 1400   1HD1  ILE  40          1HD1      ILE  40 -23.274  -3.850  -3.368
 1401   2HD1  ILE  40          2HD1      ILE  40 -23.498  -5.561  -3.007
 1402   3HD1  ILE  40          3HD1      ILE  40 -24.891  -4.481  -3.055
 1403    H    THR  41           H        THR  41 -20.453  -2.940   1.929
 1404    HA   THR  41           HA       THR  41 -20.164  -0.035   1.859
 1405    HB   THR  41           HB       THR  41 -18.248  -1.484   3.514
 1406    HG1  THR  41           HG1      THR  41 -20.929  -2.220   3.562
 1407   1HG2  THR  41          1HG2      THR  41 -20.006   0.853   3.624
 1408   2HG2  THR  41          2HG2      THR  41 -19.834   0.016   5.165
 1409   3HG2  THR  41          3HG2      THR  41 -18.404   0.612   4.315
 1410    H    LEU  42           H        LEU  42 -18.263   1.009   1.206
 1411    HA   LEU  42           HA       LEU  42 -16.423  -0.654  -0.370
 1412   1HB   LEU  42          2HB       LEU  42 -17.363   1.151  -1.674
 1413   2HB   LEU  42          3HB       LEU  42 -16.968   2.319  -0.431
 1414    HG   LEU  42           HG       LEU  42 -14.506   1.601  -0.912
 1415   1HD1  LEU  42          1HD1      LEU  42 -15.995   0.145  -2.914
 1416   2HD1  LEU  42          2HD1      LEU  42 -14.812   1.231  -3.642
 1417   3HD1  LEU  42          3HD1      LEU  42 -14.294   0.025  -2.464
 1418   1HD2  LEU  42          1HD2      LEU  42 -15.827   3.775  -1.491
 1419   2HD2  LEU  42          2HD2      LEU  42 -14.272   3.455  -2.261
 1420   3HD2  LEU  42          3HD2      LEU  42 -15.772   3.139  -3.136
 1421    H    ILE  43           H        ILE  43 -14.475  -1.039   0.421
 1422    HA   ILE  43           HA       ILE  43 -13.510   0.653   2.628
 1423    HB   ILE  43           HB       ILE  43 -12.950  -2.223   1.936
 1424   1HG1  ILE  43          2HG1      ILE  43 -13.232  -1.611   4.722
 1425   2HG1  ILE  43          3HG1      ILE  43 -14.549  -0.856   3.827
 1426   1HG2  ILE  43          1HG2      ILE  43 -11.124  -0.291   3.214
 1427   2HG2  ILE  43          2HG2      ILE  43 -11.330  -1.820   4.064
 1428   3HG2  ILE  43          3HG2      ILE  43 -10.772  -1.811   2.392
 1429   1HD1  ILE  43          1HD1      ILE  43 -13.820  -3.743   3.483
 1430   2HD1  ILE  43          2HD1      ILE  43 -14.949  -3.186   4.715
 1431   3HD1  ILE  43          3HD1      ILE  43 -15.307  -2.922   3.010
 1432    H    ASP  44           H        ASP  44 -12.107   2.119   2.013
 1433    HA   ASP  44           HA       ASP  44 -10.504   1.581  -0.378
 1434   1HB   ASP  44          2HB       ASP  44 -11.182   3.650  -0.931
 1435   2HB   ASP  44          3HB       ASP  44 -11.800   3.954   0.684
 1436    H    VAL  45           H        VAL  45  -8.392   1.401  -0.307
 1437    HA   VAL  45           HA       VAL  45  -7.017   1.889   2.244
 1438    HB   VAL  45           HB       VAL  45  -5.815  -0.239   0.633
 1439   1HG1  VAL  45          1HG1      VAL  45  -5.627   0.589   3.183
 1440   2HG1  VAL  45          2HG1      VAL  45  -6.777  -0.739   3.373
 1441   3HG1  VAL  45          3HG1      VAL  45  -5.194  -1.037   2.653
 1442   1HG2  VAL  45          1HG2      VAL  45  -8.312  -0.597   0.260
 1443   2HG2  VAL  45          2HG2      VAL  45  -7.402  -1.954   0.926
 1444   3HG2  VAL  45          3HG2      VAL  45  -8.399  -0.958   1.985
 1445    H    ARG  46           H        ARG  46  -6.038   3.729   1.693
 1446    HA   ARG  46           HA       ARG  46  -3.939   3.703  -0.287
 1447   1HB   ARG  46          2HB       ARG  46  -5.519   4.294  -1.874
 1448   2HB   ARG  46          3HB       ARG  46  -6.557   5.088  -0.704
 1449   1HG   ARG  46          2HG       ARG  46  -5.823   6.894  -1.869
 1450   2HG   ARG  46          3HG       ARG  46  -4.573   6.821  -0.627
 1451   1HD   ARG  46          2HD       ARG  46  -3.607   5.147  -2.590
 1452   2HD   ARG  46          3HD       ARG  46  -4.374   6.444  -3.509
 1453    HE   ARG  46           HE       ARG  46  -2.759   7.502  -1.427
 1454   1HH1  ARG  46          1HH1      ARG  46  -2.575   6.096  -4.631
 1455   2HH1  ARG  46          2HH1      ARG  46  -1.069   6.869  -5.013
 1456   1HH2  ARG  46          1HH2      ARG  46  -0.793   8.531  -1.945
 1457   2HH2  ARG  46          2HH2      ARG  46  -0.064   8.244  -3.506
 1458    H    ASP  47           H        ASP  47  -2.581   5.592  -0.120
 1459    HA   ASP  47           HA       ASP  47  -2.108   6.409   2.503
 1460   1HB   ASP  47          2HB       ASP  47  -0.158   6.921   1.526
 1461   2HB   ASP  47          3HB       ASP  47  -0.890   6.741  -0.065
 1462    HA   PRO  48           HA       PRO  48  -4.947   9.652   3.217
 1463   1HB   PRO  48          2HB       PRO  48  -3.575  11.076   5.094
 1464   2HB   PRO  48          3HB       PRO  48  -4.359   9.527   5.416
 1465   1HG   PRO  48          2HG       PRO  48  -1.480  10.111   4.846
 1466   2HG   PRO  48          3HG       PRO  48  -2.185   9.010   6.044
 1467   1HD   PRO  48          2HD       PRO  48  -1.178   8.137   3.699
 1468   2HD   PRO  48          3HD       PRO  48  -2.562   7.354   4.489
 1469    H    ASP  49           H        ASP  49  -1.757  10.467   2.016
 1470    HA   ASP  49           HA       ASP  49  -2.242  13.290   1.923
 1471   1HB   ASP  49          2HB       ASP  49   0.006  11.765   1.634
 1472   2HB   ASP  49          3HB       ASP  49  -0.341  12.241  -0.034
 1473    H    GLU  50           H        GLU  50  -2.476  10.644  -0.457
 1474    HA   GLU  50           HA       GLU  50  -3.101  12.367  -2.598
 1475   1HB   GLU  50          2HB       GLU  50  -2.362  10.191  -3.192
 1476   2HB   GLU  50          3HB       GLU  50  -3.557   9.418  -2.159
 1477   1HG   GLU  50          2HG       GLU  50  -5.247   9.685  -3.673
 1478   2HG   GLU  50          3HG       GLU  50  -4.521  11.118  -4.396
 1479    H    LEU  51           H        LEU  51  -4.957  10.760  -0.120
 1480    HA   LEU  51           HA       LEU  51  -7.562  11.157  -1.049
 1481   1HB   LEU  51          2HB       LEU  51  -6.256  10.495   1.452
 1482   2HB   LEU  51          3HB       LEU  51  -7.629  11.550   1.724
 1483    HG   LEU  51           HG       LEU  51  -8.979   9.887   0.317
 1484   1HD1  LEU  51          1HD1      LEU  51  -6.464   8.748  -0.041
 1485   2HD1  LEU  51          2HD1      LEU  51  -7.298   7.671   1.079
 1486   3HD1  LEU  51          3HD1      LEU  51  -8.021   8.049  -0.484
 1487   1HD2  LEU  51          1HD2      LEU  51  -8.863  10.178   2.890
 1488   2HD2  LEU  51          2HD2      LEU  51  -9.604   8.725   2.221
 1489   3HD2  LEU  51          3HD2      LEU  51  -7.959   8.665   2.851
 1490    H    LYS  52           H        LYS  52  -5.293  13.308   0.508
 1491    HA   LYS  52           HA       LYS  52  -7.192  15.447   0.866
 1492   1HB   LYS  52          2HB       LYS  52  -4.330  14.983   1.439
 1493   2HB   LYS  52          3HB       LYS  52  -4.769  16.649   1.088
 1494   1HG   LYS  52          2HG       LYS  52  -5.667  16.920   3.096
 1495   2HG   LYS  52          3HG       LYS  52  -6.627  15.448   2.941
 1496   1HD   LYS  52          2HD       LYS  52  -5.111  15.318   4.855
 1497   2HD   LYS  52          3HD       LYS  52  -4.699  14.112   3.633
 1498   1HE   LYS  52          2HE       LYS  52  -3.142  16.175   2.839
 1499   2HE   LYS  52          3HE       LYS  52  -3.184  16.457   4.579
 1500   1HZ   LYS  52          HZ1       LYS  52  -2.727  13.711   3.902
 1501   2HZ   LYS  52          HZ2       LYS  52  -1.522  14.733   3.290
 1502   3HZ   LYS  52          HZ3       LYS  52  -1.864  14.721   4.956
 1503    H    ALA  53           H        ALA  53  -4.594  14.643  -1.378
 1504    HA   ALA  53           HA       ALA  53  -4.733  17.143  -2.736
 1505   1HB   ALA  53          1HB       ALA  53  -2.937  14.982  -2.597
 1506   2HB   ALA  53          2HB       ALA  53  -3.369  15.186  -4.296
 1507   3HB   ALA  53          3HB       ALA  53  -2.710  16.544  -3.383
 1508    H    MET  54           H        MET  54  -5.686  13.833  -3.664
 1509    HA   MET  54           HA       MET  54  -6.903  14.913  -6.097
 1510   1HB   MET  54          2HB       MET  54  -6.009  12.215  -5.194
 1511   2HB   MET  54          3HB       MET  54  -7.312  12.293  -6.373
 1512   1HG   MET  54          2HG       MET  54  -5.332  14.060  -7.277
 1513   2HG   MET  54          3HG       MET  54  -4.494  12.602  -6.754
 1514   1HE   MET  54          1HE       MET  54  -5.259  10.401  -7.174
 1515   2HE   MET  54          2HE       MET  54  -6.339   9.842  -8.450
 1516   3HE   MET  54          3HE       MET  54  -4.647  10.180  -8.814
 1517    H    GLY  55           H        GLY  55  -7.745  13.305  -3.103
 1518   1HA   GLY  55          1HA       GLY  55  -9.956  14.018  -2.220
 1519   2HA   GLY  55          2HA       GLY  55 -10.590  13.624  -3.812
 1520    H    LYS  56           H        LYS  56 -11.885  12.446  -1.897
 1521    HA   LYS  56           HA       LYS  56 -11.000   9.654  -2.059
 1522   1HB   LYS  56          2HB       LYS  56 -11.799   9.258   0.249
 1523   2HB   LYS  56          3HB       LYS  56 -10.440  10.370   0.197
 1524   1HG   LYS  56          2HG       LYS  56 -11.608  11.963   1.206
 1525   2HG   LYS  56          3HG       LYS  56 -12.945  11.791   0.069
 1526   1HD   LYS  56          2HD       LYS  56 -14.060  10.280   1.394
 1527   2HD   LYS  56          3HD       LYS  56 -12.587   9.729   2.192
 1528   1HE   LYS  56          2HE       LYS  56 -12.677  12.337   2.958
 1529   2HE   LYS  56          3HE       LYS  56 -14.393  11.941   2.868
 1530   1HZ   LYS  56          HZ1       LYS  56 -12.539  10.136   4.282
 1531   2HZ   LYS  56          HZ2       LYS  56 -13.099  11.540   5.052
 1532   3HZ   LYS  56          HZ3       LYS  56 -14.202  10.363   4.522
 1533    HA   PRO  57           HA       PRO  57 -15.014   8.841  -3.634
 1534   1HB   PRO  57          2HB       PRO  57 -15.683   6.540  -2.217
 1535   2HB   PRO  57          3HB       PRO  57 -14.749   6.594  -3.714
 1536   1HG   PRO  57          2HG       PRO  57 -13.800   6.380  -0.891
 1537   2HG   PRO  57          3HG       PRO  57 -13.156   5.612  -2.354
 1538   1HD   PRO  57          2HD       PRO  57 -11.939   7.722  -1.232
 1539   2HD   PRO  57          3HD       PRO  57 -12.000   7.520  -2.996
 1540    H    ASP  58           H        ASP  58 -16.833   9.853  -3.198
 1541    HA   ASP  58           HA       ASP  58 -17.688  10.147  -0.405
 1542   1HB   ASP  58          2HB       ASP  58 -17.494  12.274  -1.467
 1543   2HB   ASP  58          3HB       ASP  58 -18.339  11.714  -2.906
 1544    H    VAL  59           H        VAL  59 -18.688   8.194  -0.073
 1545    HA   VAL  59           HA       VAL  59 -21.244   7.900  -1.476
 1546    HB   VAL  59           HB       VAL  59 -21.116   5.552  -1.607
 1547   1HG1  VAL  59          1HG1      VAL  59 -19.577   6.901  -3.171
 1548   2HG1  VAL  59          2HG1      VAL  59 -18.260   6.214  -2.220
 1549   3HG1  VAL  59          3HG1      VAL  59 -19.370   5.152  -3.088
 1550   1HG2  VAL  59          1HG2      VAL  59 -20.163   5.221   0.662
 1551   2HG2  VAL  59          2HG2      VAL  59 -19.471   4.160  -0.567
 1552   3HG2  VAL  59          3HG2      VAL  59 -18.567   5.567  -0.005
 1553    H    LYS  60           H        LYS  60 -22.802   6.574  -0.103
 1554    HA   LYS  60           HA       LYS  60 -22.988   7.849   2.414
 1555   1HB   LYS  60          2HB       LYS  60 -24.581   5.386   1.816
 1556   2HB   LYS  60          3HB       LYS  60 -25.072   6.852   2.649
 1557   1HG   LYS  60          2HG       LYS  60 -25.941   7.662   0.788
 1558   2HG   LYS  60          3HG       LYS  60 -24.405   7.484  -0.059
 1559   1HD   LYS  60          2HD       LYS  60 -25.709   6.098  -1.330
 1560   2HD   LYS  60          3HD       LYS  60 -25.143   4.943  -0.120
 1561   1HE   LYS  60          2HE       LYS  60 -27.338   4.480   0.095
 1562   2HE   LYS  60          3HE       LYS  60 -27.341   5.915   1.116
 1563   1HZ   LYS  60          HZ1       LYS  60 -27.644   6.759  -1.524
 1564   2HZ   LYS  60          HZ2       LYS  60 -28.729   5.475  -1.285
 1565   3HZ   LYS  60          HZ3       LYS  60 -28.779   6.830  -0.270
 1566    H    ASN  61           H        ASN  61 -21.776   4.761   1.417
 1567    HA   ASN  61           HA       ASN  61 -21.221   4.076   4.220
 1568   1HB   ASN  61          2HB       ASN  61 -21.570   1.646   3.397
 1569   2HB   ASN  61          3HB       ASN  61 -22.985   2.639   3.701
 1570   1HD2  ASN  61          1HD2      ASN  61 -23.777   0.784   2.308
 1571   2HD2  ASN  61          2HD2      ASN  61 -23.812   1.057   0.599
 1572    H    TYR  62           H        TYR  62 -19.119   5.021   3.772
 1573    HA   TYR  62           HA       TYR  62 -17.333   3.055   2.519
 1574   1HB   TYR  62          HB2       TYR  62 -16.995   4.635   0.910
 1575   2HB   TYR  62          HB3       TYR  62 -17.599   5.940   1.919
 1576    HD1  TYR  62           HD1      TYR  62 -14.621   3.736   1.484
 1577    HD2  TYR  62           HD2      TYR  62 -16.110   7.505   2.781
 1578    HE1  TYR  62           HE1      TYR  62 -12.323   4.512   1.846
 1579    HE2  TYR  62           HE2      TYR  62 -13.810   8.295   3.142
 1580    HH   TYR  62           HH       TYR  62 -11.046   6.487   2.047
 1581    H    LYS  63           H        LYS  63 -15.448   2.633   3.636
 1582    HA   LYS  63           HA       LYS  63 -14.855   4.323   5.945
 1583   1HB   LYS  63          2HB       LYS  63 -14.139   1.900   6.940
 1584   2HB   LYS  63          3HB       LYS  63 -15.615   2.759   7.342
 1585   1HG   LYS  63          2HG       LYS  63 -16.799   1.485   5.609
 1586   2HG   LYS  63          3HG       LYS  63 -15.314   0.576   5.293
 1587   1HD   LYS  63          2HD       LYS  63 -15.333  -0.403   7.427
 1588   2HD   LYS  63          3HD       LYS  63 -16.482   0.783   8.044
 1589   1HE   LYS  63          2HE       LYS  63 -17.702  -0.566   5.866
 1590   2HE   LYS  63          3HE       LYS  63 -16.993  -1.783   6.921
 1591   1HZ   LYS  63          HZ1       LYS  63 -18.673   0.400   8.001
 1592   2HZ   LYS  63          HZ2       LYS  63 -19.363  -1.036   7.418
 1593   3HZ   LYS  63          HZ3       LYS  63 -18.275  -1.084   8.719
 1594    H    HIS  64           H        HIS  64 -12.748   4.717   6.239
 1595    HA   HIS  64           HA       HIS  64 -10.855   3.629   4.305
 1596   1HB   HIS  64          2HB       HIS  64 -11.074   6.122   5.037
 1597   2HB   HIS  64          3HB       HIS  64 -10.219   5.615   6.487
 1598    HD1  HIS  64           HD1      HIS  64  -8.052   6.836   6.075
 1599    HD2  HIS  64           HD2      HIS  64  -9.193   4.433   2.883
 1600    HE1  HIS  64           HE1      HIS  64  -6.111   6.865   4.476
 1601    HE2  HIS  64           HE2      HIS  64  -6.922   5.585   2.467
 1602    H    MET  65           H        MET  65  -9.698   1.830   4.829
 1603    HA   MET  65           HA       MET  65  -9.276   1.315   7.702
 1604   1HB   MET  65          2HB       MET  65 -10.253  -0.357   5.647
 1605   2HB   MET  65          3HB       MET  65  -8.638  -0.939   6.028
 1606   1HG   MET  65          2HG       MET  65  -9.230  -1.675   8.066
 1607   2HG   MET  65          3HG       MET  65 -10.357  -0.348   8.340
 1608   1HE   MET  65          1HE       MET  65 -12.351  -0.004   7.249
 1609   2HE   MET  65          2HE       MET  65 -13.252  -1.109   6.210
 1610   3HE   MET  65          3HE       MET  65 -13.443  -1.193   7.961
 1611    H    SER  66           H        SER  66  -7.403   2.560   7.937
 1612    HA   SER  66           HA       SER  66  -5.157   1.818   6.194
 1613   1HB   SER  66          2HB       SER  66  -4.602   4.243   7.535
 1614   2HB   SER  66          3HB       SER  66  -4.973   4.013   5.825
 1615    HG   SER  66           HG       SER  66  -6.848   4.428   7.928
 1616    H    ARG  67           H        ARG  67  -4.738   0.015   7.635
 1617    HA   ARG  67           HA       ARG  67  -3.248   0.885  10.026
 1618   1HB   ARG  67          2HB       ARG  67  -5.126  -1.071   9.978
 1619   2HB   ARG  67          3HB       ARG  67  -3.682  -2.013   9.626
 1620   1HG   ARG  67          2HG       ARG  67  -4.259  -1.898  12.038
 1621   2HG   ARG  67          3HG       ARG  67  -2.639  -1.312  11.658
 1622   1HD   ARG  67          2HD       ARG  67  -4.428   0.887  11.489
 1623   2HD   ARG  67          3HD       ARG  67  -4.756   0.039  13.001
 1624    HE   ARG  67           HE       ARG  67  -2.220   1.298  12.219
 1625   1HH1  ARG  67          1HH1      ARG  67  -4.229  -0.217  14.675
 1626   2HH1  ARG  67          2HH1      ARG  67  -3.115   0.143  15.968
 1627   1HH2  ARG  67          1HH2      ARG  67  -0.760   1.731  13.908
 1628   2HH2  ARG  67          2HH2      ARG  67  -1.146   1.230  15.532
 1629    H    GLY  68           H        GLY  68  -1.967  -2.039   9.602
 1630   1HA   GLY  68          1HA       GLY  68   0.147  -1.079   7.834
 1631   2HA   GLY  68          2HA       GLY  68   0.117  -2.612   8.704
 1632    H    LYS  69           H        LYS  69  -2.347  -3.521   8.069
 1633    HA   LYS  69           HA       LYS  69  -2.760  -3.349   5.229
 1634   1HB   LYS  69          2HB       LYS  69  -1.538  -5.720   6.434
 1635   2HB   LYS  69          3HB       LYS  69  -3.011  -6.080   5.543
 1636   1HG   LYS  69          2HG       LYS  69  -0.689  -4.532   4.416
 1637   2HG   LYS  69          3HG       LYS  69  -0.931  -6.266   4.199
 1638   1HD   LYS  69          2HD       LYS  69  -1.924  -5.521   2.286
 1639   2HD   LYS  69          3HD       LYS  69  -3.316  -5.441   3.366
 1640   1HE   LYS  69          2HE       LYS  69  -3.308  -3.387   2.232
 1641   2HE   LYS  69          3HE       LYS  69  -2.627  -3.032   3.817
 1642   1HZ   LYS  69          HZ1       LYS  69  -0.473  -3.680   2.256
 1643   2HZ   LYS  69          HZ2       LYS  69  -1.451  -2.749   1.237
 1644   3HZ   LYS  69          HZ3       LYS  69  -0.940  -2.121   2.729
 1645    H    LEU  70           H        LEU  70  -4.152  -2.321   7.253
 1646    HA   LEU  70           HA       LEU  70  -6.168  -2.041   8.188
 1647   1HB   LEU  70          2HB       LEU  70  -8.066  -2.510   6.867
 1648   2HB   LEU  70          3HB       LEU  70  -6.749  -2.092   5.794
 1649    HG   LEU  70           HG       LEU  70  -6.971  -4.970   6.171
 1650   1HD1  LEU  70          1HD1      LEU  70  -9.422  -3.610   6.071
 1651   2HD1  LEU  70          2HD1      LEU  70  -9.149  -4.247   4.450
 1652   3HD1  LEU  70          3HD1      LEU  70  -9.136  -5.335   5.837
 1653   1HD2  LEU  70          1HD2      LEU  70  -5.708  -3.653   4.408
 1654   2HD2  LEU  70          2HD2      LEU  70  -6.698  -4.992   3.826
 1655   3HD2  LEU  70          3HD2      LEU  70  -7.278  -3.334   3.666
 1656    H    GLU  71           H        GLU  71  -4.778  -4.916   8.458
 1657    HA   GLU  71           HA       GLU  71  -6.530  -6.839   9.111
 1658   1HB   GLU  71          2HB       GLU  71  -4.307  -6.643  11.050
 1659   2HB   GLU  71          3HB       GLU  71  -4.805  -7.985  10.031
 1660   1HG   GLU  71          2HG       GLU  71  -2.885  -7.519   8.969
 1661   2HG   GLU  71          3HG       GLU  71  -3.881  -6.322   8.146
 1662    HA   PRO  72           HA       PRO  72  -7.257  -5.746  13.671
 1663   1HB   PRO  72          2HB       PRO  72  -6.155  -3.559  14.822
 1664   2HB   PRO  72          3HB       PRO  72  -5.346  -5.126  14.749
 1665   1HG   PRO  72          2HG       PRO  72  -4.942  -2.701  13.070
 1666   2HG   PRO  72          3HG       PRO  72  -3.746  -3.850  13.690
 1667   1HD   PRO  72          2HD       PRO  72  -4.695  -3.860  11.120
 1668   2HD   PRO  72          3HD       PRO  72  -4.053  -5.293  11.943
 1669    H    LEU  73           H        LEU  73  -7.337  -3.230  11.321
 1670    HA   LEU  73           HA       LEU  73  -9.248  -1.602  12.762
 1671   1HB   LEU  73          2HB       LEU  73  -7.480  -1.204  10.614
 1672   2HB   LEU  73          3HB       LEU  73  -9.083  -1.051   9.918
 1673    HG   LEU  73           HG       LEU  73  -7.738   1.010  10.975
 1674   1HD1  LEU  73          1HD1      LEU  73  -9.956   0.919   9.756
 1675   2HD1  LEU  73          2HD1      LEU  73 -10.709   0.794  11.348
 1676   3HD1  LEU  73          3HD1      LEU  73  -9.749   2.216  10.934
 1677   1HD2  LEU  73          1HD2      LEU  73  -8.301  -0.455  13.249
 1678   2HD2  LEU  73          2HD2      LEU  73  -7.846   1.248  13.184
 1679   3HD2  LEU  73          3HD2      LEU  73  -9.549   0.792  13.228
 1680    H    LEU  74           H        LEU  74  -9.301  -4.352  10.817
 1681    HA   LEU  74           HA       LEU  74 -11.661  -4.126   9.358
 1682   1HB   LEU  74          2HB       LEU  74  -9.765  -5.969   9.537
 1683   2HB   LEU  74          3HB       LEU  74 -10.905  -6.716  10.637
 1684    HG   LEU  74           HG       LEU  74 -12.602  -6.666   8.794
 1685   1HD1  LEU  74          1HD1      LEU  74 -10.213  -5.883   7.134
 1686   2HD1  LEU  74          2HD1      LEU  74 -11.791  -6.362   6.509
 1687   3HD1  LEU  74          3HD1      LEU  74 -11.629  -4.883   7.455
 1688   1HD2  LEU  74          1HD2      LEU  74 -10.325  -8.351   9.152
 1689   2HD2  LEU  74          2HD2      LEU  74 -11.950  -8.774   8.611
 1690   3HD2  LEU  74          3HD2      LEU  74 -10.731  -8.275   7.437
 1691    H    ALA  75           H        ALA  75 -11.164  -5.598  12.558
 1692    HA   ALA  75           HA       ALA  75 -13.893  -6.135  13.039
 1693   1HB   ALA  75          1HB       ALA  75 -11.974  -7.270  14.151
 1694   2HB   ALA  75          2HB       ALA  75 -11.731  -5.811  15.111
 1695   3HB   ALA  75          3HB       ALA  75 -13.232  -6.724  15.260
 1696    H    LYS  76           H        LYS  76 -11.970  -3.303  13.486
 1697    HA   LYS  76           HA       LYS  76 -13.606  -2.111  15.493
 1698   1HB   LYS  76          2HB       LYS  76 -11.585  -0.814  13.663
 1699   2HB   LYS  76          3HB       LYS  76 -12.256  -0.108  15.126
 1700   1HG   LYS  76          2HG       LYS  76 -11.076  -2.703  15.629
 1701   2HG   LYS  76          3HG       LYS  76  -9.922  -1.573  14.913
 1702   1HD   LYS  76          2HD       LYS  76  -9.646  -1.009  17.106
 1703   2HD   LYS  76          3HD       LYS  76 -11.000   0.057  16.725
 1704   1HE   LYS  76          2HE       LYS  76 -12.075  -2.461  17.445
 1705   2HE   LYS  76          3HE       LYS  76 -10.858  -2.043  18.650
 1706   1HZ   LYS  76          HZ1       LYS  76 -12.763   0.036  17.856
 1707   2HZ   LYS  76          HZ2       LYS  76 -13.336  -1.217  18.845
 1708   3HZ   LYS  76          HZ3       LYS  76 -12.042  -0.257  19.363
 1709    H    SER  77           H        SER  77 -13.659  -2.149  12.025
 1710    HA   SER  77           HA       SER  77 -15.489   0.129  12.003
 1711   1HB   SER  77          2HB       SER  77 -14.288  -1.114   9.546
 1712   2HB   SER  77          3HB       SER  77 -14.819   0.548   9.803
 1713    HG   SER  77           HG       SER  77 -12.482  -0.736  10.752
 1714    H    GLY  78           H        GLY  78 -16.653  -2.180  12.930
 1715   1HA   GLY  78          1HA       GLY  78 -18.441  -3.604  12.598
 1716   2HA   GLY  78          2HA       GLY  78 -19.044  -2.193  11.754
 1717    H    LEU  79           H        LEU  79 -17.241  -5.207  11.296
 1718    HA   LEU  79           HA       LEU  79 -18.446  -5.367   8.626
 1719   1HB   LEU  79          2HB       LEU  79 -15.628  -6.074   9.417
 1720   2HB   LEU  79          3HB       LEU  79 -16.375  -6.639   7.931
 1721    HG   LEU  79           HG       LEU  79 -16.181  -3.719   8.605
 1722   1HD1  LEU  79          1HD1      LEU  79 -14.113  -5.559   7.554
 1723   2HD1  LEU  79          2HD1      LEU  79 -14.263  -3.976   6.789
 1724   3HD1  LEU  79          3HD1      LEU  79 -13.946  -4.094   8.520
 1725   1HD2  LEU  79          1HD2      LEU  79 -17.765  -4.668   6.829
 1726   2HD2  LEU  79          2HD2      LEU  79 -16.695  -3.348   6.356
 1727   3HD2  LEU  79          3HD2      LEU  79 -16.304  -5.007   5.900
 1728    H    ASP  80           H        ASP  80 -19.395  -7.253   8.120
 1729    HA   ASP  80           HA       ASP  80 -19.041  -9.553   9.910
 1730   1HB   ASP  80          2HB       ASP  80 -21.183  -7.951  10.188
 1731   2HB   ASP  80          3HB       ASP  80 -21.775  -8.973   8.883
 1732    HA   PRO  81           HA       PRO  81 -18.358 -11.644   6.115
 1733   1HB   PRO  81          2HB       PRO  81 -19.431 -14.041   7.488
 1734   2HB   PRO  81          3HB       PRO  81 -17.855 -13.784   6.731
 1735   1HG   PRO  81          2HG       PRO  81 -18.108 -13.826   9.381
 1736   2HG   PRO  81          3HG       PRO  81 -16.994 -12.699   8.585
 1737   1HD   PRO  81          2HD       PRO  81 -19.688 -12.184   9.772
 1738   2HD   PRO  81          3HD       PRO  81 -18.226 -11.174   9.799
 1739    H    GLU  82           H        GLU  82 -21.399 -10.861   6.949
 1740    HA   GLU  82           HA       GLU  82 -22.608 -12.582   4.893
 1741   1HB   GLU  82          2HB       GLU  82 -24.796 -11.810   5.818
 1742   2HB   GLU  82          3HB       GLU  82 -23.832 -12.733   6.962
 1743   1HG   GLU  82          2HG       GLU  82 -24.215 -11.088   8.402
 1744   2HG   GLU  82          3HG       GLU  82 -23.072 -10.136   7.456
 1745    H    LYS  83           H        LYS  83 -21.308  -9.561   5.411
 1746    HA   LYS  83           HA       LYS  83 -23.134  -8.117   3.691
 1747   1HB   LYS  83          2HB       LYS  83 -20.875  -7.430   5.482
 1748   2HB   LYS  83          3HB       LYS  83 -21.167  -6.349   4.127
 1749   1HG   LYS  83          2HG       LYS  83 -22.832  -5.384   5.213
 1750   2HG   LYS  83          3HG       LYS  83 -23.648  -6.938   5.408
 1751   1HD   LYS  83          2HD       LYS  83 -22.256  -7.385   7.396
 1752   2HD   LYS  83          3HD       LYS  83 -21.516  -5.793   7.212
 1753   1HE   LYS  83          2HE       LYS  83 -23.455  -6.065   8.881
 1754   2HE   LYS  83          3HE       LYS  83 -23.469  -4.680   7.793
 1755   1HZ   LYS  83          HZ1       LYS  83 -24.811  -7.096   6.858
 1756   2HZ   LYS  83          HZ2       LYS  83 -25.555  -6.260   8.132
 1757   3HZ   LYS  83          HZ3       LYS  83 -25.245  -5.463   6.666
 1758    HA   PRO  84           HA       PRO  84 -20.487  -8.604   0.082
 1759   1HB   PRO  84          2HB       PRO  84 -22.143  -6.797  -1.365
 1760   2HB   PRO  84          3HB       PRO  84 -22.172  -8.559  -1.441
 1761   1HG   PRO  84          2HG       PRO  84 -24.216  -6.968  -0.446
 1762   2HG   PRO  84          3HG       PRO  84 -24.002  -8.693  -0.104
 1763   1HD   PRO  84          2HD       PRO  84 -23.249  -6.319   1.551
 1764   2HD   PRO  84          3HD       PRO  84 -23.909  -7.891   2.059
 1765    H    VAL  85           H        VAL  85 -18.642  -7.477  -0.023
 1766    HA   VAL  85           HA       VAL  85 -18.776  -4.551   0.300
 1767    HB   VAL  85           HB       VAL  85 -16.346  -4.962   1.245
 1768   1HG1  VAL  85          1HG1      VAL  85 -18.924  -4.568   2.384
 1769   2HG1  VAL  85          2HG1      VAL  85 -17.990  -5.611   3.454
 1770   3HG1  VAL  85          3HG1      VAL  85 -17.356  -4.033   2.988
 1771   1HG2  VAL  85          1HG2      VAL  85 -16.854  -7.522   0.834
 1772   2HG2  VAL  85          2HG2      VAL  85 -15.890  -6.981   2.207
 1773   3HG2  VAL  85          3HG2      VAL  85 -17.591  -7.385   2.429
 1774    H    VAL  86           H        VAL  86 -17.180  -3.315  -0.774
 1775    HA   VAL  86           HA       VAL  86 -15.672  -4.767  -2.827
 1776    HB   VAL  86           HB       VAL  86 -17.373  -3.778  -4.098
 1777   1HG1  VAL  86          1HG1      VAL  86 -17.055  -1.276  -2.452
 1778   2HG1  VAL  86          2HG1      VAL  86 -18.114  -1.442  -3.853
 1779   3HG1  VAL  86          3HG1      VAL  86 -18.404  -2.410  -2.408
 1780   1HG2  VAL  86          1HG2      VAL  86 -14.771  -2.466  -4.169
 1781   2HG2  VAL  86          2HG2      VAL  86 -15.748  -3.126  -5.480
 1782   3HG2  VAL  86          3HG2      VAL  86 -16.063  -1.499  -4.879
 1783    H    VAL  87           H        VAL  87 -13.598  -4.086  -3.144
 1784    HA   VAL  87           HA       VAL  87 -12.618  -2.092  -1.219
 1785    HB   VAL  87           HB       VAL  87 -10.391  -3.195  -1.525
 1786   1HG1  VAL  87          1HG1      VAL  87 -12.725  -4.220  -0.153
 1787   2HG1  VAL  87          2HG1      VAL  87 -11.547  -5.490  -0.492
 1788   3HG1  VAL  87          3HG1      VAL  87 -11.062  -4.055   0.414
 1789   1HG2  VAL  87          1HG2      VAL  87 -11.365  -4.316  -3.741
 1790   2HG2  VAL  87          2HG2      VAL  87 -10.052  -5.035  -2.812
 1791   3HG2  VAL  87          3HG2      VAL  87 -11.701  -5.622  -2.605
 1792    H    PHE  88           H        PHE  88 -11.435  -0.389  -1.883
 1793    HA   PHE  88           HA       PHE  88 -11.133  -0.058  -4.797
 1794   1HB   PHE  88          2HB       PHE  88 -12.935   1.304  -3.682
 1795   2HB   PHE  88          3HB       PHE  88 -11.677   2.110  -2.756
 1796    HD1  PHE  88           HD1      PHE  88 -11.578   1.146  -6.342
 1797    HD2  PHE  88           HD2      PHE  88 -11.866   4.301  -3.506
 1798    HE1  PHE  88           HE1      PHE  88 -11.251   2.780  -8.140
 1799    HE2  PHE  88           HE2      PHE  88 -11.541   5.944  -5.302
 1800    HZ   PHE  88           HZ       PHE  88 -11.233   5.184  -7.621
 1801    H    CYS  89           H        CYS  89  -9.293   0.903  -5.590
 1802    HA   CYS  89           HA       CYS  89  -7.179   1.701  -5.699
 1803   1HB   CYS  89          2HB       CYS  89  -7.962   2.740  -3.246
 1804   2HB   CYS  89          3HB       CYS  89  -6.479   1.864  -2.879
 1805    H    LYS  90           H        LYS  90  -6.892  -0.490  -6.448
 1806    HA   LYS  90           HA       LYS  90  -5.731  -2.398  -4.590
 1807   1HB   LYS  90          2HB       LYS  90  -5.540  -3.745  -6.826
 1808   2HB   LYS  90          3HB       LYS  90  -7.106  -3.528  -6.057
 1809   1HG   LYS  90          2HG       LYS  90  -7.714  -2.959  -8.150
 1810   2HG   LYS  90          3HG       LYS  90  -7.115  -1.378  -7.646
 1811   1HD   LYS  90          2HD       LYS  90  -4.853  -2.704  -8.556
 1812   2HD   LYS  90          3HD       LYS  90  -6.116  -3.175  -9.695
 1813   1HE   LYS  90          2HE       LYS  90  -6.693  -0.729  -9.887
 1814   2HE   LYS  90          3HE       LYS  90  -5.221  -0.390  -8.978
 1815   1HZ   LYS  90          HZ1       LYS  90  -4.047  -1.714 -10.762
 1816   2HZ   LYS  90          HZ2       LYS  90  -5.472  -1.613 -11.666
 1817   3HZ   LYS  90          HZ3       LYS  90  -4.640  -0.200 -11.229
 1818    H    THR  91           H        THR  91  -4.428   0.203  -5.800
 1819    HA   THR  91           HA       THR  91  -2.087  -1.011  -7.024
 1820    HB   THR  91           HB       THR  91  -2.093   1.901  -6.790
 1821    HG1  THR  91           HG1      THR  91  -3.871   2.114  -8.290
 1822   1HG2  THR  91          1HG2      THR  91  -2.049   0.003  -9.142
 1823   2HG2  THR  91          2HG2      THR  91  -1.709   1.733  -9.208
 1824   3HG2  THR  91          3HG2      THR  91  -0.636   0.656  -8.314
 1825    H    ALA  92           H        ALA  92  -1.989   1.986  -5.185
 1826    HA   ALA  92           HA       ALA  92   0.502   1.625  -4.134
 1827   1HB   ALA  92          1HB       ALA  92  -1.791   3.222  -3.021
 1828   2HB   ALA  92          2HB       ALA  92  -0.134   3.341  -2.431
 1829   3HB   ALA  92          3HB       ALA  92  -0.511   3.776  -4.099
 1830    H    ALA  93           H        ALA  93  -2.328   1.487  -1.961
 1831    HA   ALA  93           HA       ALA  93  -0.866  -0.101  -0.069
 1832   1HB   ALA  93          1HB       ALA  93  -3.299   1.412  -0.076
 1833   2HB   ALA  93          2HB       ALA  93  -3.593  -0.195   0.589
 1834   3HB   ALA  93          3HB       ALA  93  -2.345   0.836   1.291
 1835    H    ARG  94           H        ARG  94  -3.042  -0.663  -2.669
 1836    HA   ARG  94           HA       ARG  94  -3.680  -2.513  -3.784
 1837   1HB   ARG  94          2HB       ARG  94  -1.286  -3.269  -3.068
 1838   2HB   ARG  94          3HB       ARG  94  -2.150  -4.315  -1.946
 1839   1HG   ARG  94          2HG       ARG  94  -3.064  -5.591  -3.628
 1840   2HG   ARG  94          3HG       ARG  94  -2.919  -4.305  -4.827
 1841   1HD   ARG  94          2HD       ARG  94  -0.306  -4.833  -4.029
 1842   2HD   ARG  94          3HD       ARG  94  -1.066  -6.418  -4.149
 1843    HE   ARG  94           HE       ARG  94  -0.719  -4.481  -6.328
 1844   1HH1  ARG  94          1HH1      ARG  94  -1.683  -7.668  -5.241
 1845   2HH1  ARG  94          2HH1      ARG  94  -1.688  -8.355  -6.836
 1846   1HH2  ARG  94          1HH2      ARG  94  -0.714  -5.384  -8.442
 1847   2HH2  ARG  94          2HH2      ARG  94  -1.150  -7.053  -8.645
 1848    H    ALA  95           H        ALA  95  -5.765  -2.175  -3.085
 1849    HA   ALA  95           HA       ALA  95  -6.910  -3.092  -0.699
 1850   1HB   ALA  95          1HB       ALA  95  -7.980  -2.343  -3.384
 1851   2HB   ALA  95          2HB       ALA  95  -9.049  -3.058  -2.178
 1852   3HB   ALA  95          3HB       ALA  95  -8.203  -1.553  -1.822
 1853    H    ALA  96           H        ALA  96  -5.764  -4.876  -3.336
 1854    HA   ALA  96           HA       ALA  96  -7.540  -7.021  -3.488
 1855   1HB   ALA  96          1HB       ALA  96  -5.098  -6.340  -4.630
 1856   2HB   ALA  96          2HB       ALA  96  -4.795  -7.865  -3.798
 1857   3HB   ALA  96          3HB       ALA  96  -6.082  -7.757  -4.999
 1858    H    LEU  97           H        LEU  97  -5.009  -6.275  -1.181
 1859    HA   LEU  97           HA       LEU  97  -5.012  -8.863   0.054
 1860   1HB   LEU  97          2HB       LEU  97  -3.670  -6.295   0.482
 1861   2HB   LEU  97          3HB       LEU  97  -4.050  -7.142   1.972
 1862    HG   LEU  97           HG       LEU  97  -1.787  -7.657   1.206
 1863   1HD1  LEU  97          1HD1      LEU  97  -3.560  -9.394   2.198
 1864   2HD1  LEU  97          2HD1      LEU  97  -3.178 -10.210   0.683
 1865   3HD1  LEU  97          3HD1      LEU  97  -1.892  -9.828   1.827
 1866   1HD2  LEU  97          1HD2      LEU  97  -2.996  -7.755  -1.341
 1867   2HD2  LEU  97          2HD2      LEU  97  -1.294  -7.984  -0.934
 1868   3HD2  LEU  97          3HD2      LEU  97  -2.381  -9.373  -1.002
 1869    H    ALA  98           H        ALA  98  -6.879  -5.959   0.366
 1870    HA   ALA  98           HA       ALA  98  -7.991  -6.557   2.931
 1871   1HB   ALA  98          1HB       ALA  98  -8.711  -4.630   0.740
 1872   2HB   ALA  98          2HB       ALA  98  -9.722  -4.827   2.172
 1873   3HB   ALA  98          3HB       ALA  98  -8.050  -4.287   2.340
 1874    H    GLY  99           H        GLY  99  -9.049  -6.942  -0.423
 1875   1HA   GLY  99          1HA       GLY  99 -11.570  -8.061   0.390
 1876   2HA   GLY  99          2HA       GLY  99 -11.012  -7.829  -1.257
 1877    H    LYS 100           H        LYS 100  -8.696  -9.373  -1.269
 1878    HA   LYS 100           HA       LYS 100  -9.843 -11.870  -1.790
 1879   1HB   LYS 100          2HB       LYS 100  -7.874 -12.366  -2.796
 1880   2HB   LYS 100          3HB       LYS 100  -7.592 -10.642  -2.593
 1881   1HG   LYS 100          2HG       LYS 100  -5.861 -10.991  -1.244
 1882   2HG   LYS 100          3HG       LYS 100  -6.745 -12.171  -0.275
 1883   1HD   LYS 100          2HD       LYS 100  -6.184 -13.338  -2.808
 1884   2HD   LYS 100          3HD       LYS 100  -4.693 -12.629  -2.184
 1885   1HE   LYS 100          2HE       LYS 100  -4.457 -14.339  -0.791
 1886   2HE   LYS 100          3HE       LYS 100  -5.998 -13.942  -0.038
 1887   1HZ   LYS 100          HZ1       LYS 100  -6.993 -15.220  -2.022
 1888   2HZ   LYS 100          HZ2       LYS 100  -5.435 -15.877  -2.188
 1889   3HZ   LYS 100          HZ3       LYS 100  -6.299 -16.102  -0.745
 1890    H    THR 101           H        THR 101  -8.109 -10.685   1.006
 1891    HA   THR 101           HA       THR 101  -7.851 -13.227   2.274
 1892    HB   THR 101           HB       THR 101  -7.828 -10.565   3.681
 1893    HG1  THR 101           HG1      THR 101  -6.187 -10.063   2.450
 1894   1HG2  THR 101          1HG2      THR 101  -7.675 -12.689   5.005
 1895   2HG2  THR 101          2HG2      THR 101  -6.179 -13.049   4.142
 1896   3HG2  THR 101          3HG2      THR 101  -6.282 -11.621   5.173
 1897    H    LEU 102           H        LEU 102 -10.249 -10.651   2.307
 1898    HA   LEU 102           HA       LEU 102 -11.690 -11.545   4.555
 1899   1HB   LEU 102          2HB       LEU 102 -12.165  -9.649   2.335
 1900   2HB   LEU 102          3HB       LEU 102 -13.583 -10.233   3.187
 1901    HG   LEU 102           HG       LEU 102 -11.272  -8.664   4.303
 1902   1HD1  LEU 102          1HD1      LEU 102 -13.858  -8.002   3.340
 1903   2HD1  LEU 102          2HD1      LEU 102 -13.829  -7.725   5.084
 1904   3HD1  LEU 102          3HD1      LEU 102 -12.636  -6.941   4.045
 1905   1HD2  LEU 102          1HD2      LEU 102 -13.465 -10.080   5.807
 1906   2HD2  LEU 102          2HD2      LEU 102 -11.739 -10.439   5.875
 1907   3HD2  LEU 102          3HD2      LEU 102 -12.347  -8.905   6.502
 1908    H    ARG 103           H        ARG 103 -12.120 -12.206   1.079
 1909    HA   ARG 103           HA       ARG 103 -14.492 -13.738   1.402
 1910   1HB   ARG 103          2HB       ARG 103 -13.862 -14.713  -0.862
 1911   2HB   ARG 103          3HB       ARG 103 -14.086 -12.972  -0.794
 1912   1HG   ARG 103          2HG       ARG 103 -11.961 -12.554  -1.340
 1913   2HG   ARG 103          3HG       ARG 103 -11.331 -13.873  -0.356
 1914   1HD   ARG 103          2HD       ARG 103 -12.860 -14.650  -2.744
 1915   2HD   ARG 103          3HD       ARG 103 -11.323 -13.845  -3.040
 1916    HE   ARG 103           HE       ARG 103 -10.189 -15.650  -2.127
 1917   1HH1  ARG 103          1HH1      ARG 103 -13.662 -16.104  -1.898
 1918   2HH1  ARG 103          2HH1      ARG 103 -13.548 -17.782  -1.464
 1919   1HH2  ARG 103          1HH2      ARG 103 -10.037 -17.867  -1.571
 1920   2HH2  ARG 103          2HH2      ARG 103 -11.488 -18.778  -1.265
 1921    H    GLU 104           H        GLU 104 -11.151 -14.398   1.822
 1922    HA   GLU 104           HA       GLU 104 -11.287 -17.248   1.796
 1923   1HB   GLU 104          2HB       GLU 104  -9.278 -15.208   2.640
 1924   2HB   GLU 104          3HB       GLU 104  -9.077 -16.870   3.175
 1925   1HG   GLU 104          2HG       GLU 104  -9.542 -17.219   0.527
 1926   2HG   GLU 104          3HG       GLU 104  -8.692 -15.675   0.533
 1927    H    TYR 105           H        TYR 105 -12.527 -15.006   3.944
 1928    HA   TYR 105           HA       TYR 105 -12.261 -16.870   6.207
 1929   1HB   TYR 105          HB2       TYR 105 -12.879 -13.910   6.222
 1930   2HB   TYR 105          HB3       TYR 105 -12.893 -14.942   7.653
 1931    HD1  TYR 105           HD1      TYR 105 -10.499 -16.660   6.823
 1932    HD2  TYR 105           HD2      TYR 105 -11.109 -12.449   6.910
 1933    HE1  TYR 105           HE1      TYR 105  -8.077 -16.324   7.079
 1934    HE2  TYR 105           HE2      TYR 105  -8.685 -12.104   7.159
 1935    HH   TYR 105           HH       TYR 105  -6.596 -13.318   6.658
 1936    H    GLY 106           H        GLY 106 -14.425 -15.579   3.922
 1937   1HA   GLY 106          1HA       GLY 106 -16.395 -17.022   3.681
 1938   2HA   GLY 106          2HA       GLY 106 -16.629 -16.852   5.411
 1939    H    PHE 107           H        PHE 107 -15.737 -14.134   3.393
 1940    HA   PHE 107           HA       PHE 107 -18.129 -12.740   4.159
 1941   1HB   PHE 107          2HB       PHE 107 -15.626 -12.073   2.756
 1942   2HB   PHE 107          3HB       PHE 107 -17.045 -11.194   2.191
 1943    HD1  PHE 107           HD1      PHE 107 -15.464 -12.214   5.409
 1944    HD2  PHE 107           HD2      PHE 107 -17.535  -9.207   3.226
 1945    HE1  PHE 107           HE1      PHE 107 -15.294 -10.706   7.340
 1946    HE2  PHE 107           HE2      PHE 107 -17.364  -7.685   5.152
 1947    HZ   PHE 107           HZ       PHE 107 -16.244  -8.435   7.212
 1948    H    LYS 108           H        LYS 108 -19.699 -11.913   2.661
 1949    HA   LYS 108           HA       LYS 108 -20.714 -13.949   1.027
 1950   1HB   LYS 108          2HB       LYS 108 -21.853 -11.903   2.265
 1951   2HB   LYS 108          3HB       LYS 108 -21.661 -11.138   0.694
 1952   1HG   LYS 108          2HG       LYS 108 -22.860 -13.105  -0.299
 1953   2HG   LYS 108          3HG       LYS 108 -23.224 -13.619   1.351
 1954   1HD   LYS 108          2HD       LYS 108 -23.936 -10.945   1.316
 1955   2HD   LYS 108          3HD       LYS 108 -24.446 -11.537  -0.268
 1956   1HE   LYS 108          2HE       LYS 108 -26.215 -12.503   0.657
 1957   2HE   LYS 108          3HE       LYS 108 -25.157 -13.484   1.668
 1958   1HZ   LYS 108          HZ1       LYS 108 -25.104 -11.178   2.993
 1959   2HZ   LYS 108          HZ2       LYS 108 -26.664 -11.091   2.333
 1960   3HZ   LYS 108          HZ3       LYS 108 -26.226 -12.410   3.309
 1961    H    THR 109           H        THR 109 -20.689 -10.771  -0.379
 1962    HA   THR 109           HA       THR 109 -19.258 -11.861  -2.703
 1963    HB   THR 109           HB       THR 109 -20.825  -9.489  -3.263
 1964    HG1  THR 109           HG1      THR 109 -22.839 -10.271  -2.781
 1965   1HG2  THR 109          1HG2      THR 109 -19.920 -11.218  -4.871
 1966   2HG2  THR 109          2HG2      THR 109 -21.193 -12.297  -4.300
 1967   3HG2  THR 109          3HG2      THR 109 -21.613 -10.784  -5.101
 1968    H    ILE 110           H        ILE 110 -17.252 -11.092  -2.737
 1969    HA   ILE 110           HA       ILE 110 -16.821  -8.325  -1.860
 1970    HB   ILE 110           HB       ILE 110 -15.726 -10.237  -0.586
 1971   1HG1  ILE 110          2HG1      ILE 110 -13.485  -8.544  -1.420
 1972   2HG1  ILE 110          3HG1      ILE 110 -14.954  -7.653  -1.027
 1973   1HG2  ILE 110          1HG2      ILE 110 -14.731 -10.868  -3.160
 1974   2HG2  ILE 110          2HG2      ILE 110 -13.361 -10.401  -2.149
 1975   3HG2  ILE 110          3HG2      ILE 110 -14.439 -11.699  -1.632
 1976   1HD1  ILE 110          1HD1      ILE 110 -14.626  -9.584   0.986
 1977   2HD1  ILE 110          2HD1      ILE 110 -13.048  -8.848   0.722
 1978   3HD1  ILE 110          3HD1      ILE 110 -14.437  -7.833   1.112
 1979    H    TYR 111           H        TYR 111 -16.110  -6.872  -3.271
 1980    HA   TYR 111           HA       TYR 111 -15.302  -7.848  -5.931
 1981   1HB   TYR 111          HB2       TYR 111 -16.458  -5.122  -5.463
 1982   2HB   TYR 111          HB3       TYR 111 -16.479  -6.097  -6.925
 1983    HD1  TYR 111           HD1      TYR 111 -18.156  -7.842  -7.231
 1984    HD2  TYR 111           HD2      TYR 111 -18.122  -5.425  -3.727
 1985    HE1  TYR 111           HE1      TYR 111 -20.452  -8.559  -6.717
 1986    HE2  TYR 111           HE2      TYR 111 -20.417  -6.137  -3.206
 1987    HH   TYR 111           HH       TYR 111 -22.355  -7.887  -5.483
 1988    H    ASN 112           H        ASN 112 -13.675  -6.761  -7.041
 1989    HA   ASN 112           HA       ASN 112 -12.090  -4.853  -5.442
 1990   1HB   ASN 112          2HB       ASN 112 -11.097  -7.210  -6.044
 1991   2HB   ASN 112          3HB       ASN 112 -10.859  -6.491  -7.634
 1992   1HD2  ASN 112          1HD2      ASN 112  -8.955  -7.398  -5.555
 1993   2HD2  ASN 112          2HD2      ASN 112  -7.927  -6.033  -5.262
 1994    H    SER 113           H        SER 113 -11.426  -3.002  -6.458
 1995    HA   SER 113           HA       SER 113 -12.942  -2.323  -8.833
 1996   1HB   SER 113          2HB       SER 113 -11.178  -0.582  -7.108
 1997   2HB   SER 113          3HB       SER 113 -12.384  -0.030  -8.276
 1998    HG   SER 113           HG       SER 113 -12.821  -1.419  -5.835
 1999    H    GLU 114           H        GLU 114 -12.038  -2.837 -10.738
 2000    HA   GLU 114           HA       GLU 114  -9.229  -2.925 -11.215
 2001   1HB   GLU 114          2HB       GLU 114 -11.690  -3.255 -12.825
 2002   2HB   GLU 114          3HB       GLU 114 -10.263  -2.729 -13.707
 2003   1HG   GLU 114          2HG       GLU 114 -10.365  -5.165 -11.945
 2004   2HG   GLU 114          3HG       GLU 114 -10.613  -5.183 -13.689
 2005    H    GLY 115           H        GLY 115  -8.062  -1.564 -12.740
 2006   1HA   GLY 115          1HA       GLY 115  -7.651   0.474 -13.843
 2007   2HA   GLY 115          2HA       GLY 115  -9.148   1.114 -13.174
 2008    H    GLY 116           H        GLY 116  -9.168   1.631 -10.862
 2009   1HA   GLY 116          1HA       GLY 116  -7.436   1.662  -8.929
 2010   2HA   GLY 116          2HA       GLY 116  -6.551   2.693 -10.046
 2011    H    MET 117           H        MET 117  -6.781   4.117  -8.077
 2012    HA   MET 117           HA       MET 117  -9.282   5.275  -7.416
 2013   1HB   MET 117          2HB       MET 117  -7.458   5.429  -5.853
 2014   2HB   MET 117          3HB       MET 117  -6.442   6.236  -7.037
 2015   1HG   MET 117          2HG       MET 117  -7.075   8.023  -5.789
 2016   2HG   MET 117          3HG       MET 117  -8.372   8.022  -6.983
 2017   1HE   MET 117          1HE       MET 117  -7.244   7.300  -3.406
 2018   2HE   MET 117          2HE       MET 117  -7.952   8.912  -3.526
 2019   3HE   MET 117          3HE       MET 117  -8.725   7.682  -2.524
 2020    H    ASP 118           H        ASP 118  -6.901   5.905  -9.859
 2021    HA   ASP 118           HA       ASP 118  -7.635   8.493 -10.603
 2022   1HB   ASP 118          2HB       ASP 118  -6.011   8.245 -12.135
 2023   2HB   ASP 118          3HB       ASP 118  -5.736   6.664 -11.418
 2024    H    LYS 119           H        LYS 119  -9.069   5.366 -11.372
 2025    HA   LYS 119           HA       LYS 119 -10.675   6.266 -13.516
 2026   1HB   LYS 119          2HB       LYS 119 -10.239   3.827 -12.042
 2027   2HB   LYS 119          3HB       LYS 119 -11.960   4.092 -12.291
 2028   1HG   LYS 119          2HG       LYS 119 -11.359   2.875 -14.155
 2029   2HG   LYS 119          3HG       LYS 119 -11.304   4.537 -14.747
 2030   1HD   LYS 119          2HD       LYS 119  -8.765   4.120 -13.740
 2031   2HD   LYS 119          3HD       LYS 119  -9.173   2.574 -14.491
 2032   1HE   LYS 119          2HE       LYS 119  -8.515   3.522 -16.408
 2033   2HE   LYS 119          3HE       LYS 119 -10.050   4.388 -16.350
 2034   1HZ   LYS 119          HZ1       LYS 119  -7.976   5.632 -14.789
 2035   2HZ   LYS 119          HZ2       LYS 119  -7.606   5.539 -16.439
 2036   3HZ   LYS 119          HZ3       LYS 119  -9.029   6.310 -15.942
 2037    H    TRP 120           H        TRP 120 -11.104   6.217 -10.026
 2038    HA   TRP 120           HA       TRP 120 -13.888   6.599  -9.937
 2039   1HB   TRP 120          HB2       TRP 120 -12.162   6.138  -8.017
 2040   2HB   TRP 120          HB3       TRP 120 -12.060   7.893  -7.934
 2041    HD1  TRP 120           HD1      TRP 120 -14.051   9.174  -6.822
 2042    HE1  TRP 120           HE1      TRP 120 -16.149   8.442  -5.530
 2043    HE3  TRP 120           HE3      TRP 120 -13.945   4.174  -7.880
 2044    HZ2  TRP 120           HZ2      TRP 120 -17.556   6.061  -5.009
 2045    HZ3  TRP 120           HZ3      TRP 120 -15.706   2.736  -6.931
 2046    HH2  TRP 120           HH2      TRP 120 -17.471   3.664  -5.524
 2047    H    LEU 121           H        LEU 121 -11.253   9.025  -9.755
 2048    HA   LEU 121           HA       LEU 121 -12.976  11.249  -9.925
 2049   1HB   LEU 121          2HB       LEU 121 -10.078  10.734 -10.019
 2050   2HB   LEU 121          3HB       LEU 121 -10.596  12.170 -10.879
 2051    HG   LEU 121           HG       LEU 121 -10.996  11.582  -7.941
 2052   1HD1  LEU 121          1HD1      LEU 121  -8.760  12.444  -9.045
 2053   2HD1  LEU 121          2HD1      LEU 121  -9.621  13.984  -9.017
 2054   3HD1  LEU 121          3HD1      LEU 121  -9.352  13.096  -7.517
 2055   1HD2  LEU 121          1HD2      LEU 121 -12.870  12.830  -9.285
 2056   2HD2  LEU 121          2HD2      LEU 121 -12.320  13.451  -7.728
 2057   3HD2  LEU 121          3HD2      LEU 121 -11.730  14.173  -9.223
 2058    H    GLU 122           H        GLU 122 -11.190   9.385 -12.344
 2059    HA   GLU 122           HA       GLU 122 -11.565  11.123 -14.510
 2060   1HB   GLU 122          2HB       GLU 122 -10.402   8.591 -14.068
 2061   2HB   GLU 122          3HB       GLU 122 -11.530   8.396 -15.402
 2062   1HG   GLU 122          2HG       GLU 122 -10.428  10.435 -16.433
 2063   2HG   GLU 122          3HG       GLU 122  -9.169  10.234 -15.214
 2064    H    GLU 123           H        GLU 123 -13.518   8.378 -13.414
 2065    HA   GLU 123           HA       GLU 123 -15.358   8.571 -15.597
 2066   1HB   GLU 123          2HB       GLU 123 -14.762   6.596 -13.864
 2067   2HB   GLU 123          3HB       GLU 123 -16.219   7.224 -13.104
 2068   1HG   GLU 123          2HG       GLU 123 -16.806   5.425 -14.570
 2069   2HG   GLU 123          3HG       GLU 123 -17.417   6.938 -15.239
 2070    H    GLY 124           H        GLY 124 -14.887  10.552 -13.018
 2071   1HA   GLY 124          1HA       GLY 124 -16.121  12.355 -12.281
 2072   2HA   GLY 124          2HA       GLY 124 -17.381  11.898 -13.420
 2073    H    LEU 125           H        LEU 125 -16.100   9.703 -11.038
 2074    HA   LEU 125           HA       LEU 125 -18.717   9.295  -9.934
 2075   1HB   LEU 125          2HB       LEU 125 -16.005   8.196  -9.183
 2076   2HB   LEU 125          3HB       LEU 125 -17.505   7.704  -8.422
 2077    HG   LEU 125           HG       LEU 125 -16.700   7.264 -11.295
 2078   1HD1  LEU 125          1HD1      LEU 125 -16.523   5.711  -8.875
 2079   2HD1  LEU 125          2HD1      LEU 125 -17.489   4.890 -10.102
 2080   3HD1  LEU 125          3HD1      LEU 125 -15.841   5.398 -10.470
 2081   1HD2  LEU 125          1HD2      LEU 125 -19.297   7.641 -10.296
 2082   2HD2  LEU 125          2HD2      LEU 125 -18.830   7.003 -11.874
 2083   3HD2  LEU 125          3HD2      LEU 125 -19.102   5.902 -10.523
 2084    HA   PRO 126           HA       PRO 126 -18.755  12.129  -6.612
 2085   1HB   PRO 126          2HB       PRO 126 -19.536  10.575  -4.484
 2086   2HB   PRO 126          3HB       PRO 126 -20.634  11.176  -5.731
 2087   1HG   PRO 126          2HG       PRO 126 -19.294   8.503  -5.516
 2088   2HG   PRO 126          3HG       PRO 126 -20.986   8.877  -5.921
 2089   1HD   PRO 126          2HD       PRO 126 -19.248   8.271  -7.839
 2090   2HD   PRO 126          3HD       PRO 126 -20.433   9.575  -8.082
 2091    H    SER 127           H        SER 127 -16.965  12.990  -5.734
 2092    HA   SER 127           HA       SER 127 -15.430  11.370  -3.859
 2093   1HB   SER 127          2HB       SER 127 -13.536  12.975  -5.165
 2094   2HB   SER 127          3HB       SER 127 -13.709  11.224  -5.307
 2095    HG   SER 127           HG       SER 127 -15.276  11.689  -7.011
 2096    H    LEU 128           H        LEU 128 -14.549  12.590  -2.164
 2097    HA   LEU 128           HA       LEU 128 -15.589  15.320  -1.959
 2098   1HB   LEU 128          2HB       LEU 128 -14.435  13.398   0.056
 2099   2HB   LEU 128          3HB       LEU 128 -14.712  15.088   0.428
 2100    HG   LEU 128           HG       LEU 128 -16.961  13.399  -0.602
 2101   1HD1  LEU 128          1HD1      LEU 128 -15.562  13.033   1.908
 2102   2HD1  LEU 128          2HD1      LEU 128 -17.258  13.456   2.145
 2103   3HD1  LEU 128          3HD1      LEU 128 -16.827  12.055   1.162
 2104   1HD2  LEU 128          1HD2      LEU 128 -16.630  15.966   0.871
 2105   2HD2  LEU 128          2HD2      LEU 128 -17.662  15.581  -0.506
 2106   3HD2  LEU 128          3HD2      LEU 128 -18.101  15.022   1.108
 2107    H    ASP 129           H        ASP 129 -14.252  16.632  -3.033
 2108    HA   ASP 129           HA       ASP 129 -11.389  16.531  -2.358
 2109   1HB   ASP 129          2HB       ASP 129 -11.056  16.080  -4.546
 2110   2HB   ASP 129          3HB       ASP 129 -12.735  16.415  -4.942
 2111    H    ARG 130           H        ARG 130 -10.431  18.442  -1.806
 2112    HA   ARG 130           HA       ARG 130 -12.180  20.778  -1.662
 2113   1HB   ARG 130          2HB       ARG 130 -10.283  19.755   0.122
 2114   2HB   ARG 130          3HB       ARG 130  -9.498  21.154  -0.602
 2115   1HG   ARG 130          2HG       ARG 130 -12.005  22.105  -0.048
 2116   2HG   ARG 130          3HG       ARG 130 -11.696  21.017   1.306
 2117   1HD   ARG 130          2HD       ARG 130  -9.375  22.622   0.695
 2118   2HD   ARG 130          3HD       ARG 130 -10.788  23.632   1.009
 2119    HE   ARG 130           HE       ARG 130 -10.188  21.497   2.911
 2120   1HH1  ARG 130          1HH1      ARG 130 -10.192  24.921   2.171
 2121   2HH1  ARG 130          2HH1      ARG 130  -9.959  25.403   3.823
 2122   1HH2  ARG 130          1HH2      ARG 130  -9.923  22.120   5.077
 2123   2HH2  ARG 130          2HH2      ARG 130  -9.835  23.812   5.484
 2124    H    SER 131           H        SER 131 -12.135  20.946  -3.916
 2125    HA   SER 131           HA       SER 131 -10.286  20.867  -5.745
 2126   1HB   SER 131          2HB       SER 131 -12.072  23.281  -5.743
 2127   2HB   SER 131          3HB       SER 131 -11.590  22.259  -7.103
 2128    HG   SER 131           HG       SER 131 -12.742  20.531  -5.789
 2129    H    HIS 132           H        HIS 132  -8.352  21.543  -6.059
 2130    HA   HIS 132           HA       HIS 132  -7.130  23.468  -4.396
 2131   1HB   HIS 132          2HB       HIS 132  -6.227  21.797  -6.713
 2132   2HB   HIS 132          3HB       HIS 132  -5.175  23.067  -6.095
 2133    HD1  HIS 132           HD1      HIS 132  -4.703  19.901  -5.947
 2134    HD2  HIS 132           HD2      HIS 132  -5.950  22.390  -2.857
 2135    HE1  HIS 132           HE1      HIS 132  -4.063  18.719  -3.825
 2136    HE2  HIS 132           HE2      HIS 132  -4.597  20.358  -1.992
 2137    H    HIS 133           H        HIS 133  -8.985  25.018  -5.392
 2138    HA   HIS 133           HA       HIS 133  -7.930  26.507  -7.666
 2139   1HB   HIS 133          2HB       HIS 133 -10.493  26.003  -6.894
 2140   2HB   HIS 133          3HB       HIS 133 -10.247  27.607  -6.207
 2141    HD1  HIS 133           HD1      HIS 133 -10.849  29.445  -7.749
 2142    HD2  HIS 133           HD2      HIS 133  -9.648  26.026  -9.796
 2143    HE1  HIS 133           HE1      HIS 133 -11.100  29.989 -10.194
 2144    HE2  HIS 133           HE2      HIS 133 -10.502  27.859 -11.408
 2145    H    HIS 134           H        HIS 134  -6.184  26.517  -5.575
 2146    HA   HIS 134           HA       HIS 134  -6.373  29.308  -4.664
 2147   1HB   HIS 134          2HB       HIS 134  -6.596  27.399  -2.872
 2148   2HB   HIS 134          3HB       HIS 134  -4.848  27.284  -3.060
 2149    HD1  HIS 134           HD1      HIS 134  -7.490  29.864  -2.181
 2150    HD2  HIS 134           HD2      HIS 134  -3.439  29.110  -1.609
 2151    HE1  HIS 134           HE1      HIS 134  -6.682  31.650  -0.607
 2152    HE2  HIS 134           HE2      HIS 134  -4.189  31.321  -0.481
 2153    H    HIS 135           H        HIS 135  -5.116  27.910  -7.002
 2154    HA   HIS 135           HA       HIS 135  -2.342  28.747  -6.482
 2155   1HB   HIS 135          2HB       HIS 135  -3.425  26.442  -7.850
 2156   2HB   HIS 135          3HB       HIS 135  -2.379  27.374  -8.918
 2157    HD1  HIS 135           HD1      HIS 135   0.129  27.440  -8.373
 2158    HD2  HIS 135           HD2      HIS 135  -2.140  25.285  -5.628
 2159    HE1  HIS 135           HE1      HIS 135   1.785  26.210  -6.934
 2160    HE2  HIS 135           HE2      HIS 135   0.394  25.135  -5.130
 2161    H    HIS 136           H        HIS 136  -2.379  30.844  -6.949
 2162    HA   HIS 136           HA       HIS 136  -3.789  31.895  -9.228
 2163   1HB   HIS 136          2HB       HIS 136  -3.144  33.020  -6.912
 2164   2HB   HIS 136          3HB       HIS 136  -1.690  33.467  -7.798
 2165    HD1  HIS 136           HD1      HIS 136  -1.845  35.492  -9.244
 2166    HD2  HIS 136           HD2      HIS 136  -5.584  34.025  -8.171
 2167    HE1  HIS 136           HE1      HIS 136  -3.503  37.194 -10.071
 2168    HE2  HIS 136           HE2      HIS 136  -5.766  36.192  -9.576
 2169    H    HIS 137           H        HIS 137  -0.668  30.652  -8.565
 2170    HA   HIS 137           HA       HIS 137   0.074  31.081 -11.348
 2171   1HB   HIS 137          2HB       HIS 137   1.160  32.745  -9.490
 2172   2HB   HIS 137          3HB       HIS 137   2.318  31.422  -9.451
 2173    HD1  HIS 137           HD1      HIS 137   0.597  33.421 -12.220
 2174    HD2  HIS 137           HD2      HIS 137   4.322  31.895 -11.170
 2175    HE1  HIS 137           HE1      HIS 137   2.156  34.109 -14.063
 2176    HE2  HIS 137           HE2      HIS 137   4.437  33.381 -13.287
  Start of MODEL    7
    1   1H    ALA   1           H1       ALA   1 -23.878  -9.250  13.618
    2   2H    ALA   1           H2       ALA   1 -25.199  -8.744  12.685
    3   3H    ALA   1           H3       ALA   1 -23.955  -9.653  11.971
    4    HA   ALA   1           HA       ALA   1 -22.854  -7.858  11.448
    5   1HB   ALA   1          1HB       ALA   1 -25.432  -6.975  11.913
    6   2HB   ALA   1          2HB       ALA   1 -24.423  -5.814  12.776
    7   3HB   ALA   1          3HB       ALA   1 -24.161  -6.100  11.056
    8    H    ASP   2           H        ASP   2 -22.027  -9.143  13.854
    9    HA   ASP   2           HA       ASP   2 -20.515  -6.945  15.011
   10   1HB   ASP   2          2HB       ASP   2 -21.398  -6.916  17.094
   11   2HB   ASP   2          3HB       ASP   2 -22.824  -7.556  16.288
   12    H    MET   3           H        MET   3 -20.477  -9.886  13.707
   13    HA   MET   3           HA       MET   3 -18.739 -11.281  15.505
   14   1HB   MET   3          2HB       MET   3 -18.855 -13.040  14.054
   15   2HB   MET   3          3HB       MET   3 -20.310 -12.178  13.585
   16   1HG   MET   3          2HG       MET   3 -19.557 -11.820  11.525
   17   2HG   MET   3          3HG       MET   3 -17.967 -11.318  12.097
   18   1HE   MET   3          1HE       MET   3 -20.178 -14.051  10.665
   19   2HE   MET   3          2HE       MET   3 -19.286 -15.551  10.917
   20   3HE   MET   3          3HE       MET   3 -20.050 -14.740  12.283
   21    H    GLY   4           H        GLY   4 -18.148  -8.560  14.039
   22   1HA   GLY   4          1HA       GLY   4 -15.875  -8.679  12.491
   23   2HA   GLY   4          2HA       GLY   4 -16.219  -7.369  13.603
   24    H    GLU   5           H        GLU   5 -16.118  -9.318  15.856
   25    HA   GLU   5           HA       GLU   5 -13.342  -9.062  16.511
   26   1HB   GLU   5          2HB       GLU   5 -14.108 -10.614  18.477
   27   2HB   GLU   5          3HB       GLU   5 -14.645  -8.942  18.410
   28   1HG   GLU   5          2HG       GLU   5 -16.787  -9.518  18.198
   29   2HG   GLU   5          3HG       GLU   5 -16.426 -10.774  17.014
   30    H    LYS   6           H        LYS   6 -15.367 -11.604  15.267
   31    HA   LYS   6           HA       LYS   6 -13.732 -13.798  15.862
   32   1HB   LYS   6          2HB       LYS   6 -15.975 -13.299  13.972
   33   2HB   LYS   6          3HB       LYS   6 -15.004 -14.744  13.728
   34   1HG   LYS   6          2HG       LYS   6 -15.796 -14.381  16.499
   35   2HG   LYS   6          3HG       LYS   6 -17.170 -14.510  15.397
   36   1HD   LYS   6          2HD       LYS   6 -16.248 -16.590  14.494
   37   2HD   LYS   6          3HD       LYS   6 -14.869 -16.457  15.588
   38   1HE   LYS   6          2HE       LYS   6 -16.131 -17.802  16.889
   39   2HE   LYS   6          3HE       LYS   6 -16.877 -16.276  17.361
   40   1HZ   LYS   6          HZ1       LYS   6 -17.885 -18.052  15.198
   41   2HZ   LYS   6          HZ2       LYS   6 -18.500 -18.010  16.780
   42   3HZ   LYS   6          HZ3       LYS   6 -18.634 -16.643  15.781
   43    H    PHE   7           H        PHE   7 -14.066 -12.131  12.693
   44    HA   PHE   7           HA       PHE   7 -11.884 -13.648  11.647
   45   1HB   PHE   7          2HB       PHE   7 -12.085 -11.962   9.686
   46   2HB   PHE   7          3HB       PHE   7 -13.366 -13.131   9.958
   47    HD1  PHE   7           HD1      PHE   7 -12.444  -9.642  10.890
   48    HD2  PHE   7           HD2      PHE   7 -15.533 -12.393   9.903
   49    HE1  PHE   7           HE1      PHE   7 -14.074  -7.804  10.891
   50    HE2  PHE   7           HE2      PHE   7 -17.171 -10.559   9.909
   51    HZ   PHE   7           HZ       PHE   7 -16.440  -8.256  10.400
   52    H    ASP   8           H        ASP   8 -12.117 -10.694  13.327
   53    HA   ASP   8           HA       ASP   8  -9.961  -9.218  12.424
   54   1HB   ASP   8          2HB       ASP   8 -11.156  -8.110  14.077
   55   2HB   ASP   8          3HB       ASP   8 -11.222  -9.524  15.123
   56    H    ALA   9           H        ALA   9  -9.913 -11.760  14.909
   57    HA   ALA   9           HA       ALA   9  -7.175 -11.763  15.445
   58   1HB   ALA   9          1HB       ALA   9  -8.837 -12.927  16.816
   59   2HB   ALA   9          2HB       ALA   9  -9.074 -14.101  15.522
   60   3HB   ALA   9          3HB       ALA   9  -7.516 -13.994  16.340
   61    H    THR  10           H        THR  10  -9.022 -13.576  13.006
   62    HA   THR  10           HA       THR  10  -6.830 -15.076  12.047
   63    HB   THR  10           HB       THR  10  -8.910 -14.479  10.072
   64    HG1  THR  10           HG1      THR  10 -10.116 -16.051  11.861
   65   1HG2  THR  10          1HG2      THR  10  -7.163 -16.538  10.655
   66   2HG2  THR  10          2HG2      THR  10  -8.726 -17.176  11.167
   67   3HG2  THR  10          3HG2      THR  10  -8.503 -16.614   9.510
   68    H    PHE  11           H        PHE  11  -8.306 -12.032  10.929
   69    HA   PHE  11           HA       PHE  11  -6.729 -11.649   8.654
   70   1HB   PHE  11          2HB       PHE  11  -8.800 -10.323   9.696
   71   2HB   PHE  11          3HB       PHE  11  -7.514  -9.276  10.280
   72    HD1  PHE  11           HD1      PHE  11  -5.663  -8.858   8.287
   73    HD2  PHE  11           HD2      PHE  11  -9.829  -9.581   7.794
   74    HE1  PHE  11           HE1      PHE  11  -5.604  -7.693   6.122
   75    HE2  PHE  11           HE2      PHE  11  -9.774  -8.422   5.626
   76    HZ   PHE  11           HZ       PHE  11  -7.662  -7.470   4.791
   77    H    LYS  12           H        LYS  12  -6.249 -10.550  11.983
   78    HA   LYS  12           HA       LYS  12  -3.777  -9.245  11.552
   79   1HB   LYS  12          2HB       LYS  12  -5.413  -9.110  13.559
   80   2HB   LYS  12          3HB       LYS  12  -4.546 -10.516  14.161
   81   1HG   LYS  12          2HG       LYS  12  -3.272  -8.959  15.162
   82   2HG   LYS  12          3HG       LYS  12  -2.473  -8.901  13.589
   83   1HD   LYS  12          2HD       LYS  12  -3.726  -6.988  12.934
   84   2HD   LYS  12          3HD       LYS  12  -4.796  -7.133  14.328
   85   1HE   LYS  12          2HE       LYS  12  -3.459  -5.670  15.347
   86   2HE   LYS  12          3HE       LYS  12  -2.276  -6.973  15.452
   87   1HZ   LYS  12          HZ1       LYS  12  -2.237  -5.660  12.902
   88   2HZ   LYS  12          HZ2       LYS  12  -1.930  -4.585  14.183
   89   3HZ   LYS  12          HZ3       LYS  12  -0.963  -5.962  13.986
   90    H    ALA  13           H        ALA  13  -4.638 -12.570  11.988
   91    HA   ALA  13           HA       ALA  13  -2.040 -13.510  12.759
   92   1HB   ALA  13          1HB       ALA  13  -4.068 -14.755  13.320
   93   2HB   ALA  13          2HB       ALA  13  -4.379 -15.022  11.603
   94   3HB   ALA  13          3HB       ALA  13  -2.955 -15.736  12.365
   95    H    GLN  14           H        GLN  14  -3.846 -13.312   9.744
   96    HA   GLN  14           HA       GLN  14  -1.867 -14.641   8.164
   97   1HB   GLN  14          2HB       GLN  14  -4.413 -13.244   7.672
   98   2HB   GLN  14          3HB       GLN  14  -3.257 -13.170   6.347
   99   1HG   GLN  14          2HG       GLN  14  -3.187 -15.813   7.119
  100   2HG   GLN  14          3HG       GLN  14  -4.888 -15.376   7.278
  101   1HE2  GLN  14          1HE2      GLN  14  -6.100 -15.275   5.510
  102   2HE2  GLN  14          2HE2      GLN  14  -5.513 -15.402   3.887
  103    H    VAL  15           H        VAL  15  -2.793 -11.243   8.568
  104    HA   VAL  15           HA       VAL  15  -0.857 -10.193   6.836
  105    HB   VAL  15           HB       VAL  15  -2.452  -9.014   9.089
  106   1HG1  VAL  15          1HG1      VAL  15  -0.182  -7.747   7.618
  107   2HG1  VAL  15          2HG1      VAL  15  -1.570  -6.771   8.104
  108   3HG1  VAL  15          3HG1      VAL  15  -0.623  -7.627   9.323
  109   1HG2  VAL  15          1HG2      VAL  15  -2.412  -8.606   6.099
  110   2HG2  VAL  15          2HG2      VAL  15  -3.630  -9.475   7.033
  111   3HG2  VAL  15          3HG2      VAL  15  -3.451  -7.732   7.222
  112    H    LYS  16           H        LYS  16  -0.667 -11.023  10.256
  113    HA   LYS  16           HA       LYS  16   1.838  -9.759  10.738
  114   1HB   LYS  16          2HB       LYS  16   0.016 -11.517  12.192
  115   2HB   LYS  16          3HB       LYS  16   1.707 -11.849  12.536
  116   1HG   LYS  16          2HG       LYS  16   0.662  -9.053  12.637
  117   2HG   LYS  16          3HG       LYS  16   0.431 -10.156  13.995
  118   1HD   LYS  16          2HD       LYS  16   3.047 -10.544  13.540
  119   2HD   LYS  16          3HD       LYS  16   2.895  -8.875  12.984
  120   1HE   LYS  16          2HE       LYS  16   3.173  -8.343  15.138
  121   2HE   LYS  16          3HE       LYS  16   1.484  -8.814  15.310
  122   1HZ   LYS  16          HZ1       LYS  16   3.252 -11.058  15.473
  123   2HZ   LYS  16          HZ2       LYS  16   3.607  -9.890  16.650
  124   3HZ   LYS  16          HZ3       LYS  16   2.047 -10.551  16.556
  125    H    ALA  17           H        ALA  17   0.881 -12.934   9.589
  126    HA   ALA  17           HA       ALA  17   3.312 -14.277   9.888
  127   1HB   ALA  17          1HB       ALA  17   0.946 -14.637   8.107
  128   2HB   ALA  17          2HB       ALA  17   2.395 -15.606   7.836
  129   3HB   ALA  17          3HB       ALA  17   1.562 -15.681   9.389
  130    H    ALA  18           H        ALA  18   2.326 -11.910   7.560
  131    HA   ALA  18           HA       ALA  18   4.045 -12.493   5.446
  132   1HB   ALA  18          1HB       ALA  18   2.381 -10.282   6.258
  133   2HB   ALA  18          2HB       ALA  18   3.860  -9.735   5.467
  134   3HB   ALA  18          3HB       ALA  18   2.784 -10.863   4.641
  135    H    LYS  19           H        LYS  19   4.680 -10.706   8.441
  136    HA   LYS  19           HA       LYS  19   7.233  -9.739   7.603
  137   1HB   LYS  19          2HB       LYS  19   7.349  -8.687   9.653
  138   2HB   LYS  19          3HB       LYS  19   5.613  -8.805   9.416
  139   1HG   LYS  19          2HG       LYS  19   5.344 -10.325  11.090
  140   2HG   LYS  19          3HG       LYS  19   6.963 -10.999  10.891
  141   1HD   LYS  19          2HD       LYS  19   7.163  -8.255  11.690
  142   2HD   LYS  19          3HD       LYS  19   6.090  -9.114  12.797
  143   1HE   LYS  19          2HE       LYS  19   7.821 -10.845  13.084
  144   2HE   LYS  19          3HE       LYS  19   8.894  -9.921  12.037
  145   1HZ   LYS  19          HZ1       LYS  19   7.781  -8.940  14.612
  146   2HZ   LYS  19          HZ2       LYS  19   9.342  -9.562  14.401
  147   3HZ   LYS  19          HZ3       LYS  19   8.889  -8.119  13.626
  148    H    ALA  20           H        ALA  20   6.086 -12.701   8.793
  149    HA   ALA  20           HA       ALA  20   8.458 -13.547  10.163
  150   1HB   ALA  20          1HB       ALA  20   5.855 -14.726   9.478
  151   2HB   ALA  20          2HB       ALA  20   7.192 -15.867   9.608
  152   3HB   ALA  20          3HB       ALA  20   6.790 -14.821  10.970
  153    H    ASP  21           H        ASP  21   7.393 -13.575   6.866
  154    HA   ASP  21           HA       ASP  21   9.238 -15.648   6.065
  155   1HB   ASP  21          2HB       ASP  21   6.881 -15.078   5.080
  156   2HB   ASP  21          3HB       ASP  21   7.771 -13.897   4.124
  157    H    MET  22           H        MET  22  10.123 -12.878   7.095
  158    HA   MET  22           HA       MET  22  12.211 -12.579   5.074
  159   1HB   MET  22          2HB       MET  22  11.986 -10.198   4.904
  160   2HB   MET  22          3HB       MET  22  10.428 -10.922   4.534
  161   1HG   MET  22          2HG       MET  22  10.339 -10.472   7.268
  162   2HG   MET  22          3HG       MET  22  11.162  -9.057   6.619
  163   1HE   MET  22          1HE       MET  22   9.026 -11.028   4.378
  164   2HE   MET  22          2HE       MET  22   7.548 -10.097   4.145
  165   3HE   MET  22          3HE       MET  22   9.078  -9.487   3.522
  166    H    VAL  23           H        VAL  23  13.985 -11.156   5.826
  167    HA   VAL  23           HA       VAL  23  14.586 -11.642   8.629
  168    HB   VAL  23           HB       VAL  23  16.281 -10.248   6.543
  169   1HG1  VAL  23          1HG1      VAL  23  16.729  -9.919   9.053
  170   2HG1  VAL  23          2HG1      VAL  23  17.273 -11.598   9.027
  171   3HG1  VAL  23          3HG1      VAL  23  18.075 -10.396   8.018
  172   1HG2  VAL  23          1HG2      VAL  23  15.619 -13.019   6.822
  173   2HG2  VAL  23          2HG2      VAL  23  16.644 -12.233   5.621
  174   3HG2  VAL  23          3HG2      VAL  23  17.336 -12.781   7.147
  175    H    MET  24           H        MET  24  13.565 -10.267   9.943
  176    HA   MET  24           HA       MET  24  12.970  -7.576   9.132
  177   1HB   MET  24          2HB       MET  24  12.422  -9.126  11.657
  178   2HB   MET  24          3HB       MET  24  11.985  -7.431  11.473
  179   1HG   MET  24          2HG       MET  24  11.058  -8.960   9.223
  180   2HG   MET  24          3HG       MET  24  10.490  -9.669  10.733
  181   1HE   MET  24          1HE       MET  24  11.031  -6.567   8.750
  182   2HE   MET  24          2HE       MET  24   9.406  -6.818   8.109
  183   3HE   MET  24          3HE       MET  24   9.730  -5.455   9.179
  184    H    LEU  25           H        LEU  25  14.371  -6.014   9.236
  185    HA   LEU  25           HA       LEU  25  16.278  -5.920  11.479
  186   1HB   LEU  25          2HB       LEU  25  16.672  -5.710   8.577
  187   2HB   LEU  25          3HB       LEU  25  17.442  -4.433   9.495
  188    HG   LEU  25           HG       LEU  25  18.021  -7.366   9.490
  189   1HD1  LEU  25          1HD1      LEU  25  19.327  -4.884   8.749
  190   2HD1  LEU  25          2HD1      LEU  25  20.339  -5.898   9.779
  191   3HD1  LEU  25          3HD1      LEU  25  19.691  -6.541   8.270
  192   1HD2  LEU  25          1HD2      LEU  25  17.884  -5.746  11.854
  193   2HD2  LEU  25          2HD2      LEU  25  18.311  -7.450  11.690
  194   3HD2  LEU  25          3HD2      LEU  25  19.556  -6.208  11.532
  195    H    SER  26           H        SER  26  16.701  -3.909  12.356
  196    HA   SER  26           HA       SER  26  14.570  -2.006  12.196
  197   1HB   SER  26          2HB       SER  26  16.894  -0.988  13.560
  198   2HB   SER  26          3HB       SER  26  15.344  -1.485  14.241
  199    HG   SER  26           HG       SER  26  17.748  -2.823  14.169
  200    HA   PRO  27           HA       PRO  27  15.834   0.613   8.869
  201   1HB   PRO  27          2HB       PRO  27  15.507   3.068  10.243
  202   2HB   PRO  27          3HB       PRO  27  14.322   2.253   9.219
  203   1HG   PRO  27          2HG       PRO  27  14.621   2.212  12.179
  204   2HG   PRO  27          3HG       PRO  27  13.146   2.164  11.194
  205   1HD   PRO  27          2HD       PRO  27  14.026  -0.043  12.364
  206   2HD   PRO  27          3HD       PRO  27  13.405  -0.111  10.709
  207    H    LYS  28           H        LYS  28  17.262   1.194  12.075
  208    HA   LYS  28           HA       LYS  28  19.462   2.722  11.051
  209   1HB   LYS  28          2HB       LYS  28  20.350   1.868  13.451
  210   2HB   LYS  28          3HB       LYS  28  19.309   3.264  13.238
  211   1HG   LYS  28          2HG       LYS  28  17.352   1.879  13.730
  212   2HG   LYS  28          3HG       LYS  28  18.408   0.482  13.962
  213   1HD   LYS  28          2HD       LYS  28  19.499   1.568  15.826
  214   2HD   LYS  28          3HD       LYS  28  18.577   3.045  15.547
  215   1HE   LYS  28          2HE       LYS  28  16.523   1.429  15.847
  216   2HE   LYS  28          3HE       LYS  28  17.701   0.443  16.712
  217   1HZ   LYS  28          HZ1       LYS  28  18.207   2.507  18.036
  218   2HZ   LYS  28          HZ2       LYS  28  16.822   3.205  17.347
  219   3HZ   LYS  28          HZ3       LYS  28  16.680   1.813  18.311
  220    H    ASP  29           H        ASP  29  18.882  -0.619  11.988
  221    HA   ASP  29           HA       ASP  29  21.489  -1.655  11.572
  222   1HB   ASP  29          2HB       ASP  29  18.730  -2.787  11.742
  223   2HB   ASP  29          3HB       ASP  29  19.975  -3.793  11.004
  224    H    ALA  30           H        ALA  30  18.726  -1.089   9.553
  225    HA   ALA  30           HA       ALA  30  19.704  -2.450   7.258
  226   1HB   ALA  30          1HB       ALA  30  17.308  -2.032   7.667
  227   2HB   ALA  30          2HB       ALA  30  17.585  -0.313   7.379
  228   3HB   ALA  30          3HB       ALA  30  17.843  -1.479   6.079
  229    H    TYR  31           H        TYR  31  19.580   0.985   8.195
  230    HA   TYR  31           HA       TYR  31  20.819   1.924   5.829
  231   1HB   TYR  31          HB2       TYR  31  19.529   3.441   7.201
  232   2HB   TYR  31          HB3       TYR  31  20.608   3.189   8.565
  233    HD1  TYR  31           HD1      TYR  31  20.535   4.466   5.080
  234    HD2  TYR  31           HD2      TYR  31  22.450   4.609   8.873
  235    HE1  TYR  31           HE1      TYR  31  21.908   6.346   4.305
  236    HE2  TYR  31           HE2      TYR  31  23.837   6.488   8.109
  237    HH   TYR  31           HH       TYR  31  23.231   8.113   5.092
  238    H    LYS  32           H        LYS  32  22.065   0.688   8.855
  239    HA   LYS  32           HA       LYS  32  24.688   1.640   8.709
  240   1HB   LYS  32          2HB       LYS  32  23.467   0.320  10.589
  241   2HB   LYS  32          3HB       LYS  32  24.075  -1.104   9.754
  242   1HG   LYS  32          2HG       LYS  32  26.143  -0.810  10.522
  243   2HG   LYS  32          3HG       LYS  32  26.118   0.925  10.205
  244   1HD   LYS  32          2HD       LYS  32  24.347   0.287  12.376
  245   2HD   LYS  32          3HD       LYS  32  25.954  -0.371  12.690
  246   1HE   LYS  32          2HE       LYS  32  26.849   1.661  12.998
  247   2HE   LYS  32          3HE       LYS  32  25.984   2.351  11.625
  248   1HZ   LYS  32          HZ1       LYS  32  24.587   1.746  14.156
  249   2HZ   LYS  32          HZ2       LYS  32  25.428   3.206  13.955
  250   3HZ   LYS  32          HZ3       LYS  32  24.138   2.826  12.925
  251    H    LEU  33           H        LEU  33  23.390  -1.477   7.541
  252    HA   LEU  33           HA       LEU  33  25.832  -2.173   6.233
  253   1HB   LEU  33          2HB       LEU  33  24.215  -3.824   5.005
  254   2HB   LEU  33          3HB       LEU  33  24.669  -4.079   6.676
  255    HG   LEU  33           HG       LEU  33  22.380  -2.600   6.949
  256   1HD1  LEU  33          1HD1      LEU  33  22.301  -3.176   4.311
  257   2HD1  LEU  33          2HD1      LEU  33  21.483  -4.591   4.974
  258   3HD1  LEU  33          3HD1      LEU  33  20.866  -2.972   5.321
  259   1HD2  LEU  33          1HD2      LEU  33  23.322  -5.195   7.504
  260   2HD2  LEU  33          2HD2      LEU  33  21.945  -4.363   8.227
  261   3HD2  LEU  33          3HD2      LEU  33  21.713  -5.379   6.803
  262    H    LEU  34           H        LEU  34  23.049  -0.318   5.371
  263    HA   LEU  34           HA       LEU  34  23.183  -0.438   2.572
  264   1HB   LEU  34          2HB       LEU  34  22.044   1.428   4.573
  265   2HB   LEU  34          3HB       LEU  34  22.302   2.077   2.965
  266    HG   LEU  34           HG       LEU  34  20.747  -0.456   3.428
  267   1HD1  LEU  34          1HD1      LEU  34  19.724   2.378   3.351
  268   2HD1  LEU  34          2HD1      LEU  34  18.717   0.933   3.262
  269   3HD1  LEU  34          3HD1      LEU  34  19.651   1.268   4.719
  270   1HD2  LEU  34          1HD2      LEU  34  21.659   0.942   1.150
  271   2HD2  LEU  34          2HD2      LEU  34  20.622  -0.483   1.219
  272   3HD2  LEU  34          3HD2      LEU  34  19.908   1.130   1.226
  273    H    GLN  35           H        GLN  35  24.548   2.024   4.781
  274    HA   GLN  35           HA       GLN  35  25.926   3.322   2.654
  275   1HB   GLN  35          2HB       GLN  35  27.148   4.474   4.642
  276   2HB   GLN  35          3HB       GLN  35  25.445   4.799   4.365
  277   1HG   GLN  35          2HG       GLN  35  25.071   4.258   6.471
  278   2HG   GLN  35          3HG       GLN  35  25.497   2.595   6.069
  279   1HE2  GLN  35          1HE2      GLN  35  27.019   1.741   7.265
  280   2HE2  GLN  35          2HE2      GLN  35  28.270   2.598   8.110
  281    H    GLU  36           H        GLU  36  26.829   0.839   4.975
  282    HA   GLU  36           HA       GLU  36  29.629   1.085   4.510
  283   1HB   GLU  36          2HB       GLU  36  28.345   0.100   6.550
  284   2HB   GLU  36          3HB       GLU  36  28.314  -1.379   5.602
  285   1HG   GLU  36          2HG       GLU  36  30.796  -1.244   5.440
  286   2HG   GLU  36          3HG       GLU  36  30.738   0.113   6.565
  287    H    ASN  37           H        ASN  37  27.028  -0.717   3.072
  288    HA   ASN  37           HA       ASN  37  28.973  -2.035   1.289
  289   1HB   ASN  37          2HB       ASN  37  26.518  -3.114   2.633
  290   2HB   ASN  37          3HB       ASN  37  27.078  -3.815   1.121
  291   1HD2  ASN  37          1HD2      ASN  37  27.393  -3.776   4.457
  292   2HD2  ASN  37          2HD2      ASN  37  28.798  -4.773   4.595
  293    HA   PRO  38           HA       PRO  38  26.476   0.533  -1.511
  294   1HB   PRO  38          2HB       PRO  38  28.620  -0.196  -3.393
  295   2HB   PRO  38          3HB       PRO  38  28.065   1.402  -2.889
  296   1HG   PRO  38          2HG       PRO  38  30.427   0.421  -2.085
  297   2HG   PRO  38          3HG       PRO  38  29.429   1.434  -1.023
  298   1HD   PRO  38          2HD       PRO  38  29.761  -1.545  -1.035
  299   2HD   PRO  38          3HD       PRO  38  29.694  -0.424   0.343
  300    H    ASP  39           H        ASP  39  27.041  -2.711  -1.380
  301    HA   ASP  39           HA       ASP  39  25.886  -3.384  -3.967
  302   1HB   ASP  39          2HB       ASP  39  27.493  -4.757  -1.980
  303   2HB   ASP  39          3HB       ASP  39  26.063  -5.700  -2.384
  304    H    ILE  40           H        ILE  40  25.046  -2.979  -0.653
  305    HA   ILE  40           HA       ILE  40  22.505  -4.360  -0.939
  306    HB   ILE  40           HB       ILE  40  23.544  -2.801   1.433
  307   1HG1  ILE  40          2HG1      ILE  40  23.580  -5.792   0.959
  308   2HG1  ILE  40          3HG1      ILE  40  24.983  -4.742   0.800
  309   1HG2  ILE  40          1HG2      ILE  40  21.036  -4.145   0.833
  310   2HG2  ILE  40          2HG2      ILE  40  21.785  -4.733   2.318
  311   3HG2  ILE  40          3HG2      ILE  40  21.433  -3.015   2.128
  312   1HD1  ILE  40          1HD1      ILE  40  24.540  -4.097   3.230
  313   2HD1  ILE  40          2HD1      ILE  40  23.487  -5.510   3.272
  314   3HD1  ILE  40          3HD1      ILE  40  25.201  -5.699   2.906
  315    H    THR  41           H        THR  41  21.046  -3.315  -2.059
  316    HA   THR  41           HA       THR  41  20.854  -0.400  -1.924
  317    HB   THR  41           HB       THR  41  19.041  -2.044  -3.646
  318    HG1  THR  41           HG1      THR  41  21.703  -2.334  -3.653
  319   1HG2  THR  41          1HG2      THR  41  19.756   0.677  -3.422
  320   2HG2  THR  41          2HG2      THR  41  20.419   0.104  -4.953
  321   3HG2  THR  41          3HG2      THR  41  18.695  -0.067  -4.620
  322    H    LEU  42           H        LEU  42  18.938   0.696  -1.241
  323    HA   LEU  42           HA       LEU  42  17.052  -1.010   0.239
  324   1HB   LEU  42          2HB       LEU  42  18.005   0.656   1.694
  325   2HB   LEU  42          3HB       LEU  42  17.704   1.926   0.525
  326    HG   LEU  42           HG       LEU  42  15.186   1.148   0.908
  327   1HD1  LEU  42          1HD1      LEU  42  16.632  -0.273   2.909
  328   2HD1  LEU  42          2HD1      LEU  42  15.604   0.929   3.687
  329   3HD1  LEU  42          3HD1      LEU  42  14.897  -0.258   2.592
  330   1HD2  LEU  42          1HD2      LEU  42  16.448   3.379   1.389
  331   2HD2  LEU  42          2HD2      LEU  42  14.893   3.059   2.158
  332   3HD2  LEU  42          3HD2      LEU  42  16.391   2.828   3.065
  333    H    ILE  43           H        ILE  43  15.039  -1.176  -0.451
  334    HA   ILE  43           HA       ILE  43  14.159   0.677  -2.562
  335    HB   ILE  43           HB       ILE  43  13.374  -2.210  -2.131
  336   1HG1  ILE  43          2HG1      ILE  43  14.650  -0.908  -4.537
  337   2HG1  ILE  43          3HG1      ILE  43  15.584  -1.667  -3.251
  338   1HG2  ILE  43          1HG2      ILE  43  11.989  -0.034  -3.478
  339   2HG2  ILE  43          2HG2      ILE  43  12.304  -1.400  -4.546
  340   3HG2  ILE  43          3HG2      ILE  43  11.412  -1.641  -3.044
  341   1HD1  ILE  43          1HD1      ILE  43  13.456  -3.334  -4.414
  342   2HD1  ILE  43          2HD1      ILE  43  14.804  -2.940  -5.483
  343   3HD1  ILE  43          3HD1      ILE  43  15.105  -3.750  -3.945
  344    H    ASP  44           H        ASP  44  12.631   2.013  -1.944
  345    HA   ASP  44           HA       ASP  44  11.018   1.293   0.398
  346   1HB   ASP  44          2HB       ASP  44  11.714   3.351   1.027
  347   2HB   ASP  44          3HB       ASP  44  12.121   3.823  -0.614
  348    H    VAL  45           H        VAL  45   8.935   0.990   0.248
  349    HA   VAL  45           HA       VAL  45   7.686   1.372  -2.389
  350    HB   VAL  45           HB       VAL  45   6.037  -0.412  -1.161
  351   1HG1  VAL  45          1HG1      VAL  45   6.919  -0.525  -3.445
  352   2HG1  VAL  45          2HG1      VAL  45   8.464  -1.096  -2.815
  353   3HG1  VAL  45          3HG1      VAL  45   7.014  -2.084  -2.626
  354   1HG2  VAL  45          1HG2      VAL  45   8.804  -0.853  -0.098
  355   2HG2  VAL  45          2HG2      VAL  45   7.261  -0.910   0.754
  356   3HG2  VAL  45          3HG2      VAL  45   7.704  -2.208  -0.353
  357    H    ARG  46           H        ARG  46   6.727   3.264  -2.199
  358    HA   ARG  46           HA       ARG  46   4.368   3.462  -0.573
  359   1HB   ARG  46          2HB       ARG  46   6.826   4.990   0.071
  360   2HB   ARG  46          3HB       ARG  46   5.359   5.949  -0.034
  361   1HG   ARG  46          2HG       ARG  46   5.754   3.547   1.738
  362   2HG   ARG  46          3HG       ARG  46   5.830   5.232   2.254
  363   1HD   ARG  46          2HD       ARG  46   3.432   5.326   1.170
  364   2HD   ARG  46          3HD       ARG  46   3.475   3.587   1.451
  365    HE   ARG  46           HE       ARG  46   4.078   4.349   3.855
  366   1HH1  ARG  46          1HH1      ARG  46   1.854   5.966   1.679
  367   2HH1  ARG  46          2HH1      ARG  46   0.875   6.626   2.972
  368   1HH2  ARG  46          1HH2      ARG  46   2.762   5.220   5.547
  369   2HH2  ARG  46          2HH2      ARG  46   1.389   6.198   5.132
  370    H    ASP  47           H        ASP  47   3.546   5.946  -1.072
  371    HA   ASP  47           HA       ASP  47   3.895   6.209  -3.983
  372   1HB   ASP  47          2HB       ASP  47   1.494   6.752  -2.227
  373   2HB   ASP  47          3HB       ASP  47   1.600   7.289  -3.903
  374    HA   PRO  48           HA       PRO  48   5.572  10.110  -3.602
  375   1HB   PRO  48          2HB       PRO  48   4.394  11.699  -5.454
  376   2HB   PRO  48          3HB       PRO  48   5.419  10.322  -5.872
  377   1HG   PRO  48          2HG       PRO  48   2.428  10.488  -5.755
  378   2HG   PRO  48          3HG       PRO  48   3.458   9.766  -7.008
  379   1HD   PRO  48          2HD       PRO  48   2.249   8.266  -5.130
  380   2HD   PRO  48          3HD       PRO  48   3.861   7.860  -5.756
  381    H    ASP  49           H        ASP  49   2.100  10.349  -3.168
  382    HA   ASP  49           HA       ASP  49   2.046  13.097  -2.552
  383   1HB   ASP  49          2HB       ASP  49   0.137  11.032  -2.817
  384   2HB   ASP  49          3HB       ASP  49  -0.092  11.730  -1.215
  385    H    GLU  50           H        GLU  50   2.026  10.233  -0.448
  386    HA   GLU  50           HA       GLU  50   2.176  11.752   1.969
  387   1HB   GLU  50          2HB       GLU  50   2.577   9.630   3.059
  388   2HB   GLU  50          3HB       GLU  50   1.305   9.434   1.861
  389   1HG   GLU  50          2HG       GLU  50   4.075   8.847   1.001
  390   2HG   GLU  50          3HG       GLU  50   3.317   7.720   2.126
  391    H    LEU  51           H        LEU  51   4.493  10.377  -0.252
  392    HA   LEU  51           HA       LEU  51   6.814  10.604   1.349
  393   1HB   LEU  51          2HB       LEU  51   6.193   9.814  -1.288
  394   2HB   LEU  51          3HB       LEU  51   7.393  11.084  -1.424
  395    HG   LEU  51           HG       LEU  51   8.812   9.784   0.206
  396   1HD1  LEU  51          1HD1      LEU  51   6.468   8.230   0.407
  397   2HD1  LEU  51          2HD1      LEU  51   7.694   7.223  -0.364
  398   3HD1  LEU  51          3HD1      LEU  51   8.021   7.971   1.200
  399   1HD2  LEU  51          1HD2      LEU  51   8.497   9.550  -2.541
  400   2HD2  LEU  51          2HD2      LEU  51   9.880   9.023  -1.584
  401   3HD2  LEU  51          3HD2      LEU  51   8.585   7.888  -1.960
  402    H    LYS  52           H        LYS  52   5.114  12.800  -0.752
  403    HA   LYS  52           HA       LYS  52   7.009  14.909  -0.673
  404   1HB   LYS  52          2HB       LYS  52   5.639  15.722  -2.241
  405   2HB   LYS  52          3HB       LYS  52   4.509  14.420  -1.915
  406   1HG   LYS  52          2HG       LYS  52   3.679  15.975  -0.002
  407   2HG   LYS  52          3HG       LYS  52   4.484  17.238  -0.938
  408   1HD   LYS  52          2HD       LYS  52   2.978  17.126  -2.637
  409   2HD   LYS  52          3HD       LYS  52   2.726  15.391  -2.440
  410   1HE   LYS  52          2HE       LYS  52   1.756  17.234  -0.309
  411   2HE   LYS  52          3HE       LYS  52   0.844  17.130  -1.814
  412   1HZ   LYS  52          HZ1       LYS  52   1.607  14.619  -0.532
  413   2HZ   LYS  52          HZ2       LYS  52   0.387  15.523   0.219
  414   3HZ   LYS  52          HZ3       LYS  52   0.195  15.006  -1.388
  415    H    ALA  53           H        ALA  53   4.266  14.019   1.355
  416    HA   ALA  53           HA       ALA  53   4.274  16.475   2.797
  417   1HB   ALA  53          1HB       ALA  53   2.321  14.898   2.390
  418   2HB   ALA  53          2HB       ALA  53   2.964  13.943   3.727
  419   3HB   ALA  53          3HB       ALA  53   2.461  15.614   3.997
  420    H    MET  54           H        MET  54   5.230  13.166   3.758
  421    HA   MET  54           HA       MET  54   6.320  14.328   6.215
  422   1HB   MET  54          2HB       MET  54   6.624  11.807   6.822
  423   2HB   MET  54          3HB       MET  54   5.037  12.556   6.889
  424   1HG   MET  54          2HG       MET  54   4.254  11.396   5.104
  425   2HG   MET  54          3HG       MET  54   5.845  11.239   4.365
  426   1HE   MET  54          1HE       MET  54   5.002   9.188   3.655
  427   2HE   MET  54          2HE       MET  54   6.063   7.940   4.306
  428   3HE   MET  54          3HE       MET  54   4.333   7.888   4.641
  429    H    GLY  55           H        GLY  55   7.434  12.579   3.389
  430   1HA   GLY  55          1HA       GLY  55   9.724  13.316   2.757
  431   2HA   GLY  55          2HA       GLY  55  10.179  12.920   4.405
  432    H    LYS  56           H        LYS  56  11.693  11.805   2.652
  433    HA   LYS  56           HA       LYS  56  10.976   8.975   2.736
  434   1HB   LYS  56          2HB       LYS  56  12.086   8.874   0.354
  435   2HB   LYS  56          3HB       LYS  56  10.380   9.272   0.510
  436   1HG   LYS  56          2HG       LYS  56  10.689  11.451  -0.092
  437   2HG   LYS  56          3HG       LYS  56  12.345  11.499   0.511
  438   1HD   LYS  56          2HD       LYS  56  12.876   9.873  -1.402
  439   2HD   LYS  56          3HD       LYS  56  11.316  10.361  -2.067
  440   1HE   LYS  56          2HE       LYS  56  12.740  12.699  -1.283
  441   2HE   LYS  56          3HE       LYS  56  13.812  11.693  -2.258
  442   1HZ   LYS  56          HZ1       LYS  56  11.580  11.569  -3.694
  443   2HZ   LYS  56          HZ2       LYS  56  11.399  13.117  -3.022
  444   3HZ   LYS  56          HZ3       LYS  56  12.778  12.741  -3.934
  445    HA   PRO  57           HA       PRO  57  15.145   8.499   4.064
  446   1HB   PRO  57          2HB       PRO  57  16.010   6.300   2.629
  447   2HB   PRO  57          3HB       PRO  57  15.083   6.236   4.129
  448   1HG   PRO  57          2HG       PRO  57  14.167   5.909   1.313
  449   2HG   PRO  57          3HG       PRO  57  13.582   5.114   2.784
  450   1HD   PRO  57          2HD       PRO  57  12.238   7.131   1.554
  451   2HD   PRO  57          3HD       PRO  57  12.165   6.851   3.305
  452    H    ASP  58           H        ASP  58  17.072   9.336   3.584
  453    HA   ASP  58           HA       ASP  58  17.718   9.801   0.746
  454   1HB   ASP  58          2HB       ASP  58  17.452  11.934   1.709
  455   2HB   ASP  58          3HB       ASP  58  18.216  11.448   3.216
  456    H    VAL  59           H        VAL  59  18.875   7.951   0.375
  457    HA   VAL  59           HA       VAL  59  21.418   7.771   1.825
  458    HB   VAL  59           HB       VAL  59  21.379   5.460   2.095
  459   1HG1  VAL  59          1HG1      VAL  59  19.072   6.895   2.982
  460   2HG1  VAL  59          2HG1      VAL  59  18.643   5.213   2.670
  461   3HG1  VAL  59          3HG1      VAL  59  19.959   5.596   3.781
  462   1HG2  VAL  59          1HG2      VAL  59  19.708   5.480  -0.255
  463   2HG2  VAL  59          2HG2      VAL  59  20.725   4.195   0.396
  464   3HG2  VAL  59          3HG2      VAL  59  19.072   4.392   0.978
  465    H    LYS  60           H        LYS  60  23.053   6.564   0.646
  466    HA   LYS  60           HA       LYS  60  23.549   7.666  -1.826
  467   1HB   LYS  60          2HB       LYS  60  25.201   5.596  -1.986
  468   2HB   LYS  60          3HB       LYS  60  25.484   6.924  -0.872
  469   1HG   LYS  60          2HG       LYS  60  25.459   5.525   0.843
  470   2HG   LYS  60          3HG       LYS  60  23.842   4.969   0.409
  471   1HD   LYS  60          2HD       LYS  60  24.841   2.993   0.098
  472   2HD   LYS  60          3HD       LYS  60  25.345   3.688  -1.443
  473   1HE   LYS  60          2HE       LYS  60  26.929   3.584   1.120
  474   2HE   LYS  60          3HE       LYS  60  27.257   2.698  -0.367
  475   1HZ   LYS  60          HZ1       LYS  60  27.302   5.186  -1.284
  476   2HZ   LYS  60          HZ2       LYS  60  27.809   5.475   0.306
  477   3HZ   LYS  60          HZ3       LYS  60  28.678   4.401  -0.680
  478    H    ASN  61           H        ASN  61  22.315   4.396  -1.142
  479    HA   ASN  61           HA       ASN  61  21.611   4.195  -3.989
  480   1HB   ASN  61          2HB       ASN  61  21.854   1.682  -3.649
  481   2HB   ASN  61          3HB       ASN  61  23.342   2.618  -3.682
  482   1HD2  ASN  61          1HD2      ASN  61  23.908   0.431  -2.672
  483   2HD2  ASN  61          2HD2      ASN  61  23.873   0.362  -0.944
  484    H    TYR  62           H        TYR  62  19.639   5.232  -3.234
  485    HA   TYR  62           HA       TYR  62  17.762   3.267  -2.097
  486   1HB   TYR  62          HB2       TYR  62  17.611   4.977  -0.554
  487   2HB   TYR  62          HB3       TYR  62  18.020   6.220  -1.727
  488    HD1  TYR  62           HD1      TYR  62  15.270   3.695  -1.428
  489    HD2  TYR  62           HD2      TYR  62  16.351   7.776  -1.946
  490    HE1  TYR  62           HE1      TYR  62  12.899   4.284  -1.632
  491    HE2  TYR  62           HE2      TYR  62  13.977   8.384  -2.132
  492    HH   TYR  62           HH       TYR  62  11.425   6.160  -1.401
  493    H    LYS  63           H        LYS  63  16.166   2.591  -3.394
  494    HA   LYS  63           HA       LYS  63  15.568   4.198  -5.787
  495   1HB   LYS  63          2HB       LYS  63  15.423   1.179  -5.592
  496   2HB   LYS  63          3HB       LYS  63  15.102   2.158  -7.012
  497   1HG   LYS  63          2HG       LYS  63  17.549   2.962  -6.608
  498   2HG   LYS  63          3HG       LYS  63  17.685   1.407  -5.793
  499   1HD   LYS  63          2HD       LYS  63  16.292   1.096  -8.284
  500   2HD   LYS  63          3HD       LYS  63  17.819   1.937  -8.558
  501   1HE   LYS  63          2HE       LYS  63  18.298  -0.189  -6.742
  502   2HE   LYS  63          3HE       LYS  63  17.367  -0.832  -8.093
  503   1HZ   LYS  63          HZ1       LYS  63  19.674   0.899  -8.656
  504   2HZ   LYS  63          HZ2       LYS  63  19.954  -0.711  -8.197
  505   3HZ   LYS  63          HZ3       LYS  63  19.031  -0.369  -9.578
  506    H    HIS  64           H        HIS  64  13.553   4.967  -5.800
  507    HA   HIS  64           HA       HIS  64  11.544   3.795  -4.034
  508   1HB   HIS  64          2HB       HIS  64  11.875   6.289  -4.151
  509   2HB   HIS  64          3HB       HIS  64  11.318   6.234  -5.820
  510    HD1  HIS  64           HD1      HIS  64   9.163   7.536  -5.528
  511    HD2  HIS  64           HD2      HIS  64   9.497   4.329  -2.899
  512    HE1  HIS  64           HE1      HIS  64   6.908   7.310  -4.440
  513    HE2  HIS  64           HE2      HIS  64   7.170   5.447  -2.772
  514    H    MET  65           H        MET  65  10.311   2.209  -4.821
  515    HA   MET  65           HA       MET  65   9.932   2.110  -7.741
  516   1HB   MET  65          2HB       MET  65  10.714   0.146  -5.810
  517   2HB   MET  65          3HB       MET  65   9.199  -0.355  -6.548
  518   1HG   MET  65          2HG       MET  65  10.819  -1.309  -7.898
  519   2HG   MET  65          3HG       MET  65  10.337   0.137  -8.781
  520   1HE   MET  65          1HE       MET  65  11.905   1.415  -9.941
  521   2HE   MET  65          2HE       MET  65  11.902   2.525  -8.568
  522   3HE   MET  65          3HE       MET  65  13.427   2.047  -9.314
  523    H    SER  66           H        SER  66   8.070   3.343  -7.963
  524    HA   SER  66           HA       SER  66   5.756   2.470  -6.395
  525   1HB   SER  66          2HB       SER  66   5.288   4.891  -7.869
  526   2HB   SER  66          3HB       SER  66   5.299   4.638  -6.125
  527    HG   SER  66           HG       SER  66   7.599   5.084  -7.749
  528    H    ARG  67           H        ARG  67   4.315   1.306  -7.308
  529    HA   ARG  67           HA       ARG  67   3.144   2.017  -9.790
  530   1HB   ARG  67          2HB       ARG  67   5.135   0.223 -10.186
  531   2HB   ARG  67          3HB       ARG  67   3.815  -0.877  -9.814
  532   1HG   ARG  67          2HG       ARG  67   4.044  -0.502 -12.220
  533   2HG   ARG  67          3HG       ARG  67   2.485   0.060 -11.617
  534   1HD   ARG  67          2HD       ARG  67   4.755   1.991 -11.782
  535   2HD   ARG  67          3HD       ARG  67   3.925   1.529 -13.266
  536    HE   ARG  67           HE       ARG  67   2.838   3.091 -11.054
  537   1HH1  ARG  67          1HH1      ARG  67   2.304   1.555 -14.165
  538   2HH1  ARG  67          2HH1      ARG  67   0.773   2.338 -14.423
  539   1HH2  ARG  67          1HH2      ARG  67   0.818   4.105 -11.392
  540   2HH2  ARG  67          2HH2      ARG  67  -0.064   3.779 -12.852
  541    H    GLY  68           H        GLY  68   2.349  -1.234  -9.313
  542   1HA   GLY  68          1HA       GLY  68   0.157  -0.532  -7.545
  543   2HA   GLY  68          2HA       GLY  68   0.509  -2.125  -8.216
  544    H    LYS  69           H        LYS  69   3.110  -2.472  -7.543
  545    HA   LYS  69           HA       LYS  69   3.772  -1.661  -4.946
  546   1HB   LYS  69          2HB       LYS  69   1.984  -3.696  -4.771
  547   2HB   LYS  69          3HB       LYS  69   3.497  -4.594  -4.798
  548   1HG   LYS  69          2HG       LYS  69   2.979  -4.207  -2.524
  549   2HG   LYS  69          3HG       LYS  69   4.295  -3.103  -2.932
  550   1HD   LYS  69          2HD       LYS  69   1.572  -2.033  -3.316
  551   2HD   LYS  69          3HD       LYS  69   2.027  -2.364  -1.645
  552   1HE   LYS  69          2HE       LYS  69   3.605  -0.729  -1.606
  553   2HE   LYS  69          3HE       LYS  69   4.011  -0.928  -3.309
  554   1HZ   LYS  69          HZ1       LYS  69   1.364   0.056  -3.035
  555   2HZ   LYS  69          HZ2       LYS  69   2.437   1.046  -2.185
  556   3HZ   LYS  69          HZ3       LYS  69   2.683   0.759  -3.833
  557    H    LEU  70           H        LEU  70   5.156  -1.396  -7.129
  558    HA   LEU  70           HA       LEU  70   7.308  -1.415  -7.788
  559   1HB   LEU  70          2HB       LEU  70   8.634  -1.712  -6.056
  560   2HB   LEU  70          3HB       LEU  70   7.347  -2.555  -5.225
  561    HG   LEU  70           HG       LEU  70   8.657  -4.393  -7.012
  562   1HD1  LEU  70          1HD1      LEU  70  10.457  -2.838  -5.158
  563   2HD1  LEU  70          2HD1      LEU  70  10.874  -4.384  -5.898
  564   3HD1  LEU  70          3HD1      LEU  70  10.592  -2.969  -6.913
  565   1HD2  LEU  70          1HD2      LEU  70   7.629  -4.271  -4.381
  566   2HD2  LEU  70          2HD2      LEU  70   8.118  -5.690  -5.307
  567   3HD2  LEU  70          3HD2      LEU  70   9.290  -4.859  -4.285
  568    H    GLU  71           H        GLU  71   5.350  -4.108  -8.116
  569    HA   GLU  71           HA       GLU  71   6.935  -6.117  -9.069
  570   1HB   GLU  71          2HB       GLU  71   4.465  -5.684 -10.637
  571   2HB   GLU  71          3HB       GLU  71   5.041  -7.122  -9.809
  572   1HG   GLU  71          2HG       GLU  71   3.328  -6.672  -8.431
  573   2HG   GLU  71          3HG       GLU  71   4.492  -5.577  -7.688
  574    HA   PRO  72           HA       PRO  72   7.021  -4.689 -13.605
  575   1HB   PRO  72          2HB       PRO  72   5.817  -2.032 -13.828
  576   2HB   PRO  72          3HB       PRO  72   5.431  -3.515 -14.705
  577   1HG   PRO  72          2HG       PRO  72   3.761  -2.452 -12.874
  578   2HG   PRO  72          3HG       PRO  72   3.892  -4.201 -13.138
  579   1HD   PRO  72          2HD       PRO  72   5.131  -2.514 -10.988
  580   2HD   PRO  72          3HD       PRO  72   4.333  -4.096 -10.854
  581    H    LEU  73           H        LEU  73   7.600  -2.375 -11.111
  582    HA   LEU  73           HA       LEU  73   9.398  -0.804 -12.748
  583   1HB   LEU  73          2HB       LEU  73   7.921  -0.430 -10.302
  584   2HB   LEU  73          3HB       LEU  73   9.597   0.028 -10.073
  585    HG   LEU  73           HG       LEU  73   7.996   1.868 -10.772
  586   1HD1  LEU  73          1HD1      LEU  73  10.633   1.575 -11.187
  587   2HD1  LEU  73          2HD1      LEU  73  10.083   1.782 -12.850
  588   3HD1  LEU  73          3HD1      LEU  73   9.725   3.017 -11.643
  589   1HD2  LEU  73          1HD2      LEU  73   8.016   0.210 -13.267
  590   2HD2  LEU  73          2HD2      LEU  73   6.649   0.940 -12.424
  591   3HD2  LEU  73          3HD2      LEU  73   7.768   1.955 -13.333
  592    H    LEU  74           H        LEU  74   9.608  -3.260 -10.283
  593    HA   LEU  74           HA       LEU  74  12.233  -2.814  -9.414
  594   1HB   LEU  74          2HB       LEU  74  11.549  -4.385  -8.008
  595   2HB   LEU  74          3HB       LEU  74  10.182  -4.754  -9.036
  596    HG   LEU  74           HG       LEU  74  12.503  -6.014 -10.128
  597   1HD1  LEU  74          1HD1      LEU  74  12.021  -6.509  -7.195
  598   2HD1  LEU  74          2HD1      LEU  74  12.983  -7.546  -8.249
  599   3HD1  LEU  74          3HD1      LEU  74  13.493  -5.887  -7.938
  600   1HD2  LEU  74          1HD2      LEU  74   9.848  -6.511  -9.915
  601   2HD2  LEU  74          2HD2      LEU  74  11.050  -7.711 -10.393
  602   3HD2  LEU  74          3HD2      LEU  74  10.496  -7.634  -8.718
  603    H    ALA  75           H        ALA  75  11.001  -4.382 -12.237
  604    HA   ALA  75           HA       ALA  75  13.424  -5.694 -12.994
  605   1HB   ALA  75          1HB       ALA  75  11.024  -4.904 -14.643
  606   2HB   ALA  75          2HB       ALA  75  12.326  -5.966 -15.180
  607   3HB   ALA  75          3HB       ALA  75  11.282  -6.456 -13.844
  608    H    LYS  76           H        LYS  76  12.030  -2.527 -13.506
  609    HA   LYS  76           HA       LYS  76  13.912  -1.820 -15.559
  610   1HB   LYS  76          2HB       LYS  76  12.106   0.123 -14.154
  611   2HB   LYS  76          3HB       LYS  76  12.698   0.170 -15.809
  612   1HG   LYS  76          2HG       LYS  76  11.229  -2.217 -15.546
  613   2HG   LYS  76          3HG       LYS  76  10.274  -0.937 -14.794
  614   1HD   LYS  76          2HD       LYS  76   9.626  -0.330 -16.836
  615   2HD   LYS  76          3HD       LYS  76  11.286   0.178 -17.151
  616   1HE   LYS  76          2HE       LYS  76  11.786  -2.157 -17.875
  617   2HE   LYS  76          3HE       LYS  76  10.069  -2.525 -17.709
  618   1HZ   LYS  76          HZ1       LYS  76   9.640  -0.715 -19.337
  619   2HZ   LYS  76          HZ2       LYS  76  11.314  -0.583 -19.574
  620   3HZ   LYS  76          HZ3       LYS  76  10.517  -2.022 -19.979
  621    H    SER  77           H        SER  77  13.955  -1.672 -12.139
  622    HA   SER  77           HA       SER  77  15.490   0.722 -11.893
  623   1HB   SER  77          2HB       SER  77  15.925  -0.969  -9.644
  624   2HB   SER  77          3HB       SER  77  14.894   0.458  -9.756
  625    HG   SER  77           HG       SER  77  13.338  -0.914  -9.472
  626    H    GLY  78           H        GLY  78  16.264  -2.625 -12.437
  627   1HA   GLY  78          1HA       GLY  78  18.389  -3.282 -13.326
  628   2HA   GLY  78          2HA       GLY  78  19.112  -1.899 -12.513
  629    H    LEU  79           H        LEU  79  17.160  -4.734 -11.624
  630    HA   LEU  79           HA       LEU  79  18.940  -5.081  -9.309
  631   1HB   LEU  79          2HB       LEU  79  16.012  -5.629  -9.688
  632   2HB   LEU  79          3HB       LEU  79  16.926  -6.399  -8.403
  633    HG   LEU  79           HG       LEU  79  17.039  -3.429  -8.650
  634   1HD1  LEU  79          1HD1      LEU  79  14.671  -5.035  -7.830
  635   2HD1  LEU  79          2HD1      LEU  79  15.044  -3.547  -6.961
  636   3HD1  LEU  79          3HD1      LEU  79  14.750  -3.502  -8.699
  637   1HD2  LEU  79          1HD2      LEU  79  18.108  -5.275  -6.920
  638   2HD2  LEU  79          2HD2      LEU  79  17.935  -3.548  -6.609
  639   3HD2  LEU  79          3HD2      LEU  79  16.703  -4.675  -6.041
  640    H    ASP  80           H        ASP  80  19.658  -7.110  -8.786
  641    HA   ASP  80           HA       ASP  80  18.983  -9.325 -10.564
  642   1HB   ASP  80          2HB       ASP  80  21.672  -8.105 -10.271
  643   2HB   ASP  80          3HB       ASP  80  21.611  -9.864 -10.233
  644    HA   PRO  81           HA       PRO  81  18.614 -11.452  -6.784
  645   1HB   PRO  81          2HB       PRO  81  19.025 -14.021  -7.541
  646   2HB   PRO  81          3HB       PRO  81  17.580 -13.101  -7.991
  647   1HG   PRO  81          2HG       PRO  81  20.055 -13.641  -9.586
  648   2HG   PRO  81          3HG       PRO  81  18.358 -13.722 -10.093
  649   1HD   PRO  81          2HD       PRO  81  19.931 -11.604 -10.657
  650   2HD   PRO  81          3HD       PRO  81  18.190 -11.438 -10.347
  651    H    GLU  82           H        GLU  82  21.535 -10.700  -7.749
  652    HA   GLU  82           HA       GLU  82  22.888 -12.498  -5.855
  653   1HB   GLU  82          2HB       GLU  82  24.991 -11.867  -6.932
  654   2HB   GLU  82          3HB       GLU  82  23.874 -12.539  -8.112
  655   1HG   GLU  82          2HG       GLU  82  24.315 -10.759  -9.362
  656   2HG   GLU  82          3HG       GLU  82  23.364  -9.826  -8.208
  657    H    LYS  83           H        LYS  83  21.422  -9.603  -6.093
  658    HA   LYS  83           HA       LYS  83  23.360  -8.131  -4.480
  659   1HB   LYS  83          2HB       LYS  83  20.842  -7.295  -5.913
  660   2HB   LYS  83          3HB       LYS  83  21.760  -6.217  -4.871
  661   1HG   LYS  83          2HG       LYS  83  23.403  -7.527  -6.883
  662   2HG   LYS  83          3HG       LYS  83  22.111  -6.539  -7.569
  663   1HD   LYS  83          2HD       LYS  83  22.851  -4.629  -6.255
  664   2HD   LYS  83          3HD       LYS  83  24.112  -5.614  -5.510
  665   1HE   LYS  83          2HE       LYS  83  23.988  -5.389  -8.482
  666   2HE   LYS  83          3HE       LYS  83  24.656  -4.055  -7.543
  667   1HZ   LYS  83          HZ1       LYS  83  26.161  -5.723  -6.487
  668   2HZ   LYS  83          HZ2       LYS  83  25.615  -6.865  -7.626
  669   3HZ   LYS  83          HZ3       LYS  83  26.435  -5.472  -8.145
  670    HA   PRO  84           HA       PRO  84  20.793  -8.881  -0.863
  671   1HB   PRO  84          2HB       PRO  84  22.525  -7.115   0.606
  672   2HB   PRO  84          3HB       PRO  84  22.439  -8.875   0.697
  673   1HG   PRO  84          2HG       PRO  84  24.590  -7.486  -0.294
  674   2HG   PRO  84          3HG       PRO  84  24.194  -9.156  -0.734
  675   1HD   PRO  84          2HD       PRO  84  23.642  -6.615  -2.222
  676   2HD   PRO  84          3HD       PRO  84  24.175  -8.198  -2.841
  677    H    VAL  85           H        VAL  85  18.946  -7.772  -0.638
  678    HA   VAL  85           HA       VAL  85  19.075  -4.835  -0.790
  679    HB   VAL  85           HB       VAL  85  16.622  -5.185  -1.706
  680   1HG1  VAL  85          1HG1      VAL  85  18.714  -4.132  -2.767
  681   2HG1  VAL  85          2HG1      VAL  85  18.858  -5.657  -3.639
  682   3HG1  VAL  85          3HG1      VAL  85  17.412  -4.667  -3.830
  683   1HG2  VAL  85          1HG2      VAL  85  16.752  -7.659  -1.512
  684   2HG2  VAL  85          2HG2      VAL  85  16.379  -7.095  -3.142
  685   3HG2  VAL  85          3HG2      VAL  85  18.008  -7.651  -2.750
  686    H    VAL  86           H        VAL  86  17.576  -3.663   0.414
  687    HA   VAL  86           HA       VAL  86  16.061  -5.224   2.383
  688    HB   VAL  86           HB       VAL  86  17.779  -4.299   3.696
  689   1HG1  VAL  86          1HG1      VAL  86  17.445  -1.754   2.128
  690   2HG1  VAL  86          2HG1      VAL  86  18.428  -1.890   3.586
  691   3HG1  VAL  86          3HG1      VAL  86  18.839  -2.835   2.154
  692   1HG2  VAL  86          1HG2      VAL  86  15.503  -3.873   4.579
  693   2HG2  VAL  86          2HG2      VAL  86  16.704  -2.715   5.151
  694   3HG2  VAL  86          3HG2      VAL  86  15.573  -2.254   3.880
  695    H    VAL  87           H        VAL  87  13.989  -4.601   2.684
  696    HA   VAL  87           HA       VAL  87  13.003  -2.458   0.932
  697    HB   VAL  87           HB       VAL  87  10.744  -3.580   1.270
  698   1HG1  VAL  87          1HG1      VAL  87  12.877  -4.170  -0.485
  699   2HG1  VAL  87          2HG1      VAL  87  12.089  -5.700  -0.091
  700   3HG1  VAL  87          3HG1      VAL  87  11.147  -4.368  -0.766
  701   1HG2  VAL  87          1HG2      VAL  87  12.496  -5.784   2.351
  702   2HG2  VAL  87          2HG2      VAL  87  11.224  -4.922   3.217
  703   3HG2  VAL  87          3HG2      VAL  87  10.813  -5.981   1.869
  704    H    PHE  88           H        PHE  88  11.973  -0.758   1.772
  705    HA   PHE  88           HA       PHE  88  11.728  -0.684   4.706
  706   1HB   PHE  88          2HB       PHE  88  13.564   0.683   3.851
  707   2HB   PHE  88          3HB       PHE  88  12.467   1.514   2.756
  708    HD1  PHE  88           HD1      PHE  88  12.276   0.696   6.405
  709    HD2  PHE  88           HD2      PHE  88  12.287   3.696   3.388
  710    HE1  PHE  88           HE1      PHE  88  11.788   2.392   8.101
  711    HE2  PHE  88           HE2      PHE  88  11.797   5.398   5.087
  712    HZ   PHE  88           HZ       PHE  88  11.548   4.744   7.445
  713    H    CYS  89           H        CYS  89   9.959   0.291   5.644
  714    HA   CYS  89           HA       CYS  89   7.878   1.192   5.874
  715   1HB   CYS  89          2HB       CYS  89   8.491   2.398   3.553
  716   2HB   CYS  89          3HB       CYS  89   7.228   1.315   2.978
  717    H    LYS  90           H        LYS  90   7.758  -1.070   6.593
  718    HA   LYS  90           HA       LYS  90   6.398  -2.884   4.771
  719   1HB   LYS  90          2HB       LYS  90   6.806  -4.595   6.424
  720   2HB   LYS  90          3HB       LYS  90   8.288  -3.690   6.148
  721   1HG   LYS  90          2HG       LYS  90   8.450  -3.294   8.316
  722   2HG   LYS  90          3HG       LYS  90   6.898  -2.453   8.290
  723   1HD   LYS  90          2HD       LYS  90   5.788  -4.692   8.495
  724   2HD   LYS  90          3HD       LYS  90   7.387  -5.391   8.756
  725   1HE   LYS  90          2HE       LYS  90   7.370  -3.325  10.540
  726   2HE   LYS  90          3HE       LYS  90   5.684  -3.840  10.567
  727   1HZ   LYS  90          HZ1       LYS  90   7.509  -6.041  10.652
  728   2HZ   LYS  90          HZ2       LYS  90   7.730  -4.980  11.956
  729   3HZ   LYS  90          HZ3       LYS  90   6.208  -5.679  11.673
  730    H    THR  91           H        THR  91   5.359  -0.483   6.707
  731    HA   THR  91           HA       THR  91   3.342  -1.816   8.204
  732    HB   THR  91           HB       THR  91   2.729   0.954   7.912
  733    HG1  THR  91           HG1      THR  91   4.814   1.762   8.590
  734   1HG2  THR  91          1HG2      THR  91   3.935  -0.749  10.089
  735   2HG2  THR  91          2HG2      THR  91   3.533   0.955  10.315
  736   3HG2  THR  91          3HG2      THR  91   2.264  -0.209   9.933
  737    H    ALA  92           H        ALA  92   2.178   0.982   6.585
  738    HA   ALA  92           HA       ALA  92  -0.204  -0.315   5.849
  739   1HB   ALA  92          1HB       ALA  92   0.876   2.413   5.205
  740   2HB   ALA  92          2HB       ALA  92  -0.727   1.873   4.705
  741   3HB   ALA  92          3HB       ALA  92  -0.323   1.971   6.418
  742    H    ALA  93           H        ALA  93   2.525   0.802   3.883
  743    HA   ALA  93           HA       ALA  93   1.315   0.052   1.410
  744   1HB   ALA  93          1HB       ALA  93   3.924   1.116   2.274
  745   2HB   ALA  93          2HB       ALA  93   3.919   0.187   0.774
  746   3HB   ALA  93          3HB       ALA  93   2.882   1.604   0.937
  747    H    ARG  94           H        ARG  94   3.213  -1.520   3.801
  748    HA   ARG  94           HA       ARG  94   3.770  -3.670   4.178
  749   1HB   ARG  94          2HB       ARG  94   1.738  -4.000   2.013
  750   2HB   ARG  94          3HB       ARG  94   2.690  -5.392   2.512
  751   1HG   ARG  94          2HG       ARG  94   1.093  -3.697   4.413
  752   2HG   ARG  94          3HG       ARG  94   0.479  -5.162   3.644
  753   1HD   ARG  94          2HD       ARG  94   1.575  -6.479   5.070
  754   2HD   ARG  94          3HD       ARG  94   3.074  -5.572   4.873
  755    HE   ARG  94           HE       ARG  94   1.692  -3.928   6.447
  756   1HH1  ARG  94          1HH1      ARG  94   2.214  -7.385   6.659
  757   2HH1  ARG  94          2HH1      ARG  94   2.053  -7.437   8.383
  758   1HH2  ARG  94          1HH2      ARG  94   1.490  -3.998   8.725
  759   2HH2  ARG  94          2HH2      ARG  94   1.646  -5.513   9.564
  760    H    ALA  95           H        ALA  95   5.923  -3.039   3.600
  761    HA   ALA  95           HA       ALA  95   7.063  -3.575   1.046
  762   1HB   ALA  95          1HB       ALA  95   8.303  -3.399   3.789
  763   2HB   ALA  95          2HB       ALA  95   9.225  -3.595   2.298
  764   3HB   ALA  95          3HB       ALA  95   8.255  -2.144   2.550
  765    H    ALA  96           H        ALA  96   5.754  -5.554   3.367
  766    HA   ALA  96           HA       ALA  96   7.384  -7.834   3.341
  767   1HB   ALA  96          1HB       ALA  96   5.477  -7.455   4.885
  768   2HB   ALA  96          2HB       ALA  96   4.376  -7.755   3.542
  769   3HB   ALA  96          3HB       ALA  96   5.444  -9.037   4.108
  770    H    LEU  97           H        LEU  97   4.921  -6.658   1.096
  771    HA   LEU  97           HA       LEU  97   4.903  -9.008  -0.540
  772   1HB   LEU  97          2HB       LEU  97   3.766  -6.281  -0.706
  773   2HB   LEU  97          3HB       LEU  97   4.097  -7.064  -2.245
  774    HG   LEU  97           HG       LEU  97   1.788  -7.427  -1.602
  775   1HD1  LEU  97          1HD1      LEU  97   3.706  -9.587  -1.955
  776   2HD1  LEU  97          2HD1      LEU  97   2.211 -10.109  -1.178
  777   3HD1  LEU  97          3HD1      LEU  97   2.156  -9.303  -2.747
  778   1HD2  LEU  97          1HD2      LEU  97   2.995  -8.032   0.993
  779   2HD2  LEU  97          2HD2      LEU  97   1.375  -7.457   0.597
  780   3HD2  LEU  97          3HD2      LEU  97   1.751  -9.176   0.492
  781    H    ALA  98           H        ALA  98   6.816  -6.115  -0.356
  782    HA   ALA  98           HA       ALA  98   7.994  -6.340  -2.935
  783   1HB   ALA  98          1HB       ALA  98   8.263  -4.595  -0.583
  784   2HB   ALA  98          2HB       ALA  98   9.713  -4.764  -1.573
  785   3HB   ALA  98          3HB       ALA  98   8.211  -4.195  -2.300
  786    H    GLY  99           H        GLY  99   8.997  -7.236   0.331
  787   1HA   GLY  99          1HA       GLY  99  11.600  -8.070  -0.644
  788   2HA   GLY  99          2HA       GLY  99  11.086  -7.999   1.033
  789    H    LYS 100           H        LYS 100   8.848  -9.636   0.955
  790    HA   LYS 100           HA       LYS 100  10.115 -12.111   1.268
  791   1HB   LYS 100          2HB       LYS 100   8.184 -12.828   2.221
  792   2HB   LYS 100          3HB       LYS 100   7.841 -11.105   2.233
  793   1HG   LYS 100          2HG       LYS 100   6.122 -11.329   0.830
  794   2HG   LYS 100          3HG       LYS 100   7.005 -12.430  -0.230
  795   1HD   LYS 100          2HD       LYS 100   6.453 -13.765   2.229
  796   2HD   LYS 100          3HD       LYS 100   4.958 -13.043   1.630
  797   1HE   LYS 100          2HE       LYS 100   4.801 -14.525  -0.035
  798   2HE   LYS 100          3HE       LYS 100   6.494 -14.317  -0.480
  799   1HZ   LYS 100          HZ1       LYS 100   6.892 -15.730   1.645
  800   2HZ   LYS 100          HZ2       LYS 100   5.288 -16.229   1.397
  801   3HZ   LYS 100          HZ3       LYS 100   6.456 -16.493   0.192
  802    H    THR 101           H        THR 101   8.625 -10.710  -1.505
  803    HA   THR 101           HA       THR 101   8.021 -13.062  -2.938
  804    HB   THR 101           HB       THR 101   8.457 -11.212  -4.829
  805    HG1  THR 101           HG1      THR 101   7.599  -9.293  -3.269
  806   1HG2  THR 101          1HG2      THR 101   6.268 -12.320  -3.765
  807   2HG2  THR 101          2HG2      THR 101   6.077 -10.680  -3.145
  808   3HG2  THR 101          3HG2      THR 101   6.184 -10.958  -4.883
  809    H    LEU 102           H        LEU 102  10.664 -10.726  -3.168
  810    HA   LEU 102           HA       LEU 102  12.013 -11.851  -5.247
  811   1HB   LEU 102          2HB       LEU 102  13.032 -10.213  -2.945
  812   2HB   LEU 102          3HB       LEU 102  14.044 -10.653  -4.308
  813    HG   LEU 102           HG       LEU 102  11.524  -8.993  -4.430
  814   1HD1  LEU 102          1HD1      LEU 102  14.428  -8.361  -4.376
  815   2HD1  LEU 102          2HD1      LEU 102  13.370  -7.374  -5.384
  816   3HD1  LEU 102          3HD1      LEU 102  13.068  -7.504  -3.651
  817   1HD2  LEU 102          1HD2      LEU 102  12.728 -10.578  -6.428
  818   2HD2  LEU 102          2HD2      LEU 102  11.429  -9.399  -6.606
  819   3HD2  LEU 102          3HD2      LEU 102  13.107  -8.896  -6.801
  820    H    ARG 103           H        ARG 103  12.369 -12.650  -1.819
  821    HA   ARG 103           HA       ARG 103  14.663 -14.289  -2.154
  822   1HB   ARG 103          2HB       ARG 103  13.810 -15.299   0.093
  823   2HB   ARG 103          3HB       ARG 103  14.402 -13.646   0.047
  824   1HG   ARG 103          2HG       ARG 103  12.349 -12.751   0.416
  825   2HG   ARG 103          3HG       ARG 103  11.503 -14.077  -0.380
  826   1HD   ARG 103          2HD       ARG 103  12.968 -14.598   2.160
  827   2HD   ARG 103          3HD       ARG 103  11.404 -13.787   2.221
  828    HE   ARG 103           HE       ARG 103  10.490 -15.758   1.053
  829   1HH1  ARG 103          1HH1      ARG 103  13.499 -16.053   2.825
  830   2HH1  ARG 103          2HH1      ARG 103  13.348 -17.775   3.031
  831   1HH2  ARG 103          1HH2      ARG 103  10.319 -18.020   1.290
  832   2HH2  ARG 103          2HH2      ARG 103  11.554 -18.884   2.158
  833    H    GLU 104           H        GLU 104  11.236 -14.882  -2.467
  834    HA   GLU 104           HA       GLU 104  11.505 -17.751  -2.635
  835   1HB   GLU 104          2HB       GLU 104   9.150 -16.144  -3.604
  836   2HB   GLU 104          3HB       GLU 104   9.178 -17.817  -3.062
  837   1HG   GLU 104          2HG       GLU 104  10.122 -16.115  -0.970
  838   2HG   GLU 104          3HG       GLU 104   8.577 -15.519  -1.571
  839    H    TYR 105           H        TYR 105  12.252 -15.229  -4.659
  840    HA   TYR 105           HA       TYR 105  11.789 -16.764  -7.109
  841   1HB   TYR 105          HB2       TYR 105  12.937 -13.978  -6.790
  842   2HB   TYR 105          HB3       TYR 105  12.537 -14.766  -8.313
  843    HD1  TYR 105           HD1      TYR 105   9.908 -16.025  -7.156
  844    HD2  TYR 105           HD2      TYR 105  11.498 -12.078  -7.205
  845    HE1  TYR 105           HE1      TYR 105   7.629 -15.112  -7.009
  846    HE2  TYR 105           HE2      TYR 105   9.223 -11.158  -7.053
  847    HH   TYR 105           HH       TYR 105   6.463 -13.192  -6.439
  848    H    GLY 106           H        GLY 106  14.316 -15.484  -5.026
  849   1HA   GLY 106          1HA       GLY 106  16.093 -17.281  -4.796
  850   2HA   GLY 106          2HA       GLY 106  16.281 -17.092  -6.532
  851    H    PHE 107           H        PHE 107  15.963 -14.761  -3.861
  852    HA   PHE 107           HA       PHE 107  18.216 -13.282  -4.970
  853   1HB   PHE 107          2HB       PHE 107  15.897 -12.624  -3.295
  854   2HB   PHE 107          3HB       PHE 107  17.396 -11.858  -2.772
  855    HD1  PHE 107           HD1      PHE 107  15.466 -12.480  -5.906
  856    HD2  PHE 107           HD2      PHE 107  17.936  -9.831  -3.678
  857    HE1  PHE 107           HE1      PHE 107  15.200 -10.772  -7.655
  858    HE2  PHE 107           HE2      PHE 107  17.677  -8.117  -5.420
  859    HZ   PHE 107           HZ       PHE 107  16.308  -8.583  -7.414
  860    H    LYS 108           H        LYS 108  19.893 -12.483  -3.535
  861    HA   LYS 108           HA       LYS 108  21.069 -14.605  -2.083
  862   1HB   LYS 108          2HB       LYS 108  21.811 -11.925  -2.968
  863   2HB   LYS 108          3HB       LYS 108  22.501 -12.340  -1.406
  864   1HG   LYS 108          2HG       LYS 108  23.197 -14.541  -2.593
  865   2HG   LYS 108          3HG       LYS 108  22.948 -13.605  -4.068
  866   1HD   LYS 108          2HD       LYS 108  24.897 -12.570  -3.798
  867   2HD   LYS 108          3HD       LYS 108  24.447 -12.062  -2.169
  868   1HE   LYS 108          2HE       LYS 108  25.286 -14.881  -2.583
  869   2HE   LYS 108          3HE       LYS 108  26.528 -13.631  -2.619
  870   1HZ   LYS 108          HZ1       LYS 108  25.698 -12.882  -0.428
  871   2HZ   LYS 108          HZ2       LYS 108  24.650 -14.217  -0.395
  872   3HZ   LYS 108          HZ3       LYS 108  26.328 -14.459  -0.410
  873    H    THR 109           H        THR 109  20.428 -11.317  -0.901
  874    HA   THR 109           HA       THR 109  19.460 -12.448   1.621
  875    HB   THR 109           HB       THR 109  21.092 -10.051   2.018
  876    HG1  THR 109           HG1      THR 109  23.070 -11.029   1.666
  877   1HG2  THR 109          1HG2      THR 109  20.062 -12.035   3.575
  878   2HG2  THR 109          2HG2      THR 109  21.742 -12.551   3.417
  879   3HG2  THR 109          3HG2      THR 109  21.366 -10.952   4.063
  880    H    ILE 110           H        ILE 110  17.511 -11.627   1.982
  881    HA   ILE 110           HA       ILE 110  17.031  -8.847   1.158
  882    HB   ILE 110           HB       ILE 110  15.793 -10.646  -0.145
  883   1HG1  ILE 110          2HG1      ILE 110  13.615  -9.034   0.895
  884   2HG1  ILE 110          3HG1      ILE 110  15.074  -8.081   0.644
  885   1HG2  ILE 110          1HG2      ILE 110  14.938 -11.374   2.480
  886   2HG2  ILE 110          2HG2      ILE 110  13.537 -10.908   1.515
  887   3HG2  ILE 110          3HG2      ILE 110  14.620 -12.176   0.941
  888   1HD1  ILE 110          1HD1      ILE 110  14.316  -9.921  -1.531
  889   2HD1  ILE 110          2HD1      ILE 110  13.268  -8.526  -1.262
  890   3HD1  ILE 110          3HD1      ILE 110  14.983  -8.288  -1.595
  891    H    TYR 111           H        TYR 111  16.419  -7.451   2.666
  892    HA   TYR 111           HA       TYR 111  15.583  -8.512   5.289
  893   1HB   TYR 111          HB2       TYR 111  16.871  -5.818   4.965
  894   2HB   TYR 111          HB3       TYR 111  16.809  -6.848   6.388
  895    HD1  TYR 111           HD1      TYR 111  18.430  -6.435   3.075
  896    HD2  TYR 111           HD2      TYR 111  18.578  -8.330   6.889
  897    HE1  TYR 111           HE1      TYR 111  20.714  -7.207   2.591
  898    HE2  TYR 111           HE2      TYR 111  20.865  -9.109   6.413
  899    HH   TYR 111           HH       TYR 111  22.603  -9.000   5.019
  900    H    ASN 112           H        ASN 112  14.025  -7.254   6.438
  901    HA   ASN 112           HA       ASN 112  12.683  -5.182   4.831
  902   1HB   ASN 112          2HB       ASN 112  11.378  -7.413   5.145
  903   2HB   ASN 112          3HB       ASN 112  11.165  -6.872   6.806
  904   1HD2  ASN 112          1HD2      ASN 112   9.011  -7.314   5.199
  905   2HD2  ASN 112          2HD2      ASN 112   8.249  -5.806   4.806
  906    H    SER 113           H        SER 113  11.923  -3.406   6.021
  907    HA   SER 113           HA       SER 113  13.530  -2.951   8.380
  908   1HB   SER 113          2HB       SER 113  11.675  -1.006   7.026
  909   2HB   SER 113          3HB       SER 113  13.060  -0.640   8.060
  910    HG   SER 113           HG       SER 113  13.276  -2.029   5.592
  911    H    GLU 114           H        GLU 114  12.805  -3.439  10.312
  912    HA   GLU 114           HA       GLU 114  10.083  -3.824  10.992
  913   1HB   GLU 114          2HB       GLU 114  12.663  -3.885  12.379
  914   2HB   GLU 114          3HB       GLU 114  11.341  -3.328  13.394
  915   1HG   GLU 114          2HG       GLU 114  11.344  -5.899  11.832
  916   2HG   GLU 114          3HG       GLU 114  11.744  -5.754  13.540
  917    H    GLY 115           H        GLY 115   8.641  -2.536  12.083
  918   1HA   GLY 115          1HA       GLY 115   7.932  -0.556  13.179
  919   2HA   GLY 115          2HA       GLY 115   9.396   0.244  12.618
  920    H    GLY 116           H        GLY 116   9.328   1.403  10.796
  921   1HA   GLY 116          1HA       GLY 116   7.850   0.954   8.518
  922   2HA   GLY 116          2HA       GLY 116   6.825   1.950   9.545
  923    H    MET 117           H        MET 117   7.084   3.484   7.696
  924    HA   MET 117           HA       MET 117   9.586   4.713   7.166
  925   1HB   MET 117          2HB       MET 117   7.819   4.945   5.557
  926   2HB   MET 117          3HB       MET 117   6.746   5.650   6.755
  927   1HG   MET 117          2HG       MET 117   7.542   7.365   5.280
  928   2HG   MET 117          3HG       MET 117   8.217   7.615   6.889
  929   1HE   MET 117          1HE       MET 117   9.621   9.277   5.928
  930   2HE   MET 117          2HE       MET 117  10.947   8.517   6.808
  931   3HE   MET 117          3HE       MET 117  11.166   8.995   5.127
  932    H    ASP 118           H        ASP 118   7.140   5.142   9.582
  933    HA   ASP 118           HA       ASP 118   7.845   7.682  10.529
  934   1HB   ASP 118          2HB       ASP 118   6.400   7.278  12.289
  935   2HB   ASP 118          3HB       ASP 118   5.798   6.138  11.093
  936    H    LYS 119           H        LYS 119   9.306   4.523  11.007
  937    HA   LYS 119           HA       LYS 119  10.788   5.256  13.311
  938   1HB   LYS 119          2HB       LYS 119  10.388   2.923  11.674
  939   2HB   LYS 119          3HB       LYS 119  12.103   3.149  11.985
  940   1HG   LYS 119          2HG       LYS 119  11.041   1.699  13.646
  941   2HG   LYS 119          3HG       LYS 119  11.703   3.165  14.373
  942   1HD   LYS 119          2HD       LYS 119   8.911   3.401  13.514
  943   2HD   LYS 119          3HD       LYS 119   9.183   2.205  14.788
  944   1HE   LYS 119          2HE       LYS 119  10.307   3.880  16.148
  945   2HE   LYS 119          3HE       LYS 119  10.108   5.076  14.868
  946   1HZ   LYS 119          HZ1       LYS 119   7.661   4.726  15.112
  947   2HZ   LYS 119          HZ2       LYS 119   7.991   3.812  16.509
  948   3HZ   LYS 119          HZ3       LYS 119   8.422   5.454  16.447
  949    H    TRP 120           H        TRP 120  11.366   5.435   9.849
  950    HA   TRP 120           HA       TRP 120  14.151   5.850   9.936
  951   1HB   TRP 120          HB2       TRP 120  12.537   5.475   7.906
  952   2HB   TRP 120          HB3       TRP 120  12.419   7.230   7.916
  953    HD1  TRP 120           HD1      TRP 120  14.398   8.578   6.930
  954    HE1  TRP 120           HE1      TRP 120  16.603   7.961   5.766
  955    HE3  TRP 120           HE3      TRP 120  14.431   3.549   7.867
  956    HZ2  TRP 120           HZ2      TRP 120  18.135   5.650   5.278
  957    HZ3  TRP 120           HZ3      TRP 120  16.309   2.204   6.999
  958    HH2  TRP 120           HH2      TRP 120  18.118   3.239   5.731
  959    H    LEU 121           H        LEU 121  11.470   8.219   9.741
  960    HA   LEU 121           HA       LEU 121  13.066  10.498  10.068
  961   1HB   LEU 121          2HB       LEU 121  10.186   9.828  10.223
  962   2HB   LEU 121          3HB       LEU 121  10.679  11.279  11.070
  963    HG   LEU 121           HG       LEU 121  10.843  10.714   8.113
  964   1HD1  LEU 121          1HD1      LEU 121   9.122  12.235   9.877
  965   2HD1  LEU 121          2HD1      LEU 121   9.805  13.225   8.588
  966   3HD1  LEU 121          3HD1      LEU 121   8.894  11.769   8.192
  967   1HD2  LEU 121          1HD2      LEU 121  12.595  12.367   9.743
  968   2HD2  LEU 121          2HD2      LEU 121  12.735  11.897   8.049
  969   3HD2  LEU 121          3HD2      LEU 121  11.755  13.294   8.499
  970    H    GLU 122           H        GLU 122  11.346   8.455  12.395
  971    HA   GLU 122           HA       GLU 122  11.743  10.079  14.654
  972   1HB   GLU 122          2HB       GLU 122  10.554   7.574  14.075
  973   2HB   GLU 122          3HB       GLU 122  11.643   7.338  15.435
  974   1HG   GLU 122          2HG       GLU 122  10.400   9.611  16.186
  975   2HG   GLU 122          3HG       GLU 122   9.119   8.818  15.267
  976    H    GLU 123           H        GLU 123  13.689   7.419  13.346
  977    HA   GLU 123           HA       GLU 123  15.472   7.339  15.563
  978   1HB   GLU 123          2HB       GLU 123  14.937   5.657  13.512
  979   2HB   GLU 123          3HB       GLU 123  16.433   6.379  12.939
  980   1HG   GLU 123          2HG       GLU 123  17.113   4.477  14.079
  981   2HG   GLU 123          3HG       GLU 123  17.393   5.788  15.223
  982    H    GLY 124           H        GLY 124  15.068   9.640  13.225
  983   1HA   GLY 124          1HA       GLY 124  16.297  11.547  12.798
  984   2HA   GLY 124          2HA       GLY 124  17.520  10.957  13.914
  985    H    LEU 125           H        LEU 125  16.409   9.011  11.275
  986    HA   LEU 125           HA       LEU 125  19.082   8.829  10.243
  987   1HB   LEU 125          2HB       LEU 125  16.473   7.595   9.359
  988   2HB   LEU 125          3HB       LEU 125  18.019   7.246   8.610
  989    HG   LEU 125           HG       LEU 125  17.378   6.720  11.513
  990   1HD1  LEU 125          1HD1      LEU 125  16.791   5.207   9.104
  991   2HD1  LEU 125          2HD1      LEU 125  17.745   4.296  10.278
  992   3HD1  LEU 125          3HD1      LEU 125  16.197   5.000  10.750
  993   1HD2  LEU 125          1HD2      LEU 125  19.829   7.006  10.341
  994   2HD2  LEU 125          2HD2      LEU 125  19.496   6.065  11.793
  995   3HD2  LEU 125          3HD2      LEU 125  19.558   5.268  10.221
  996    HA   PRO 126           HA       PRO 126  19.106  11.784   6.996
  997   1HB   PRO 126          2HB       PRO 126  19.908  10.261   4.838
  998   2HB   PRO 126          3HB       PRO 126  21.001  10.886   6.080
  999   1HG   PRO 126          2HG       PRO 126  19.705   8.181   5.882
 1000   2HG   PRO 126          3HG       PRO 126  21.402   8.586   6.247
 1001   1HD   PRO 126          2HD       PRO 126  19.765   7.962   8.224
 1002   2HD   PRO 126          3HD       PRO 126  20.876   9.341   8.409
 1003    H    SER 127           H        SER 127  17.294  12.613   6.148
 1004    HA   SER 127           HA       SER 127  15.671  10.897   4.412
 1005   1HB   SER 127          2HB       SER 127  14.014  12.859   5.671
 1006   2HB   SER 127          3HB       SER 127  13.915  11.100   5.792
 1007    HG   SER 127           HG       SER 127  15.751  11.440   7.385
 1008    H    LEU 128           H        LEU 128  14.563  11.985   2.745
 1009    HA   LEU 128           HA       LEU 128  15.735  14.580   2.024
 1010   1HB   LEU 128          2HB       LEU 128  14.853  12.218   0.522
 1011   2HB   LEU 128          3HB       LEU 128  14.285  13.733  -0.153
 1012    HG   LEU 128           HG       LEU 128  17.180  13.442   0.523
 1013   1HD1  LEU 128          1HD1      LEU 128  15.785  11.741  -1.306
 1014   2HD1  LEU 128          2HD1      LEU 128  16.873  12.806  -2.196
 1015   3HD1  LEU 128          3HD1      LEU 128  17.503  11.783  -0.907
 1016   1HD2  LEU 128          1HD2      LEU 128  16.204  15.613  -0.179
 1017   2HD2  LEU 128          2HD2      LEU 128  17.457  15.020  -1.270
 1018   3HD2  LEU 128          3HD2      LEU 128  15.758  14.875  -1.717
 1019    H    ASP 129           H        ASP 129  14.519  16.180   2.772
 1020    HA   ASP 129           HA       ASP 129  11.640  16.161   2.230
 1021   1HB   ASP 129          2HB       ASP 129  11.259  15.561   4.379
 1022   2HB   ASP 129          3HB       ASP 129  12.900  15.946   4.878
 1023    H    ARG 130           H        ARG 130  10.793  18.131   1.843
 1024    HA   ARG 130           HA       ARG 130  12.656  20.318   1.465
 1025   1HB   ARG 130          2HB       ARG 130  10.846  19.699  -0.200
 1026   2HB   ARG 130          3HB       ARG 130   9.680  20.329   0.956
 1027   1HG   ARG 130          2HG       ARG 130   9.992  22.374   0.186
 1028   2HG   ARG 130          3HG       ARG 130  11.710  22.281   0.581
 1029   1HD   ARG 130          2HD       ARG 130  12.089  21.134  -1.584
 1030   2HD   ARG 130          3HD       ARG 130  10.388  21.381  -1.976
 1031    HE   ARG 130           HE       ARG 130  12.486  23.409  -1.881
 1032   1HH1  ARG 130          1HH1      ARG 130   9.094  22.641  -2.268
 1033   2HH1  ARG 130          2HH1      ARG 130   8.686  24.170  -2.985
 1034   1HH2  ARG 130          1HH2      ARG 130  11.964  25.428  -2.840
 1035   2HH2  ARG 130          2HH2      ARG 130  10.324  25.747  -3.320
 1036    H    SER 131           H        SER 131  13.182  20.838   3.582
 1037    HA   SER 131           HA       SER 131  11.764  21.087   5.820
 1038   1HB   SER 131          2HB       SER 131  13.645  23.317   5.118
 1039   2HB   SER 131          3HB       SER 131  13.447  22.473   6.654
 1040    HG   SER 131           HG       SER 131  14.490  20.699   5.820
 1041    H    HIS 132           H        HIS 132   9.878  21.918   6.262
 1042    HA   HIS 132           HA       HIS 132   8.750  24.078   4.739
 1043   1HB   HIS 132          2HB       HIS 132   7.648  22.763   7.233
 1044   2HB   HIS 132          3HB       HIS 132   6.749  23.731   6.075
 1045    HD1  HIS 132           HD1      HIS 132   6.808  20.449   7.016
 1046    HD2  HIS 132           HD2      HIS 132   7.373  22.259   3.309
 1047    HE1  HIS 132           HE1      HIS 132   6.330  18.666   5.307
 1048    HE2  HIS 132           HE2      HIS 132   6.775  19.750   3.074
 1049    H    HIS 133           H        HIS 133  10.220  25.806   5.242
 1050    HA   HIS 133           HA       HIS 133   9.933  26.828   7.990
 1051   1HB   HIS 133          2HB       HIS 133  12.211  26.674   6.196
 1052   2HB   HIS 133          3HB       HIS 133  11.953  28.312   6.786
 1053    HD1  HIS 133           HD1      HIS 133  11.428  28.224   9.605
 1054    HD2  HIS 133           HD2      HIS 133  13.843  25.318   7.847
 1055    HE1  HIS 133           HE1      HIS 133  12.781  27.231  11.481
 1056    HE2  HIS 133           HE2      HIS 133  14.116  25.369  10.418
 1057    H    HIS 134           H        HIS 134   8.979  27.338   4.798
 1058    HA   HIS 134           HA       HIS 134   8.440  30.184   5.307
 1059   1HB   HIS 134          2HB       HIS 134   9.323  28.937   3.010
 1060   2HB   HIS 134          3HB       HIS 134   7.599  29.135   2.707
 1061    HD1  HIS 134           HD1      HIS 134  10.769  30.973   2.729
 1062    HD2  HIS 134           HD2      HIS 134   6.717  31.894   2.865
 1063    HE1  HIS 134           HE1      HIS 134  10.609  33.418   2.167
 1064    HE2  HIS 134           HE2      HIS 134   8.172  33.995   2.465
 1065    H    HIS 135           H        HIS 135   7.098  27.365   5.968
 1066    HA   HIS 135           HA       HIS 135   4.351  27.949   5.237
 1067   1HB   HIS 135          2HB       HIS 135   5.046  25.631   5.180
 1068   2HB   HIS 135          3HB       HIS 135   5.637  25.717   6.830
 1069    HD1  HIS 135           HD1      HIS 135   2.200  26.941   5.773
 1070    HD2  HIS 135           HD2      HIS 135   3.974  23.828   7.881
 1071    HE1  HIS 135           HE1      HIS 135   0.308  25.683   6.847
 1072    HE2  HIS 135           HE2      HIS 135   1.393  23.717   7.992
 1073    H    HIS 136           H        HIS 136   4.850  30.085   6.438
 1074    HA   HIS 136           HA       HIS 136   4.774  29.940   9.312
 1075   1HB   HIS 136          2HB       HIS 136   4.638  32.428   9.205
 1076   2HB   HIS 136          3HB       HIS 136   6.023  31.750   8.367
 1077    HD1  HIS 136           HD1      HIS 136   2.866  31.584   6.426
 1078    HD2  HIS 136           HD2      HIS 136   6.032  34.231   6.936
 1079    HE1  HIS 136           HE1      HIS 136   2.690  33.221   4.539
 1080    HE2  HIS 136           HE2      HIS 136   4.494  34.919   4.973
 1081    H    HIS 137           H        HIS 137   2.475  29.445   7.084
 1082    HA   HIS 137           HA       HIS 137   0.357  29.612   8.951
 1083   1HB   HIS 137          2HB       HIS 137   0.816  31.972   7.413
 1084   2HB   HIS 137          3HB       HIS 137  -0.651  31.212   6.807
 1085    HD1  HIS 137           HD1      HIS 137   0.824  32.596  10.000
 1086    HD2  HIS 137           HD2      HIS 137  -2.865  31.529   8.399
 1087    HE1  HIS 137           HE1      HIS 137  -0.890  33.393  11.657
 1088    HE2  HIS 137           HE2      HIS 137  -3.117  32.690  10.698
 1089   1H    ALA   1           H1       ALA   1  23.827 -11.577 -14.964
 1090   2H    ALA   1           H2       ALA   1  22.977 -10.997 -16.313
 1091   3H    ALA   1           H3       ALA   1  24.603 -10.573 -16.092
 1092    HA   ALA   1           HA       ALA   1  22.972  -9.888 -13.844
 1093   1HB   ALA   1          1HB       ALA   1  25.373  -9.150 -14.646
 1094   2HB   ALA   1          2HB       ALA   1  24.455  -7.910 -15.502
 1095   3HB   ALA   1          3HB       ALA   1  24.330  -8.047 -13.748
 1096    H    ASP   2           H        ASP   2  20.983 -10.494 -15.181
 1097    HA   ASP   2           HA       ASP   2  19.606  -8.114 -15.964
 1098   1HB   ASP   2          2HB       ASP   2  19.090  -8.969 -18.296
 1099   2HB   ASP   2          3HB       ASP   2  20.734  -8.382 -18.067
 1100    H    MET   3           H        MET   3  19.362 -10.246 -14.061
 1101    HA   MET   3           HA       MET   3  17.293 -12.012 -15.024
 1102   1HB   MET   3          2HB       MET   3  19.080 -11.947 -12.815
 1103   2HB   MET   3          3HB       MET   3  17.442 -12.043 -12.182
 1104   1HG   MET   3          2HG       MET   3  17.135 -14.137 -12.924
 1105   2HG   MET   3          3HG       MET   3  18.017 -13.847 -14.421
 1106   1HE   MET   3          1HE       MET   3  20.555 -13.360 -14.389
 1107   2HE   MET   3          2HE       MET   3  20.971 -12.766 -12.782
 1108   3HE   MET   3          3HE       MET   3  21.703 -14.254 -13.393
 1109    H    GLY   4           H        GLY   4  17.249  -8.861 -14.248
 1110   1HA   GLY   4          1HA       GLY   4  15.052  -8.504 -12.539
 1111   2HA   GLY   4          2HA       GLY   4  15.570  -7.363 -13.769
 1112    H    GLU   5           H        GLU   5  15.231  -9.232 -15.906
 1113    HA   GLU   5           HA       GLU   5  12.403  -8.905 -16.411
 1114   1HB   GLU   5          2HB       GLU   5  12.807  -9.647 -18.601
 1115   2HB   GLU   5          3HB       GLU   5  14.250  -8.747 -18.164
 1116   1HG   GLU   5          2HG       GLU   5  15.553 -10.649 -18.026
 1117   2HG   GLU   5          3HG       GLU   5  14.160 -11.707 -17.800
 1118    H    LYS   6           H        LYS   6  14.533 -11.459 -15.408
 1119    HA   LYS   6           HA       LYS   6  12.820 -13.623 -15.955
 1120   1HB   LYS   6          2HB       LYS   6  15.135 -13.406 -14.029
 1121   2HB   LYS   6          3HB       LYS   6  14.330 -14.913 -14.449
 1122   1HG   LYS   6          2HG       LYS   6  15.321 -13.269 -16.695
 1123   2HG   LYS   6          3HG       LYS   6  16.533 -14.044 -15.672
 1124   1HD   LYS   6          2HD       LYS   6  15.578 -16.207 -16.083
 1125   2HD   LYS   6          3HD       LYS   6  14.213 -15.490 -16.942
 1126   1HE   LYS   6          2HE       LYS   6  15.452 -15.031 -18.812
 1127   2HE   LYS   6          3HE       LYS   6  16.963 -14.907 -17.912
 1128   1HZ   LYS   6          HZ1       LYS   6  15.960 -17.529 -17.704
 1129   2HZ   LYS   6          HZ2       LYS   6  16.008 -17.089 -19.342
 1130   3HZ   LYS   6          HZ3       LYS   6  17.416 -17.001 -18.394
 1131    H    PHE   7           H        PHE   7  13.584 -12.122 -12.754
 1132    HA   PHE   7           HA       PHE   7  11.548 -13.692 -11.523
 1133   1HB   PHE   7          2HB       PHE   7  11.902 -12.129  -9.528
 1134   2HB   PHE   7          3HB       PHE   7  13.241 -13.147 -10.024
 1135    HD1  PHE   7           HD1      PHE   7  11.904  -9.710 -10.588
 1136    HD2  PHE   7           HD2      PHE   7  15.322 -12.203 -10.148
 1137    HE1  PHE   7           HE1      PHE   7  13.353  -7.723 -10.623
 1138    HE2  PHE   7           HE2      PHE   7  16.778 -10.219 -10.184
 1139    HZ   PHE   7           HZ       PHE   7  15.791  -7.973 -10.419
 1140    H    ASP   8           H        ASP   8  11.598 -10.614 -13.013
 1141    HA   ASP   8           HA       ASP   8   9.391  -9.346 -11.921
 1142   1HB   ASP   8          2HB       ASP   8  10.426  -7.977 -13.443
 1143   2HB   ASP   8          3HB       ASP   8  10.675  -9.274 -14.605
 1144    H    ALA   9           H        ALA   9   9.458 -11.806 -14.486
 1145    HA   ALA   9           HA       ALA   9   6.710 -11.857 -15.061
 1146   1HB   ALA   9          1HB       ALA   9   9.029 -13.334 -15.787
 1147   2HB   ALA   9          2HB       ALA   9   7.766 -14.475 -15.321
 1148   3HB   ALA   9          3HB       ALA   9   7.456 -13.285 -16.586
 1149    H    THR  10           H        THR  10   8.645 -13.557 -12.638
 1150    HA   THR  10           HA       THR  10   6.562 -15.190 -11.625
 1151    HB   THR  10           HB       THR  10   8.664 -14.355  -9.733
 1152    HG1  THR  10           HG1      THR  10  10.295 -15.463 -10.970
 1153   1HG2  THR  10          1HG2      THR  10   7.421 -16.882 -10.744
 1154   2HG2  THR  10          2HG2      THR  10   8.966 -16.948  -9.894
 1155   3HG2  THR  10          3HG2      THR  10   7.546 -16.280  -9.089
 1156    H    PHE  11           H        PHE  11   7.864 -12.028 -10.659
 1157    HA   PHE  11           HA       PHE  11   6.271 -11.533  -8.419
 1158   1HB   PHE  11          2HB       PHE  11   8.181 -10.138  -9.824
 1159   2HB   PHE  11          3HB       PHE  11   6.729  -9.199 -10.150
 1160    HD1  PHE  11           HD1      PHE  11   5.267  -9.421  -7.614
 1161    HD2  PHE  11           HD2      PHE  11   9.424  -8.875  -8.352
 1162    HE1  PHE  11           HE1      PHE  11   5.510  -8.316  -5.428
 1163    HE2  PHE  11           HE2      PHE  11   9.672  -7.778  -6.170
 1164    HZ   PHE  11           HZ       PHE  11   7.719  -7.496  -4.707
 1165    H    LYS  12           H        LYS  12   5.710 -10.823 -11.829
 1166    HA   LYS  12           HA       LYS  12   3.186  -9.611 -11.566
 1167   1HB   LYS  12          2HB       LYS  12   5.004 -10.129 -13.580
 1168   2HB   LYS  12          3HB       LYS  12   3.622 -11.106 -14.025
 1169   1HG   LYS  12          2HG       LYS  12   2.986  -9.204 -15.059
 1170   2HG   LYS  12          3HG       LYS  12   2.354  -8.822 -13.456
 1171   1HD   LYS  12          2HD       LYS  12   3.584  -6.964 -13.576
 1172   2HD   LYS  12          3HD       LYS  12   4.978  -8.011 -13.300
 1173   1HE   LYS  12          2HE       LYS  12   4.995  -8.340 -15.838
 1174   2HE   LYS  12          3HE       LYS  12   3.908  -6.954 -15.902
 1175   1HZ   LYS  12          HZ1       LYS  12   6.633  -6.972 -14.704
 1176   2HZ   LYS  12          HZ2       LYS  12   6.209  -6.291 -16.201
 1177   3HZ   LYS  12          HZ3       LYS  12   5.585  -5.641 -14.772
 1178    H    ALA  13           H        ALA  13   4.217 -12.911 -11.625
 1179    HA   ALA  13           HA       ALA  13   1.657 -14.049 -12.257
 1180   1HB   ALA  13          1HB       ALA  13   3.815 -15.192 -12.706
 1181   2HB   ALA  13          2HB       ALA  13   4.030 -15.388 -10.966
 1182   3HB   ALA  13          3HB       ALA  13   2.675 -16.172 -11.784
 1183    H    GLN  14           H        GLN  14   3.517 -13.471  -9.313
 1184    HA   GLN  14           HA       GLN  14   1.654 -14.753  -7.574
 1185   1HB   GLN  14          2HB       GLN  14   3.738 -12.668  -6.908
 1186   2HB   GLN  14          3HB       GLN  14   2.928 -13.722  -5.763
 1187   1HG   GLN  14          2HG       GLN  14   4.309 -15.100  -7.951
 1188   2HG   GLN  14          3HG       GLN  14   5.352 -14.203  -6.851
 1189   1HE2  GLN  14          1HE2      GLN  14   4.673 -17.148  -7.394
 1190   2HE2  GLN  14          2HE2      GLN  14   4.429 -17.798  -5.806
 1191    H    VAL  15           H        VAL  15   2.355 -11.351  -8.280
 1192    HA   VAL  15           HA       VAL  15   0.342 -10.296  -6.635
 1193    HB   VAL  15           HB       VAL  15   2.206  -9.256  -8.629
 1194   1HG1  VAL  15          1HG1      VAL  15  -0.493  -7.960  -8.371
 1195   2HG1  VAL  15          2HG1      VAL  15   0.949  -7.078  -8.876
 1196   3HG1  VAL  15          3HG1      VAL  15   0.360  -8.433  -9.840
 1197   1HG2  VAL  15          1HG2      VAL  15   1.047  -8.326  -6.017
 1198   2HG2  VAL  15          2HG2      VAL  15   2.686  -8.881  -6.362
 1199   3HG2  VAL  15          3HG2      VAL  15   2.138  -7.320  -6.971
 1200    H    LYS  16           H        LYS  16   0.247 -11.462  -9.947
 1201    HA   LYS  16           HA       LYS  16  -2.221 -10.387 -10.744
 1202   1HB   LYS  16          2HB       LYS  16  -0.334 -12.161 -11.816
 1203   2HB   LYS  16          3HB       LYS  16  -1.846 -13.061 -11.767
 1204   1HG   LYS  16          2HG       LYS  16  -2.917 -11.091 -12.918
 1205   2HG   LYS  16          3HG       LYS  16  -1.284 -10.466 -13.168
 1206   1HD   LYS  16          2HD       LYS  16  -1.446 -13.237 -13.940
 1207   2HD   LYS  16          3HD       LYS  16  -2.670 -12.282 -14.780
 1208   1HE   LYS  16          2HE       LYS  16  -0.081 -10.961 -14.673
 1209   2HE   LYS  16          3HE       LYS  16  -0.014 -12.521 -15.490
 1210   1HZ   LYS  16          HZ1       LYS  16  -2.227 -10.782 -16.223
 1211   2HZ   LYS  16          HZ2       LYS  16  -0.686 -10.263 -16.706
 1212   3HZ   LYS  16          HZ3       LYS  16  -1.262 -11.783 -17.195
 1213    H    ALA  17           H        ALA  17  -1.441 -13.317  -8.933
 1214    HA   ALA  17           HA       ALA  17  -3.992 -14.489  -8.963
 1215   1HB   ALA  17          1HB       ALA  17  -1.923 -15.659  -8.291
 1216   2HB   ALA  17          2HB       ALA  17  -1.911 -14.729  -6.793
 1217   3HB   ALA  17          3HB       ALA  17  -3.231 -15.851  -7.125
 1218    H    ALA  18           H        ALA  18  -2.697 -11.868  -7.121
 1219    HA   ALA  18           HA       ALA  18  -4.652 -11.898  -5.046
 1220   1HB   ALA  18          1HB       ALA  18  -2.445 -10.837  -4.794
 1221   2HB   ALA  18          2HB       ALA  18  -2.918  -9.613  -5.972
 1222   3HB   ALA  18          3HB       ALA  18  -3.771  -9.732  -4.435
 1223    H    LYS  19           H        LYS  19  -4.483 -10.493  -8.262
 1224    HA   LYS  19           HA       LYS  19  -6.878  -8.909  -7.890
 1225   1HB   LYS  19          2HB       LYS  19  -6.153  -7.825  -9.705
 1226   2HB   LYS  19          3HB       LYS  19  -4.730  -8.853  -9.689
 1227   1HG   LYS  19          2HG       LYS  19  -6.014 -10.477 -11.114
 1228   2HG   LYS  19          3HG       LYS  19  -7.263  -9.239 -11.262
 1229   1HD   LYS  19          2HD       LYS  19  -4.477  -8.424 -11.857
 1230   2HD   LYS  19          3HD       LYS  19  -5.261  -9.498 -13.015
 1231   1HE   LYS  19          2HE       LYS  19  -5.999  -6.712 -12.212
 1232   2HE   LYS  19          3HE       LYS  19  -5.779  -7.386 -13.825
 1233   1HZ   LYS  19          HZ1       LYS  19  -7.824  -8.716 -13.426
 1234   2HZ   LYS  19          HZ2       LYS  19  -8.055  -7.857 -11.984
 1235   3HZ   LYS  19          HZ3       LYS  19  -8.091  -7.038 -13.463
 1236    H    ALA  20           H        ALA  20  -5.976 -12.064  -8.846
 1237    HA   ALA  20           HA       ALA  20  -8.369 -12.599 -10.375
 1238   1HB   ALA  20          1HB       ALA  20  -5.858 -13.631 -10.435
 1239   2HB   ALA  20          2HB       ALA  20  -6.744 -14.908  -9.599
 1240   3HB   ALA  20          3HB       ALA  20  -7.271 -14.367 -11.194
 1241    H    ASP  21           H        ASP  21  -7.513 -12.802  -7.109
 1242    HA   ASP  21           HA       ASP  21  -8.881 -15.130  -6.370
 1243   1HB   ASP  21          2HB       ASP  21  -7.075 -13.883  -5.085
 1244   2HB   ASP  21          3HB       ASP  21  -8.355 -12.809  -4.530
 1245    H    MET  22           H        MET  22 -10.117 -11.913  -6.890
 1246    HA   MET  22           HA       MET  22 -12.737 -12.872  -5.995
 1247   1HB   MET  22          2HB       MET  22 -13.202 -10.987  -4.662
 1248   2HB   MET  22          3HB       MET  22 -11.586 -11.495  -4.197
 1249   1HG   MET  22          2HG       MET  22 -11.094  -9.683  -6.191
 1250   2HG   MET  22          3HG       MET  22 -12.502  -9.000  -5.380
 1251   1HE   MET  22          1HE       MET  22  -9.316 -10.997  -4.400
 1252   2HE   MET  22          2HE       MET  22  -8.650  -9.577  -5.206
 1253   3HE   MET  22          3HE       MET  22  -8.397  -9.808  -3.476
 1254    H    VAL  23           H        VAL  23 -14.477 -11.191  -6.562
 1255    HA   VAL  23           HA       VAL  23 -14.520 -10.950  -9.370
 1256    HB   VAL  23           HB       VAL  23 -16.371  -9.576  -7.417
 1257   1HG1  VAL  23          1HG1      VAL  23 -16.611 -10.338 -10.318
 1258   2HG1  VAL  23          2HG1      VAL  23 -18.006  -9.940  -9.313
 1259   3HG1  VAL  23          3HG1      VAL  23 -16.749  -8.736  -9.594
 1260   1HG2  VAL  23          1HG2      VAL  23 -15.969 -12.386  -7.925
 1261   2HG2  VAL  23          2HG2      VAL  23 -16.999 -11.593  -6.735
 1262   3HG2  VAL  23          3HG2      VAL  23 -17.603 -11.887  -8.365
 1263    H    MET  24           H        MET  24 -13.322  -9.554 -10.442
 1264    HA   MET  24           HA       MET  24 -12.645  -6.963  -9.346
 1265   1HB   MET  24          2HB       MET  24 -11.971  -8.257 -11.993
 1266   2HB   MET  24          3HB       MET  24 -11.409  -6.665 -11.500
 1267   1HG   MET  24          2HG       MET  24 -10.810  -8.503  -9.425
 1268   2HG   MET  24          3HG       MET  24 -10.264  -9.190 -10.952
 1269   1HE   MET  24          1HE       MET  24 -10.613  -6.173  -8.914
 1270   2HE   MET  24          2HE       MET  24  -8.946  -5.949  -8.385
 1271   3HE   MET  24          3HE       MET  24  -9.586  -4.985  -9.717
 1272    H    LEU  25           H        LEU  25 -13.832  -5.236  -9.578
 1273    HA   LEU  25           HA       LEU  25 -15.634  -5.001 -11.891
 1274   1HB   LEU  25          2HB       LEU  25 -16.167  -4.717  -8.973
 1275   2HB   LEU  25          3HB       LEU  25 -16.994  -3.624 -10.063
 1276    HG   LEU  25           HG       LEU  25 -17.251  -6.605  -9.852
 1277   1HD1  LEU  25          1HD1      LEU  25 -19.083  -4.241  -9.630
 1278   2HD1  LEU  25          2HD1      LEU  25 -19.694  -5.878  -9.878
 1279   3HD1  LEU  25          3HD1      LEU  25 -18.748  -5.498  -8.438
 1280   1HD2  LEU  25          1HD2      LEU  25 -17.183  -5.192 -12.278
 1281   2HD2  LEU  25          2HD2      LEU  25 -17.731  -6.845 -12.005
 1282   3HD2  LEU  25          3HD2      LEU  25 -18.883  -5.512 -11.938
 1283    H    SER  26           H        SER  26 -15.778  -2.991 -12.778
 1284    HA   SER  26           HA       SER  26 -13.689  -1.126 -12.187
 1285   1HB   SER  26          2HB       SER  26 -15.860  -0.173 -13.917
 1286   2HB   SER  26          3HB       SER  26 -14.136  -0.343 -14.261
 1287    HG   SER  26           HG       SER  26 -15.692  -1.746 -15.454
 1288    HA   PRO  27           HA       PRO  27 -15.336   1.376  -9.017
 1289   1HB   PRO  27          2HB       PRO  27 -15.061   3.871 -10.380
 1290   2HB   PRO  27          3HB       PRO  27 -13.968   3.150  -9.199
 1291   1HG   PRO  27          2HG       PRO  27 -13.845   3.105 -12.161
 1292   2HG   PRO  27          3HG       PRO  27 -12.531   3.067 -10.971
 1293   1HD   PRO  27          2HD       PRO  27 -13.193   0.871 -12.310
 1294   2HD   PRO  27          3HD       PRO  27 -12.781   0.779 -10.587
 1295    H    LYS  28           H        LYS  28 -16.638   1.941 -12.272
 1296    HA   LYS  28           HA       LYS  28 -18.930   3.383 -11.341
 1297   1HB   LYS  28          2HB       LYS  28 -19.589   2.411 -13.828
 1298   2HB   LYS  28          3HB       LYS  28 -18.790   3.943 -13.508
 1299   1HG   LYS  28          2HG       LYS  28 -16.661   3.049 -13.982
 1300   2HG   LYS  28          3HG       LYS  28 -17.269   1.392 -13.952
 1301   1HD   LYS  28          2HD       LYS  28 -18.715   2.006 -15.915
 1302   2HD   LYS  28          3HD       LYS  28 -17.821   3.526 -16.003
 1303   1HE   LYS  28          2HE       LYS  28 -16.009   1.299 -15.816
 1304   2HE   LYS  28          3HE       LYS  28 -17.128   1.069 -17.159
 1305   1HZ   LYS  28          HZ1       LYS  28 -16.535   3.397 -17.840
 1306   2HZ   LYS  28          HZ2       LYS  28 -15.279   3.337 -16.701
 1307   3HZ   LYS  28          HZ3       LYS  28 -15.295   2.247 -18.003
 1308    H    ASP  29           H        ASP  29 -18.262   0.063 -12.384
 1309    HA   ASP  29           HA       ASP  29 -20.915  -0.912 -12.040
 1310   1HB   ASP  29          2HB       ASP  29 -18.460  -1.952 -12.985
 1311   2HB   ASP  29          3HB       ASP  29 -18.949  -2.983 -11.640
 1312    H    ALA  30           H        ALA  30 -18.183  -0.455  -9.979
 1313    HA   ALA  30           HA       ALA  30 -19.171  -2.056  -7.811
 1314   1HB   ALA  30          1HB       ALA  30 -16.737  -1.462  -8.210
 1315   2HB   ALA  30          2HB       ALA  30 -17.125   0.128  -7.549
 1316   3HB   ALA  30          3HB       ALA  30 -17.332  -1.316  -6.555
 1317    H    TYR  31           H        TYR  31 -19.161   1.393  -8.636
 1318    HA   TYR  31           HA       TYR  31 -20.376   2.310  -6.255
 1319   1HB   TYR  31          HB2       TYR  31 -19.243   3.769  -7.913
 1320   2HB   TYR  31          HB3       TYR  31 -20.581   3.522  -9.012
 1321    HD1  TYR  31           HD1      TYR  31 -20.175   4.411  -5.405
 1322    HD2  TYR  31           HD2      TYR  31 -22.087   5.274  -9.109
 1323    HE1  TYR  31           HE1      TYR  31 -21.427   6.229  -4.332
 1324    HE2  TYR  31           HE2      TYR  31 -23.348   7.093  -8.038
 1325    HH   TYR  31           HH       TYR  31 -23.651   8.295  -6.172
 1326    H    LYS  32           H        LYS  32 -21.624   1.240  -9.328
 1327    HA   LYS  32           HA       LYS  32 -24.264   1.963  -9.184
 1328   1HB   LYS  32          2HB       LYS  32 -23.120   0.800 -11.097
 1329   2HB   LYS  32          3HB       LYS  32 -23.319  -0.712 -10.222
 1330   1HG   LYS  32          2HG       LYS  32 -25.175  -0.836 -11.500
 1331   2HG   LYS  32          3HG       LYS  32 -25.853   0.130 -10.187
 1332   1HD   LYS  32          2HD       LYS  32 -24.722   2.021 -11.835
 1333   2HD   LYS  32          3HD       LYS  32 -25.364   0.834 -12.971
 1334   1HE   LYS  32          2HE       LYS  32 -27.324   1.868 -12.711
 1335   2HE   LYS  32          3HE       LYS  32 -27.389   1.092 -11.128
 1336   1HZ   LYS  32          HZ1       LYS  32 -25.842   3.500 -11.111
 1337   2HZ   LYS  32          HZ2       LYS  32 -27.439   3.771 -11.607
 1338   3HZ   LYS  32          HZ3       LYS  32 -27.135   3.035 -10.108
 1339    H    LEU  33           H        LEU  33 -22.925  -1.127  -7.995
 1340    HA   LEU  33           HA       LEU  33 -25.394  -1.844  -6.719
 1341   1HB   LEU  33          2HB       LEU  33 -23.794  -3.577  -5.585
 1342   2HB   LEU  33          3HB       LEU  33 -24.256  -3.747  -7.265
 1343    HG   LEU  33           HG       LEU  33 -21.968  -2.291  -7.508
 1344   1HD1  LEU  33          1HD1      LEU  33 -21.880  -2.925  -4.871
 1345   2HD1  LEU  33          2HD1      LEU  33 -21.025  -4.299  -5.575
 1346   3HD1  LEU  33          3HD1      LEU  33 -20.454  -2.655  -5.879
 1347   1HD2  LEU  33          1HD2      LEU  33 -22.297  -5.288  -7.401
 1348   2HD2  LEU  33          2HD2      LEU  33 -22.525  -4.248  -8.807
 1349   3HD2  LEU  33          3HD2      LEU  33 -20.918  -4.450  -8.109
 1350    H    LEU  34           H        LEU  34 -22.536  -0.134  -5.804
 1351    HA   LEU  34           HA       LEU  34 -22.636  -0.424  -3.015
 1352   1HB   LEU  34          2HB       LEU  34 -21.307   1.293  -4.961
 1353   2HB   LEU  34          3HB       LEU  34 -21.642   2.114  -3.449
 1354    HG   LEU  34           HG       LEU  34 -20.186  -0.513  -3.604
 1355   1HD1  LEU  34          1HD1      LEU  34 -19.170   1.622  -4.767
 1356   2HD1  LEU  34          2HD1      LEU  34 -18.791   2.068  -3.103
 1357   3HD1  LEU  34          3HD1      LEU  34 -18.171   0.560  -3.775
 1358   1HD2  LEU  34          1HD2      LEU  34 -21.193   1.163  -1.485
 1359   2HD2  LEU  34          2HD2      LEU  34 -20.487  -0.450  -1.401
 1360   3HD2  LEU  34          3HD2      LEU  34 -19.445   0.970  -1.367
 1361    H    GLN  35           H        GLN  35 -23.704   2.313  -4.999
 1362    HA   GLN  35           HA       GLN  35 -24.878   3.604  -2.755
 1363   1HB   GLN  35          2HB       GLN  35 -25.240   5.417  -4.173
 1364   2HB   GLN  35          3HB       GLN  35 -23.783   4.659  -4.797
 1365   1HG   GLN  35          2HG       GLN  35 -24.715   4.512  -6.786
 1366   2HG   GLN  35          3HG       GLN  35 -25.987   3.489  -6.118
 1367   1HE2  GLN  35          1HE2      GLN  35 -27.491   4.399  -7.543
 1368   2HE2  GLN  35          2HE2      GLN  35 -28.132   5.992  -7.271
 1369    H    GLU  36           H        GLU  36 -26.071   1.320  -4.994
 1370    HA   GLU  36           HA       GLU  36 -28.824   2.169  -4.544
 1371   1HB   GLU  36          2HB       GLU  36 -27.434   0.703  -6.643
 1372   2HB   GLU  36          3HB       GLU  36 -28.949  -0.057  -6.168
 1373   1HG   GLU  36          2HG       GLU  36 -30.184   1.538  -7.117
 1374   2HG   GLU  36          3HG       GLU  36 -29.153   2.831  -6.504
 1375    H    ASN  37           H        ASN  37 -26.627   0.070  -3.156
 1376    HA   ASN  37           HA       ASN  37 -28.832  -1.336  -1.826
 1377   1HB   ASN  37          2HB       ASN  37 -26.255  -2.694  -2.648
 1378   2HB   ASN  37          3HB       ASN  37 -27.603  -3.436  -1.792
 1379   1HD2  ASN  37          1HD2      ASN  37 -26.347  -2.435  -4.818
 1380   2HD2  ASN  37          2HD2      ASN  37 -27.619  -3.066  -5.809
 1381    HA   PRO  38           HA       PRO  38 -26.521   0.723   1.433
 1382   1HB   PRO  38          2HB       PRO  38 -28.729  -0.343   3.084
 1383   2HB   PRO  38          3HB       PRO  38 -28.177   1.322   2.883
 1384   1HG   PRO  38          2HG       PRO  38 -30.467   0.488   1.792
 1385   2HG   PRO  38          3HG       PRO  38 -29.412   1.637   0.948
 1386   1HD   PRO  38          2HD       PRO  38 -29.744  -1.307   0.510
 1387   2HD   PRO  38          3HD       PRO  38 -29.584  -0.003  -0.686
 1388    H    ASP  39           H        ASP  39 -26.999  -2.570   0.979
 1389    HA   ASP  39           HA       ASP  39 -25.801  -3.330   3.527
 1390   1HB   ASP  39          2HB       ASP  39 -27.571  -4.615   1.745
 1391   2HB   ASP  39          3HB       ASP  39 -26.063  -5.519   1.663
 1392    H    ILE  40           H        ILE  40 -25.030  -2.825   0.205
 1393    HA   ILE  40           HA       ILE  40 -22.494  -4.208   0.339
 1394    HB   ILE  40           HB       ILE  40 -23.445  -2.325  -1.824
 1395   1HG1  ILE  40          2HG1      ILE  40 -23.896  -5.290  -1.443
 1396   2HG1  ILE  40          3HG1      ILE  40 -25.110  -4.034  -1.651
 1397   1HG2  ILE  40          1HG2      ILE  40 -20.972  -3.061  -1.570
 1398   2HG2  ILE  40          2HG2      ILE  40 -21.546  -4.619  -2.164
 1399   3HG2  ILE  40          3HG2      ILE  40 -21.738  -3.173  -3.155
 1400   1HD1  ILE  40          1HD1      ILE  40 -23.194  -4.342  -3.864
 1401   2HD1  ILE  40          2HD1      ILE  40 -24.309  -5.682  -3.604
 1402   3HD1  ILE  40          3HD1      ILE  40 -24.934  -4.057  -3.890
 1403    H    THR  41           H        THR  41 -20.985  -3.350   1.543
 1404    HA   THR  41           HA       THR  41 -20.729  -0.434   1.720
 1405    HB   THR  41           HB       THR  41 -19.030  -2.176   3.408
 1406    HG1  THR  41           HG1      THR  41 -21.560  -2.802   3.139
 1407   1HG2  THR  41          1HG2      THR  41 -20.164   0.478   3.439
 1408   2HG2  THR  41          2HG2      THR  41 -20.533  -0.379   4.935
 1409   3HG2  THR  41          3HG2      THR  41 -18.859  -0.189   4.414
 1410    H    LEU  42           H        LEU  42 -18.785   0.646   1.268
 1411    HA   LEU  42           HA       LEU  42 -16.822  -0.929  -0.255
 1412   1HB   LEU  42          2HB       LEU  42 -17.619   0.822  -1.632
 1413   2HB   LEU  42          3HB       LEU  42 -17.582   1.984  -0.320
 1414    HG   LEU  42           HG       LEU  42 -14.946   1.306  -0.523
 1415   1HD1  LEU  42          1HD1      LEU  42 -16.270   0.685  -3.068
 1416   2HD1  LEU  42          2HD1      LEU  42 -14.852   1.725  -3.193
 1417   3HD1  LEU  42          3HD1      LEU  42 -14.718   0.141  -2.427
 1418   1HD2  LEU  42          1HD2      LEU  42 -16.665   3.523  -1.227
 1419   2HD2  LEU  42          2HD2      LEU  42 -15.046   3.530  -0.529
 1420   3HD2  LEU  42          3HD2      LEU  42 -15.252   3.432  -2.279
 1421    H    ILE  43           H        ILE  43 -14.869  -1.229   0.564
 1422    HA   ILE  43           HA       ILE  43 -14.052   0.438   2.850
 1423    HB   ILE  43           HB       ILE  43 -13.405  -2.424   2.173
 1424   1HG1  ILE  43          2HG1      ILE  43 -13.788  -2.236   4.871
 1425   2HG1  ILE  43          3HG1      ILE  43 -14.834  -0.946   4.282
 1426   1HG2  ILE  43          1HG2      ILE  43 -11.790  -0.529   3.858
 1427   2HG2  ILE  43          2HG2      ILE  43 -11.771  -2.270   4.140
 1428   3HG2  ILE  43          3HG2      ILE  43 -11.238  -1.621   2.589
 1429   1HD1  ILE  43          1HD1      ILE  43 -15.831  -2.656   2.715
 1430   2HD1  ILE  43          2HD1      ILE  43 -14.960  -3.874   3.645
 1431   3HD1  ILE  43          3HD1      ILE  43 -16.175  -2.866   4.430
 1432    H    ASP  44           H        ASP  44 -12.575   1.869   2.391
 1433    HA   ASP  44           HA       ASP  44 -10.859   1.410   0.053
 1434   1HB   ASP  44          2HB       ASP  44 -11.927   3.350  -0.518
 1435   2HB   ASP  44          3HB       ASP  44 -12.203   3.817   1.148
 1436    H    VAL  45           H        VAL  45  -8.758   1.477   0.234
 1437    HA   VAL  45           HA       VAL  45  -7.559   2.119   2.848
 1438    HB   VAL  45           HB       VAL  45  -5.866   0.281   1.468
 1439   1HG1  VAL  45          1HG1      VAL  45  -6.346   0.848   3.995
 1440   2HG1  VAL  45          2HG1      VAL  45  -7.436  -0.534   3.856
 1441   3HG1  VAL  45          3HG1      VAL  45  -5.716  -0.726   3.509
 1442   1HG2  VAL  45          1HG2      VAL  45  -8.550  -0.273   0.875
 1443   2HG2  VAL  45          2HG2      VAL  45  -7.150  -1.317   0.618
 1444   3HG2  VAL  45          3HG2      VAL  45  -8.071  -1.430   2.120
 1445    H    ARG  46           H        ARG  46  -6.760   4.084   2.364
 1446    HA   ARG  46           HA       ARG  46  -4.688   4.287   0.333
 1447   1HB   ARG  46          2HB       ARG  46  -7.007   4.771  -0.680
 1448   2HB   ARG  46          3HB       ARG  46  -6.996   6.229   0.300
 1449   1HG   ARG  46          2HG       ARG  46  -6.295   6.731  -1.946
 1450   2HG   ARG  46          3HG       ARG  46  -4.943   6.956  -0.834
 1451   1HD   ARG  46          2HD       ARG  46  -4.310   4.538  -1.463
 1452   2HD   ARG  46          3HD       ARG  46  -5.403   4.764  -2.828
 1453    HE   ARG  46           HE       ARG  46  -3.958   6.798  -3.332
 1454   1HH1  ARG  46          1HH1      ARG  46  -2.691   3.890  -1.803
 1455   2HH1  ARG  46          2HH1      ARG  46  -1.065   4.181  -2.360
 1456   1HH2  ARG  46          1HH2      ARG  46  -1.848   7.133  -4.039
 1457   2HH2  ARG  46          2HH2      ARG  46  -0.598   5.997  -3.610
 1458    H    ASP  47           H        ASP  47  -3.373   6.187   0.590
 1459    HA   ASP  47           HA       ASP  47  -3.095   6.991   3.303
 1460   1HB   ASP  47          2HB       ASP  47  -1.225   6.796   1.582
 1461   2HB   ASP  47          3HB       ASP  47  -1.791   8.336   0.937
 1462    HA   PRO  48           HA       PRO  48  -6.034  10.206   3.471
 1463   1HB   PRO  48          2HB       PRO  48  -4.899  11.675   5.508
 1464   2HB   PRO  48          3HB       PRO  48  -5.877  10.222   5.730
 1465   1HG   PRO  48          2HG       PRO  48  -2.902  10.516   5.697
 1466   2HG   PRO  48          3HG       PRO  48  -3.920   9.532   6.766
 1467   1HD   PRO  48          2HD       PRO  48  -2.589   8.439   4.718
 1468   2HD   PRO  48          3HD       PRO  48  -4.212   7.875   5.170
 1469    H    ASP  49           H        ASP  49  -2.668  10.946   2.819
 1470    HA   ASP  49           HA       ASP  49  -3.186  13.755   2.480
 1471   1HB   ASP  49          2HB       ASP  49  -0.891  12.344   2.872
 1472   2HB   ASP  49          3HB       ASP  49  -0.792  12.725   1.154
 1473    H    GLU  50           H        GLU  50  -2.888  10.988   0.277
 1474    HA   GLU  50           HA       GLU  50  -3.230  12.569  -2.088
 1475   1HB   GLU  50          2HB       GLU  50  -2.543   9.956  -1.665
 1476   2HB   GLU  50          3HB       GLU  50  -4.221   9.788  -2.172
 1477   1HG   GLU  50          2HG       GLU  50  -3.654  11.205  -4.166
 1478   2HG   GLU  50          3HG       GLU  50  -1.965  11.081  -3.684
 1479    H    LEU  51           H        LEU  51  -5.275  10.978   0.239
 1480    HA   LEU  51           HA       LEU  51  -7.794  11.293  -0.991
 1481   1HB   LEU  51          2HB       LEU  51  -6.758  10.427   1.508
 1482   2HB   LEU  51          3HB       LEU  51  -7.969  11.646   1.845
 1483    HG   LEU  51           HG       LEU  51  -9.551  10.302   0.378
 1484   1HD1  LEU  51          1HD1      LEU  51  -7.156   8.568   0.349
 1485   2HD1  LEU  51          2HD1      LEU  51  -8.717   7.772   0.551
 1486   3HD1  LEU  51          3HD1      LEU  51  -8.417   8.785  -0.864
 1487   1HD2  LEU  51          1HD2      LEU  51  -8.810  10.046   3.083
 1488   2HD2  LEU  51          2HD2      LEU  51 -10.351   9.627   2.337
 1489   3HD2  LEU  51          3HD2      LEU  51  -9.082   8.412   2.476
 1490    H    LYS  52           H        LYS  52  -5.751  13.443   0.881
 1491    HA   LYS  52           HA       LYS  52  -7.698  15.488   1.268
 1492   1HB   LYS  52          2HB       LYS  52  -4.733  15.278   1.588
 1493   2HB   LYS  52          3HB       LYS  52  -5.471  16.872   1.590
 1494   1HG   LYS  52          2HG       LYS  52  -7.047  15.808   3.389
 1495   2HG   LYS  52          3HG       LYS  52  -5.717  14.661   3.568
 1496   1HD   LYS  52          2HD       LYS  52  -5.539  17.662   3.842
 1497   2HD   LYS  52          3HD       LYS  52  -5.496  16.490   5.159
 1498   1HE   LYS  52          2HE       LYS  52  -3.500  16.324   2.934
 1499   2HE   LYS  52          3HE       LYS  52  -3.276  17.492   4.232
 1500   1HZ   LYS  52          HZ1       LYS  52  -3.831  14.701   4.951
 1501   2HZ   LYS  52          HZ2       LYS  52  -2.276  15.095   4.390
 1502   3HZ   LYS  52          HZ3       LYS  52  -2.906  15.864   5.766
 1503    H    ALA  53           H        ALA  53  -5.120  14.933  -1.080
 1504    HA   ALA  53           HA       ALA  53  -5.425  17.491  -2.289
 1505   1HB   ALA  53          1HB       ALA  53  -3.427  15.656  -2.206
 1506   2HB   ALA  53          2HB       ALA  53  -4.021  15.457  -3.856
 1507   3HB   ALA  53          3HB       ALA  53  -3.481  17.040  -3.298
 1508    H    MET  54           H        MET  54  -6.231  14.197  -3.364
 1509    HA   MET  54           HA       MET  54  -7.540  15.370  -5.705
 1510   1HB   MET  54          2HB       MET  54  -6.655  12.558  -5.075
 1511   2HB   MET  54          3HB       MET  54  -7.582  12.977  -6.511
 1512   1HG   MET  54          2HG       MET  54  -5.755  14.631  -7.050
 1513   2HG   MET  54          3HG       MET  54  -4.813  13.865  -5.773
 1514   1HE   MET  54          1HE       MET  54  -3.090  12.950  -6.417
 1515   2HE   MET  54          2HE       MET  54  -3.369  11.211  -6.526
 1516   3HE   MET  54          3HE       MET  54  -2.715  12.089  -7.907
 1517    H    GLY  55           H        GLY  55  -8.246  13.403  -2.894
 1518   1HA   GLY  55          1HA       GLY  55 -10.497  13.865  -1.986
 1519   2HA   GLY  55          2HA       GLY  55 -11.099  13.587  -3.613
 1520    H    LYS  56           H        LYS  56 -12.369  12.191  -1.892
 1521    HA   LYS  56           HA       LYS  56 -11.342   9.461  -2.200
 1522   1HB   LYS  56          2HB       LYS  56 -12.495   9.013   0.075
 1523   2HB   LYS  56          3HB       LYS  56 -10.908   9.767   0.080
 1524   1HG   LYS  56          2HG       LYS  56 -11.702  11.762   0.831
 1525   2HG   LYS  56          3HG       LYS  56 -13.282  11.547   0.074
 1526   1HD   LYS  56          2HD       LYS  56 -14.082  10.250   1.811
 1527   2HD   LYS  56          3HD       LYS  56 -12.467   9.752   2.318
 1528   1HE   LYS  56          2HE       LYS  56 -12.031  11.866   3.305
 1529   2HE   LYS  56          3HE       LYS  56 -13.464  12.580   2.568
 1530   1HZ   LYS  56          HZ1       LYS  56 -14.437  10.480   4.019
 1531   2HZ   LYS  56          HZ2       LYS  56 -13.216  11.111   5.010
 1532   3HZ   LYS  56          HZ3       LYS  56 -14.476  12.111   4.476
 1533    HA   PRO  57           HA       PRO  57 -15.268   8.502  -3.917
 1534   1HB   PRO  57          2HB       PRO  57 -15.922   6.185  -2.510
 1535   2HB   PRO  57          3HB       PRO  57 -14.982   6.268  -4.000
 1536   1HG   PRO  57          2HG       PRO  57 -14.064   5.991  -1.182
 1537   2HG   PRO  57          3HG       PRO  57 -13.353   5.333  -2.666
 1538   1HD   PRO  57          2HD       PRO  57 -12.292   7.450  -1.368
 1539   2HD   PRO  57          3HD       PRO  57 -12.214   7.285  -3.133
 1540    H    ASP  58           H        ASP  58 -17.152   9.418  -3.564
 1541    HA   ASP  58           HA       ASP  58 -18.119   9.705  -0.807
 1542   1HB   ASP  58          2HB       ASP  58 -17.819  11.782  -2.106
 1543   2HB   ASP  58          3HB       ASP  58 -18.939  11.177  -3.321
 1544    H    VAL  59           H        VAL  59 -18.906   7.520  -0.736
 1545    HA   VAL  59           HA       VAL  59 -21.389   7.167  -2.268
 1546    HB   VAL  59           HB       VAL  59 -21.004   4.934  -2.635
 1547   1HG1  VAL  59          1HG1      VAL  59 -19.071   6.475  -3.504
 1548   2HG1  VAL  59          2HG1      VAL  59 -18.096   5.530  -2.376
 1549   3HG1  VAL  59          3HG1      VAL  59 -18.973   4.722  -3.674
 1550   1HG2  VAL  59          1HG2      VAL  59 -19.535   5.008  -0.061
 1551   2HG2  VAL  59          2HG2      VAL  59 -20.754   3.875  -0.641
 1552   3HG2  VAL  59          3HG2      VAL  59 -19.093   3.756  -1.221
 1553    H    LYS  60           H        LYS  60 -23.074   5.964  -1.183
 1554    HA   LYS  60           HA       LYS  60 -23.725   7.037   1.249
 1555   1HB   LYS  60          2HB       LYS  60 -24.731   4.666  -0.272
 1556   2HB   LYS  60          3HB       LYS  60 -25.338   4.960   1.353
 1557   1HG   LYS  60          2HG       LYS  60 -26.780   6.426   0.543
 1558   2HG   LYS  60          3HG       LYS  60 -25.443   7.415  -0.047
 1559   1HD   LYS  60          2HD       LYS  60 -25.393   6.075  -2.112
 1560   2HD   LYS  60          3HD       LYS  60 -26.773   5.144  -1.524
 1561   1HE   LYS  60          2HE       LYS  60 -28.126   6.658  -2.425
 1562   2HE   LYS  60          3HE       LYS  60 -27.488   7.853  -1.295
 1563   1HZ   LYS  60          HZ1       LYS  60 -26.216   7.226  -3.901
 1564   2HZ   LYS  60          HZ2       LYS  60 -27.337   8.477  -3.690
 1565   3HZ   LYS  60          HZ3       LYS  60 -25.854   8.516  -2.863
 1566    H    ASN  61           H        ASN  61 -22.547   3.711   0.692
 1567    HA   ASN  61           HA       ASN  61 -21.973   3.550   3.573
 1568   1HB   ASN  61          2HB       ASN  61 -21.869   1.057   1.981
 1569   2HB   ASN  61          3HB       ASN  61 -22.534   1.341   3.583
 1570   1HD2  ASN  61          1HD2      ASN  61 -23.312   0.416   0.586
 1571   2HD2  ASN  61          2HD2      ASN  61 -24.970   0.900   0.533
 1572    H    TYR  62           H        TYR  62 -19.998   4.728   3.262
 1573    HA   TYR  62           HA       TYR  62 -17.860   3.068   2.095
 1574   1HB   TYR  62          HB2       TYR  62 -17.856   4.917   0.682
 1575   2HB   TYR  62          HB3       TYR  62 -18.356   6.022   1.954
 1576    HD1  TYR  62           HD1      TYR  62 -15.459   3.682   1.586
 1577    HD2  TYR  62           HD2      TYR  62 -16.770   7.673   2.234
 1578    HE1  TYR  62           HE1      TYR  62 -13.131   4.395   1.870
 1579    HE2  TYR  62           HE2      TYR  62 -14.436   8.400   2.509
 1580    HH   TYR  62           HH       TYR  62 -11.762   6.361   1.734
 1581    H    LYS  63           H        LYS  63 -16.244   2.507   3.430
 1582    HA   LYS  63           HA       LYS  63 -15.911   4.042   5.914
 1583   1HB   LYS  63          2HB       LYS  63 -15.716   1.027   5.749
 1584   2HB   LYS  63          3HB       LYS  63 -15.548   2.022   7.185
 1585   1HG   LYS  63          2HG       LYS  63 -17.954   2.780   6.579
 1586   2HG   LYS  63          3HG       LYS  63 -18.001   1.245   5.715
 1587   1HD   LYS  63          2HD       LYS  63 -16.875   0.625   8.178
 1588   2HD   LYS  63          3HD       LYS  63 -18.139   1.794   8.564
 1589   1HE   LYS  63          2HE       LYS  63 -19.119  -0.097   6.647
 1590   2HE   LYS  63          3HE       LYS  63 -18.427  -0.954   8.021
 1591   1HZ   LYS  63          HZ1       LYS  63 -20.140   1.305   8.668
 1592   2HZ   LYS  63          HZ2       LYS  63 -20.920  -0.029   7.964
 1593   3HZ   LYS  63          HZ3       LYS  63 -20.031  -0.223   9.394
 1594    H    HIS  64           H        HIS  64 -13.904   4.809   6.078
 1595    HA   HIS  64           HA       HIS  64 -11.782   3.750   4.397
 1596   1HB   HIS  64          2HB       HIS  64 -12.249   6.251   4.909
 1597   2HB   HIS  64          3HB       HIS  64 -11.489   5.930   6.462
 1598    HD1  HIS  64           HD1      HIS  64  -9.385   7.280   6.146
 1599    HD2  HIS  64           HD2      HIS  64 -10.071   4.595   3.047
 1600    HE1  HIS  64           HE1      HIS  64  -7.309   7.338   4.723
 1601    HE2  HIS  64           HE2      HIS  64  -7.876   5.912   2.725
 1602    H    MET  65           H        MET  65 -10.750   1.966   5.124
 1603    HA   MET  65           HA       MET  65 -10.393   1.688   8.036
 1604   1HB   MET  65          2HB       MET  65 -11.099  -0.173   5.905
 1605   2HB   MET  65          3HB       MET  65  -9.758  -0.756   6.881
 1606   1HG   MET  65          2HG       MET  65 -11.756  -1.604   7.831
 1607   2HG   MET  65          3HG       MET  65 -11.148  -0.347   8.908
 1608   1HE   MET  65          1HE       MET  65 -12.975   0.714  10.179
 1609   2HE   MET  65          2HE       MET  65 -12.272   2.020   9.224
 1610   3HE   MET  65          3HE       MET  65 -14.022   1.898   9.396
 1611    H    SER  66           H        SER  66  -8.474   2.706   8.420
 1612    HA   SER  66           HA       SER  66  -6.204   1.881   6.753
 1613   1HB   SER  66          2HB       SER  66  -6.367   4.452   8.312
 1614   2HB   SER  66          3HB       SER  66  -5.311   4.056   6.954
 1615    HG   SER  66           HG       SER  66  -7.690   3.702   6.023
 1616    H    ARG  67           H        ARG  67  -4.721   0.723   7.650
 1617    HA   ARG  67           HA       ARG  67  -3.666   1.394  10.240
 1618   1HB   ARG  67          2HB       ARG  67  -5.529  -0.589  10.329
 1619   2HB   ARG  67          3HB       ARG  67  -4.081  -1.530   9.999
 1620   1HG   ARG  67          2HG       ARG  67  -4.568  -1.345  12.399
 1621   2HG   ARG  67          3HG       ARG  67  -3.004  -0.657  11.968
 1622   1HD   ARG  67          2HD       ARG  67  -5.251   1.238  11.912
 1623   2HD   ARG  67          3HD       ARG  67  -4.875   0.582  13.504
 1624    HE   ARG  67           HE       ARG  67  -2.954   2.045  11.794
 1625   1HH1  ARG  67          1HH1      ARG  67  -4.110   1.042  14.946
 1626   2HH1  ARG  67          2HH1      ARG  67  -2.958   2.008  15.820
 1627   1HH2  ARG  67          1HH2      ARG  67  -1.432   3.297  12.924
 1628   2HH2  ARG  67          2HH2      ARG  67  -1.434   3.303  14.666
 1629    H    GLY  68           H        GLY  68  -2.453  -1.629   9.812
 1630   1HA   GLY  68          1HA       GLY  68  -0.400  -0.691   7.946
 1631   2HA   GLY  68          2HA       GLY  68  -0.354  -2.178   8.896
 1632    H    LYS  69           H        LYS  69  -2.814  -3.210   8.412
 1633    HA   LYS  69           HA       LYS  69  -3.339  -3.149   5.577
 1634   1HB   LYS  69          2HB       LYS  69  -1.976  -5.397   6.775
 1635   2HB   LYS  69          3HB       LYS  69  -3.550  -5.888   6.162
 1636   1HG   LYS  69          2HG       LYS  69  -1.143  -4.983   4.705
 1637   2HG   LYS  69          3HG       LYS  69  -2.338  -6.206   4.276
 1638   1HD   LYS  69          2HD       LYS  69  -3.744  -4.680   3.290
 1639   2HD   LYS  69          3HD       LYS  69  -3.185  -3.348   4.304
 1640   1HE   LYS  69          2HE       LYS  69  -0.925  -3.955   2.916
 1641   2HE   LYS  69          3HE       LYS  69  -2.169  -4.326   1.725
 1642   1HZ   LYS  69          HZ1       LYS  69  -2.995  -1.956   2.680
 1643   2HZ   LYS  69          HZ2       LYS  69  -1.315  -1.770   2.774
 1644   3HZ   LYS  69          HZ3       LYS  69  -2.049  -2.146   1.289
 1645    H    LEU  70           H        LEU  70  -4.677  -2.034   7.625
 1646    HA   LEU  70           HA       LEU  70  -6.720  -1.689   8.465
 1647   1HB   LEU  70          2HB       LEU  70  -8.329  -1.864   6.933
 1648   2HB   LEU  70          3HB       LEU  70  -7.018  -2.401   5.906
 1649    HG   LEU  70           HG       LEU  70  -8.118  -4.675   7.258
 1650   1HD1  LEU  70          1HD1      LEU  70 -10.091  -2.972   7.291
 1651   2HD1  LEU  70          2HD1      LEU  70 -10.189  -3.345   5.570
 1652   3HD1  LEU  70          3HD1      LEU  70 -10.367  -4.633   6.762
 1653   1HD2  LEU  70          1HD2      LEU  70  -6.886  -4.348   5.011
 1654   2HD2  LEU  70          2HD2      LEU  70  -8.156  -5.565   5.123
 1655   3HD2  LEU  70          3HD2      LEU  70  -8.493  -4.007   4.369
 1656    H    GLU  71           H        GLU  71  -5.435  -4.734   8.843
 1657    HA   GLU  71           HA       GLU  71  -7.345  -6.442   9.607
 1658   1HB   GLU  71          2HB       GLU  71  -5.190  -6.492  11.577
 1659   2HB   GLU  71          3HB       GLU  71  -5.698  -7.716  10.425
 1660   1HG   GLU  71          2HG       GLU  71  -3.666  -7.300   9.556
 1661   2HG   GLU  71          3HG       GLU  71  -4.539  -6.007   8.735
 1662    HA   PRO  72           HA       PRO  72  -7.856  -4.953  14.137
 1663   1HB   PRO  72          2HB       PRO  72  -6.519  -2.386  14.456
 1664   2HB   PRO  72          3HB       PRO  72  -6.299  -3.876  15.375
 1665   1HG   PRO  72          2HG       PRO  72  -4.412  -2.884  13.700
 1666   2HG   PRO  72          3HG       PRO  72  -4.606  -4.617  14.018
 1667   1HD   PRO  72          2HD       PRO  72  -5.545  -3.000  11.681
 1668   2HD   PRO  72          3HD       PRO  72  -4.810  -4.616  11.708
 1669    H    LEU  73           H        LEU  73  -7.957  -2.771  11.485
 1670    HA   LEU  73           HA       LEU  73  -9.912  -1.014  12.719
 1671   1HB   LEU  73          2HB       LEU  73  -8.185  -0.957  10.368
 1672   2HB   LEU  73          3HB       LEU  73  -9.812  -0.412  10.011
 1673    HG   LEU  73           HG       LEU  73  -7.918   1.263  10.787
 1674   1HD1  LEU  73          1HD1      LEU  73 -10.767   1.251  10.802
 1675   2HD1  LEU  73          2HD1      LEU  73 -10.182   2.201  12.169
 1676   3HD1  LEU  73          3HD1      LEU  73  -9.659   2.597  10.533
 1677   1HD2  LEU  73          1HD2      LEU  73  -7.467   0.095  12.898
 1678   2HD2  LEU  73          2HD2      LEU  73  -8.025   1.749  13.161
 1679   3HD2  LEU  73          3HD2      LEU  73  -9.129   0.394  13.410
 1680    H    LEU  74           H        LEU  74  -9.800  -3.847  10.842
 1681    HA   LEU  74           HA       LEU  74 -12.187  -3.710   9.386
 1682   1HB   LEU  74          2HB       LEU  74 -10.359  -5.396   9.145
 1683   2HB   LEU  74          3HB       LEU  74 -10.919  -6.151  10.623
 1684    HG   LEU  74           HG       LEU  74 -13.143  -6.502   9.463
 1685   1HD1  LEU  74          1HD1      LEU  74 -12.445  -4.775   7.648
 1686   2HD1  LEU  74          2HD1      LEU  74 -11.641  -6.159   6.907
 1687   3HD1  LEU  74          3HD1      LEU  74 -13.381  -6.199   7.191
 1688   1HD2  LEU  74          1HD2      LEU  74 -11.525  -8.288   9.808
 1689   2HD2  LEU  74          2HD2      LEU  74 -12.338  -8.464   8.254
 1690   3HD2  LEU  74          3HD2      LEU  74 -10.692  -7.834   8.321
 1691    H    ALA  75           H        ALA  75 -11.535  -5.135  12.568
 1692    HA   ALA  75           HA       ALA  75 -14.185  -5.882  13.135
 1693   1HB   ALA  75          1HB       ALA  75 -11.655  -5.729  14.582
 1694   2HB   ALA  75          2HB       ALA  75 -13.071  -5.469  15.602
 1695   3HB   ALA  75          3HB       ALA  75 -12.931  -6.946  14.649
 1696    H    LYS  76           H        LYS  76 -12.571  -2.835  13.305
 1697    HA   LYS  76           HA       LYS  76 -14.359  -1.624  15.179
 1698   1HB   LYS  76          2HB       LYS  76 -12.442  -0.299  13.257
 1699   2HB   LYS  76          3HB       LYS  76 -13.213   0.459  14.645
 1700   1HG   LYS  76          2HG       LYS  76 -11.611  -1.976  15.155
 1701   2HG   LYS  76          3HG       LYS  76 -10.739  -0.506  14.719
 1702   1HD   LYS  76          2HD       LYS  76 -12.695   0.237  16.609
 1703   2HD   LYS  76          3HD       LYS  76 -11.929  -1.231  17.222
 1704   1HE   LYS  76          2HE       LYS  76 -10.334   0.131  17.997
 1705   2HE   LYS  76          3HE       LYS  76  -9.788   0.225  16.323
 1706   1HZ   LYS  76          HZ1       LYS  76 -11.896   2.060  16.768
 1707   2HZ   LYS  76          HZ2       LYS  76 -10.673   2.303  17.918
 1708   3HZ   LYS  76          HZ3       LYS  76 -10.305   2.363  16.263
 1709    H    SER  77           H        SER  77 -14.438  -2.138  11.751
 1710    HA   SER  77           HA       SER  77 -16.201   0.042  11.172
 1711   1HB   SER  77          2HB       SER  77 -16.357  -2.188   9.306
 1712   2HB   SER  77          3HB       SER  77 -15.818  -0.530   9.033
 1713    HG   SER  77           HG       SER  77 -13.849  -1.218   9.101
 1714    H    GLY  78           H        GLY  78 -16.573  -3.395  11.866
 1715   1HA   GLY  78          1HA       GLY  78 -18.451  -4.384  12.875
 1716   2HA   GLY  78          2HA       GLY  78 -19.387  -2.940  12.499
 1717    H    LEU  79           H        LEU  79 -17.383  -4.836  10.305
 1718    HA   LEU  79           HA       LEU  79 -19.585  -5.057   8.450
 1719   1HB   LEU  79          2HB       LEU  79 -16.823  -6.241   8.217
 1720   2HB   LEU  79          3HB       LEU  79 -17.975  -5.976   6.922
 1721    HG   LEU  79           HG       LEU  79 -16.973  -3.638   8.490
 1722   1HD1  LEU  79          1HD1      LEU  79 -15.232  -5.405   7.218
 1723   2HD1  LEU  79          2HD1      LEU  79 -15.451  -4.073   6.084
 1724   3HD1  LEU  79          3HD1      LEU  79 -14.893  -3.749   7.725
 1725   1HD2  LEU  79          1HD2      LEU  79 -17.834  -4.036   5.627
 1726   2HD2  LEU  79          2HD2      LEU  79 -18.791  -3.302   6.913
 1727   3HD2  LEU  79          3HD2      LEU  79 -17.326  -2.506   6.342
 1728    H    ASP  80           H        ASP  80 -20.398  -7.041   7.622
 1729    HA   ASP  80           HA       ASP  80 -19.911  -9.375   9.348
 1730   1HB   ASP  80          2HB       ASP  80 -22.285  -7.947   9.228
 1731   2HB   ASP  80          3HB       ASP  80 -22.565  -9.293   8.127
 1732    HA   PRO  81           HA       PRO  81 -18.746 -11.293   5.556
 1733   1HB   PRO  81          2HB       PRO  81 -19.448 -13.821   6.924
 1734   2HB   PRO  81          3HB       PRO  81 -17.904 -13.301   6.240
 1735   1HG   PRO  81          2HG       PRO  81 -18.272 -13.394   8.879
 1736   2HG   PRO  81          3HG       PRO  81 -17.325 -12.093   8.131
 1737   1HD   PRO  81          2HD       PRO  81 -20.143 -12.046   9.142
 1738   2HD   PRO  81          3HD       PRO  81 -18.864 -10.821   9.300
 1739    H    GLU  82           H        GLU  82 -21.890 -11.131   6.563
 1740    HA   GLU  82           HA       GLU  82 -22.824 -12.928   4.438
 1741   1HB   GLU  82          2HB       GLU  82 -25.008 -12.867   5.503
 1742   2HB   GLU  82          3HB       GLU  82 -23.783 -13.358   6.663
 1743   1HG   GLU  82          2HG       GLU  82 -24.462 -11.767   8.032
 1744   2HG   GLU  82          3HG       GLU  82 -24.010 -10.553   6.836
 1745    H    LYS  83           H        LYS  83 -22.019  -9.790   4.910
 1746    HA   LYS  83           HA       LYS  83 -24.085  -8.798   3.060
 1747   1HB   LYS  83          2HB       LYS  83 -22.223  -6.996   4.572
 1748   2HB   LYS  83          3HB       LYS  83 -23.819  -6.641   3.929
 1749   1HG   LYS  83          2HG       LYS  83 -24.582  -8.418   5.699
 1750   2HG   LYS  83          3HG       LYS  83 -23.046  -7.998   6.460
 1751   1HD   LYS  83          2HD       LYS  83 -23.740  -5.913   7.019
 1752   2HD   LYS  83          3HD       LYS  83 -24.734  -5.739   5.572
 1753   1HE   LYS  83          2HE       LYS  83 -25.416  -7.392   8.002
 1754   2HE   LYS  83          3HE       LYS  83 -26.099  -5.817   7.600
 1755   1HZ   LYS  83          HZ1       LYS  83 -26.583  -7.206   5.357
 1756   2HZ   LYS  83          HZ2       LYS  83 -26.719  -8.431   6.528
 1757   3HZ   LYS  83          HZ3       LYS  83 -27.685  -7.040   6.633
 1758    HA   PRO  84           HA       PRO  84 -20.896  -8.539  -0.002
 1759   1HB   PRO  84          2HB       PRO  84 -22.379  -6.424  -1.364
 1760   2HB   PRO  84          3HB       PRO  84 -22.129  -8.100  -1.859
 1761   1HG   PRO  84          2HG       PRO  84 -24.541  -7.177  -1.084
 1762   2HG   PRO  84          3HG       PRO  84 -24.015  -8.842  -0.774
 1763   1HD   PRO  84          2HD       PRO  84 -24.000  -6.477   1.080
 1764   2HD   PRO  84          3HD       PRO  84 -24.553  -8.144   1.390
 1765    H    VAL  85           H        VAL  85 -19.102  -7.364  -0.457
 1766    HA   VAL  85           HA       VAL  85 -19.017  -4.532   0.278
 1767    HB   VAL  85           HB       VAL  85 -16.679  -5.105   1.319
 1768   1HG1  VAL  85          1HG1      VAL  85 -19.381  -5.068   2.478
 1769   2HG1  VAL  85          2HG1      VAL  85 -18.115  -5.724   3.515
 1770   3HG1  VAL  85          3HG1      VAL  85 -17.964  -4.092   2.865
 1771   1HG2  VAL  85          1HG2      VAL  85 -16.827  -7.513   0.758
 1772   2HG2  VAL  85          2HG2      VAL  85 -16.578  -7.211   2.478
 1773   3HG2  VAL  85          3HG2      VAL  85 -18.178  -7.657   1.883
 1774    H    VAL  86           H        VAL  86 -17.406  -3.352  -0.778
 1775    HA   VAL  86           HA       VAL  86 -15.824  -4.853  -2.747
 1776    HB   VAL  86           HB       VAL  86 -17.498  -3.820  -4.077
 1777   1HG1  VAL  86          1HG1      VAL  86 -17.020  -1.372  -2.412
 1778   2HG1  VAL  86          2HG1      VAL  86 -17.865  -1.320  -3.961
 1779   3HG1  VAL  86          3HG1      VAL  86 -18.517  -2.281  -2.630
 1780   1HG2  VAL  86          1HG2      VAL  86 -14.781  -2.855  -4.207
 1781   2HG2  VAL  86          2HG2      VAL  86 -15.878  -3.303  -5.514
 1782   3HG2  VAL  86          3HG2      VAL  86 -15.911  -1.667  -4.858
 1783    H    VAL  87           H        VAL  87 -13.739  -4.239  -2.977
 1784    HA   VAL  87           HA       VAL  87 -12.793  -2.190  -1.093
 1785    HB   VAL  87           HB       VAL  87 -10.555  -3.405  -1.319
 1786   1HG1  VAL  87          1HG1      VAL  87 -12.978  -4.537   0.034
 1787   2HG1  VAL  87          2HG1      VAL  87 -11.388  -5.276   0.236
 1788   3HG1  VAL  87          3HG1      VAL  87 -11.654  -3.601   0.729
 1789   1HG2  VAL  87          1HG2      VAL  87 -12.042  -4.942  -3.174
 1790   2HG2  VAL  87          2HG2      VAL  87 -10.371  -5.172  -2.658
 1791   3HG2  VAL  87          3HG2      VAL  87 -11.679  -5.986  -1.799
 1792    H    PHE  88           H        PHE  88 -11.957  -0.421  -1.883
 1793    HA   PHE  88           HA       PHE  88 -11.560  -0.266  -4.775
 1794   1HB   PHE  88          2HB       PHE  88 -13.261   1.182  -3.723
 1795   2HB   PHE  88          3HB       PHE  88 -12.019   1.913  -2.721
 1796    HD1  PHE  88           HD1      PHE  88 -11.700   1.116  -6.332
 1797    HD2  PHE  88           HD2      PHE  88 -12.251   4.149  -3.396
 1798    HE1  PHE  88           HE1      PHE  88 -11.276   2.834  -8.030
 1799    HE2  PHE  88           HE2      PHE  88 -11.829   5.868  -5.095
 1800    HZ   PHE  88           HZ       PHE  88 -11.339   5.210  -7.413
 1801    H    CYS  89           H        CYS  89  -9.708   0.368  -5.721
 1802    HA   CYS  89           HA       CYS  89  -7.631   1.250  -6.029
 1803   1HB   CYS  89          2HB       CYS  89  -8.174   2.356  -3.545
 1804   2HB   CYS  89          3HB       CYS  89  -6.680   1.460  -3.289
 1805    H    LYS  90           H        LYS  90  -7.684  -1.112  -6.617
 1806    HA   LYS  90           HA       LYS  90  -6.314  -2.958  -4.906
 1807   1HB   LYS  90          2HB       LYS  90  -6.536  -4.530  -6.657
 1808   2HB   LYS  90          3HB       LYS  90  -7.995  -3.552  -6.720
 1809   1HG   LYS  90          2HG       LYS  90  -7.543  -2.805  -8.776
 1810   2HG   LYS  90          3HG       LYS  90  -5.840  -2.535  -8.405
 1811   1HD   LYS  90          2HD       LYS  90  -6.060  -5.287  -8.425
 1812   2HD   LYS  90          3HD       LYS  90  -7.133  -4.782  -9.733
 1813   1HE   LYS  90          2HE       LYS  90  -4.532  -3.412  -9.640
 1814   2HE   LYS  90          3HE       LYS  90  -4.457  -5.138  -9.988
 1815   1HZ   LYS  90          HZ1       LYS  90  -6.448  -4.320 -11.609
 1816   2HZ   LYS  90          HZ2       LYS  90  -5.428  -2.964 -11.625
 1817   3HZ   LYS  90          HZ3       LYS  90  -4.822  -4.483 -12.078
 1818    H    THR  91           H        THR  91  -5.345  -0.573  -7.183
 1819    HA   THR  91           HA       THR  91  -2.954  -1.784  -8.047
 1820    HB   THR  91           HB       THR  91  -2.903   1.105  -8.227
 1821    HG1  THR  91           HG1      THR  91  -4.910   1.080  -9.572
 1822   1HG2  THR  91          1HG2      THR  91  -1.822  -0.624  -9.736
 1823   2HG2  THR  91          2HG2      THR  91  -3.430  -0.935 -10.388
 1824   3HG2  THR  91          3HG2      THR  91  -2.703   0.661 -10.562
 1825    H    ALA  92           H        ALA  92  -2.292   1.399  -7.045
 1826    HA   ALA  92           HA       ALA  92   0.065   0.763  -5.777
 1827   1HB   ALA  92          1HB       ALA  92  -1.481   3.132  -6.254
 1828   2HB   ALA  92          2HB       ALA  92  -0.747   3.196  -4.653
 1829   3HB   ALA  92          3HB       ALA  92   0.264   2.949  -6.076
 1830    H    ALA  93           H        ALA  93  -3.083   1.335  -4.303
 1831    HA   ALA  93           HA       ALA  93  -2.135   1.210  -1.620
 1832   1HB   ALA  93          1HB       ALA  93  -4.537   1.864  -2.954
 1833   2HB   ALA  93          2HB       ALA  93  -4.908   0.637  -1.743
 1834   3HB   ALA  93          3HB       ALA  93  -4.106   2.132  -1.266
 1835    H    ARG  94           H        ARG  94  -3.282  -1.126  -3.900
 1836    HA   ARG  94           HA       ARG  94  -3.432  -3.377  -3.895
 1837   1HB   ARG  94          2HB       ARG  94  -1.683  -3.049  -1.461
 1838   2HB   ARG  94          3HB       ARG  94  -2.171  -4.626  -2.067
 1839   1HG   ARG  94          2HG       ARG  94  -0.840  -2.647  -3.871
 1840   2HG   ARG  94          3HG       ARG  94   0.107  -3.656  -2.776
 1841   1HD   ARG  94          2HD       ARG  94   0.091  -5.114  -4.489
 1842   2HD   ARG  94          3HD       ARG  94  -1.522  -5.508  -3.895
 1843    HE   ARG  94           HE       ARG  94  -2.380  -3.915  -5.574
 1844   1HH1  ARG  94          1HH1      ARG  94   0.824  -5.257  -6.013
 1845   2HH1  ARG  94          2HH1      ARG  94   0.845  -4.994  -7.733
 1846   1HH2  ARG  94          1HH2      ARG  94  -2.368  -3.578  -7.814
 1847   2HH2  ARG  94          2HH2      ARG  94  -0.980  -4.027  -8.762
 1848    H    ALA  95           H        ALA  95  -5.699  -2.334  -3.211
 1849    HA   ALA  95           HA       ALA  95  -6.770  -2.952  -0.674
 1850   1HB   ALA  95          1HB       ALA  95  -7.697  -1.748  -3.015
 1851   2HB   ALA  95          2HB       ALA  95  -8.758  -3.131  -2.748
 1852   3HB   ALA  95          3HB       ALA  95  -8.560  -1.915  -1.486
 1853    H    ALA  96           H        ALA  96  -5.846  -4.954  -3.230
 1854    HA   ALA  96           HA       ALA  96  -7.625  -7.069  -3.176
 1855   1HB   ALA  96          1HB       ALA  96  -5.473  -6.610  -4.608
 1856   2HB   ALA  96          2HB       ALA  96  -4.710  -7.631  -3.388
 1857   3HB   ALA  96          3HB       ALA  96  -6.053  -8.255  -4.347
 1858    H    LEU  97           H        LEU  97  -5.169  -6.149  -0.887
 1859    HA   LEU  97           HA       LEU  97  -5.106  -8.623   0.547
 1860   1HB   LEU  97          2HB       LEU  97  -3.948  -5.954   0.825
 1861   2HB   LEU  97          3HB       LEU  97  -4.375  -6.683   2.362
 1862    HG   LEU  97           HG       LEU  97  -2.055  -7.145   1.824
 1863   1HD1  LEU  97          1HD1      LEU  97  -4.047  -9.320   2.012
 1864   2HD1  LEU  97          2HD1      LEU  97  -2.407  -9.790   1.565
 1865   3HD1  LEU  97          3HD1      LEU  97  -2.694  -8.918   3.070
 1866   1HD2  LEU  97          1HD2      LEU  97  -3.197  -7.806  -0.794
 1867   2HD2  LEU  97          2HD2      LEU  97  -1.585  -7.231  -0.365
 1868   3HD2  LEU  97          3HD2      LEU  97  -1.978  -8.944  -0.213
 1869    H    ALA  98           H        ALA  98  -7.071  -5.737   0.675
 1870    HA   ALA  98           HA       ALA  98  -8.284  -6.316   3.194
 1871   1HB   ALA  98          1HB       ALA  98  -9.121  -4.470   0.957
 1872   2HB   ALA  98          2HB       ALA  98  -9.882  -4.536   2.547
 1873   3HB   ALA  98          3HB       ALA  98  -8.196  -4.035   2.396
 1874    H    GLY  99           H        GLY  99  -9.213  -6.748  -0.192
 1875   1HA   GLY  99          1HA       GLY  99 -11.777  -7.831   0.494
 1876   2HA   GLY  99          2HA       GLY  99 -11.083  -7.735  -1.116
 1877    H    LYS 100           H        LYS 100  -8.835  -9.237  -0.906
 1878    HA   LYS 100           HA       LYS 100  -9.893 -11.731  -1.377
 1879   1HB   LYS 100          2HB       LYS 100  -7.760 -12.442  -1.937
 1880   2HB   LYS 100          3HB       LYS 100  -7.635 -10.698  -2.122
 1881   1HG   LYS 100          2HG       LYS 100  -5.738 -10.983  -0.958
 1882   2HG   LYS 100          3HG       LYS 100  -6.819 -10.958   0.434
 1883   1HD   LYS 100          2HD       LYS 100  -5.185 -12.822   0.484
 1884   2HD   LYS 100          3HD       LYS 100  -6.862 -13.365   0.506
 1885   1HE   LYS 100          2HE       LYS 100  -6.048 -13.173  -2.201
 1886   2HE   LYS 100          3HE       LYS 100  -4.790 -14.042  -1.322
 1887   1HZ   LYS 100          HZ1       LYS 100  -6.748 -15.368  -0.355
 1888   2HZ   LYS 100          HZ2       LYS 100  -7.632 -14.749  -1.671
 1889   3HZ   LYS 100          HZ3       LYS 100  -6.253 -15.701  -1.944
 1890    H    THR 101           H        THR 101  -8.253 -10.596   1.534
 1891    HA   THR 101           HA       THR 101  -8.232 -13.106   2.828
 1892    HB   THR 101           HB       THR 101  -8.237 -10.555   4.383
 1893    HG1  THR 101           HG1      THR 101  -6.710  -9.803   3.119
 1894   1HG2  THR 101          1HG2      THR 101  -7.756 -13.096   5.110
 1895   2HG2  THR 101          2HG2      THR 101  -6.130 -12.620   4.615
 1896   3HG2  THR 101          3HG2      THR 101  -6.973 -11.714   5.872
 1897    H    LEU 102           H        LEU 102 -10.541 -10.457   2.759
 1898    HA   LEU 102           HA       LEU 102 -12.152 -11.271   4.913
 1899   1HB   LEU 102          2HB       LEU 102 -12.552  -9.551   2.513
 1900   2HB   LEU 102          3HB       LEU 102 -13.958 -10.032   3.444
 1901    HG   LEU 102           HG       LEU 102 -11.632  -8.349   4.331
 1902   1HD1  LEU 102          1HD1      LEU 102 -14.422  -7.920   3.610
 1903   2HD1  LEU 102          2HD1      LEU 102 -13.984  -7.208   5.163
 1904   3HD1  LEU 102          3HD1      LEU 102 -13.086  -6.773   3.707
 1905   1HD2  LEU 102          1HD2      LEU 102 -13.740  -9.651   6.049
 1906   2HD2  LEU 102          2HD2      LEU 102 -12.005  -9.963   6.093
 1907   3HD2  LEU 102          3HD2      LEU 102 -12.630  -8.389   6.586
 1908    H    ARG 103           H        ARG 103 -12.508 -11.922   1.415
 1909    HA   ARG 103           HA       ARG 103 -14.808 -13.544   1.741
 1910   1HB   ARG 103          2HB       ARG 103 -14.530 -14.176  -0.553
 1911   2HB   ARG 103          3HB       ARG 103 -14.119 -12.475  -0.404
 1912   1HG   ARG 103          2HG       ARG 103 -12.017 -12.804  -1.088
 1913   2HG   ARG 103          3HG       ARG 103 -11.833 -14.273  -0.127
 1914   1HD   ARG 103          2HD       ARG 103 -13.470 -15.257  -1.930
 1915   2HD   ARG 103          3HD       ARG 103 -12.844 -13.930  -2.905
 1916    HE   ARG 103           HE       ARG 103 -10.663 -14.880  -2.737
 1917   1HH1  ARG 103          1HH1      ARG 103 -13.204 -16.905  -1.397
 1918   2HH1  ARG 103          2HH1      ARG 103 -12.279 -18.373  -1.548
 1919   1HH2  ARG 103          1HH2      ARG 103  -9.470 -16.786  -2.972
 1920   2HH2  ARG 103          2HH2      ARG 103 -10.151 -18.307  -2.453
 1921    H    GLU 104           H        GLU 104 -11.404 -14.174   1.930
 1922    HA   GLU 104           HA       GLU 104 -11.554 -17.025   1.893
 1923   1HB   GLU 104          2HB       GLU 104  -9.478 -14.995   2.555
 1924   2HB   GLU 104          3HB       GLU 104  -9.249 -16.635   3.145
 1925   1HG   GLU 104          2HG       GLU 104  -9.806 -17.219   0.624
 1926   2HG   GLU 104          3HG       GLU 104  -9.200 -15.582   0.381
 1927    H    TYR 105           H        TYR 105 -12.628 -14.793   4.108
 1928    HA   TYR 105           HA       TYR 105 -12.265 -16.680   6.332
 1929   1HB   TYR 105          HB2       TYR 105 -12.729 -13.699   6.371
 1930   2HB   TYR 105          HB3       TYR 105 -12.884 -14.711   7.804
 1931    HD1  TYR 105           HD1      TYR 105 -10.487 -16.491   6.444
 1932    HD2  TYR 105           HD2      TYR 105 -10.986 -12.484   7.781
 1933    HE1  TYR 105           HE1      TYR 105  -8.066 -16.324   6.811
 1934    HE2  TYR 105           HE2      TYR 105  -8.560 -12.309   8.157
 1935    HH   TYR 105           HH       TYR 105  -6.624 -14.095   8.639
 1936    H    GLY 106           H        GLY 106 -14.479 -15.508   4.102
 1937   1HA   GLY 106          1HA       GLY 106 -16.417 -17.066   4.112
 1938   2HA   GLY 106          2HA       GLY 106 -16.679 -16.559   5.769
 1939    H    PHE 107           H        PHE 107 -15.727 -14.022   3.673
 1940    HA   PHE 107           HA       PHE 107 -18.247 -12.733   3.994
 1941   1HB   PHE 107          2HB       PHE 107 -15.640 -12.034   2.786
 1942   2HB   PHE 107          3HB       PHE 107 -17.046 -11.215   2.108
 1943    HD1  PHE 107           HD1      PHE 107 -15.486 -12.031   5.385
 1944    HD2  PHE 107           HD2      PHE 107 -17.828  -9.298   3.123
 1945    HE1  PHE 107           HE1      PHE 107 -15.493 -10.471   7.287
 1946    HE2  PHE 107           HE2      PHE 107 -17.837  -7.729   5.019
 1947    HZ   PHE 107           HZ       PHE 107 -16.668  -8.316   7.106
 1948    H    LYS 108           H        LYS 108 -19.869 -12.411   2.586
 1949    HA   LYS 108           HA       LYS 108 -20.380 -14.484   0.781
 1950   1HB   LYS 108          2HB       LYS 108 -21.806 -12.295   1.960
 1951   2HB   LYS 108          3HB       LYS 108 -22.182 -12.370   0.244
 1952   1HG   LYS 108          2HG       LYS 108 -22.497 -14.933   0.783
 1953   2HG   LYS 108          3HG       LYS 108 -22.779 -14.307   2.409
 1954   1HD   LYS 108          2HD       LYS 108 -24.729 -13.306   1.833
 1955   2HD   LYS 108          3HD       LYS 108 -24.169 -12.910   0.208
 1956   1HE   LYS 108          2HE       LYS 108 -24.513 -15.778   0.759
 1957   2HE   LYS 108          3HE       LYS 108 -25.996 -14.825   0.774
 1958   1HZ   LYS 108          HZ1       LYS 108 -24.126 -14.442  -1.450
 1959   2HZ   LYS 108          HZ2       LYS 108 -25.063 -15.854  -1.427
 1960   3HZ   LYS 108          HZ3       LYS 108 -25.820 -14.337  -1.426
 1961    H    THR 109           H        THR 109 -20.813 -11.122  -0.203
 1962    HA   THR 109           HA       THR 109 -19.633 -11.832  -2.796
 1963    HB   THR 109           HB       THR 109 -21.208  -9.396  -2.773
 1964    HG1  THR 109           HG1      THR 109 -23.048 -11.357  -2.530
 1965   1HG2  THR 109          1HG2      THR 109 -21.035 -11.943  -4.307
 1966   2HG2  THR 109          2HG2      THR 109 -22.509 -10.983  -4.453
 1967   3HG2  THR 109          3HG2      THR 109 -20.950 -10.274  -4.875
 1968    H    ILE 110           H        ILE 110 -17.548 -11.166  -2.741
 1969    HA   ILE 110           HA       ILE 110 -17.080  -8.408  -1.849
 1970    HB   ILE 110           HB       ILE 110 -15.949 -10.313  -0.567
 1971   1HG1  ILE 110          2HG1      ILE 110 -13.759  -8.568  -1.434
 1972   2HG1  ILE 110          3HG1      ILE 110 -15.245  -7.709  -1.036
 1973   1HG2  ILE 110          1HG2      ILE 110 -14.782 -10.713  -3.205
 1974   2HG2  ILE 110          2HG2      ILE 110 -13.576 -10.565  -1.926
 1975   3HG2  ILE 110          3HG2      ILE 110 -14.837 -11.794  -1.812
 1976   1HD1  ILE 110          1HD1      ILE 110 -14.749  -9.673   0.964
 1977   2HD1  ILE 110          2HD1      ILE 110 -13.289  -8.716   0.713
 1978   3HD1  ILE 110          3HD1      ILE 110 -14.807  -7.916   1.118
 1979    H    TYR 111           H        TYR 111 -16.295  -6.981  -3.225
 1980    HA   TYR 111           HA       TYR 111 -15.393  -7.942  -5.863
 1981   1HB   TYR 111          HB2       TYR 111 -16.578  -5.216  -5.475
 1982   2HB   TYR 111          HB3       TYR 111 -16.526  -6.203  -6.929
 1983    HD1  TYR 111           HD1      TYR 111 -18.235  -5.772  -3.668
 1984    HD2  TYR 111           HD2      TYR 111 -18.338  -7.633  -7.498
 1985    HE1  TYR 111           HE1      TYR 111 -20.563  -6.450  -3.270
 1986    HE2  TYR 111           HE2      TYR 111 -20.668  -8.314  -7.104
 1987    HH   TYR 111           HH       TYR 111 -22.606  -7.571  -5.705
 1988    H    ASN 112           H        ASN 112 -13.712  -6.706  -6.868
 1989    HA   ASN 112           HA       ASN 112 -12.342  -4.820  -5.068
 1990   1HB   ASN 112          2HB       ASN 112 -11.246  -7.190  -5.580
 1991   2HB   ASN 112          3HB       ASN 112 -10.776  -6.391  -7.076
 1992   1HD2  ASN 112          1HD2      ASN 112  -9.541  -7.269  -4.333
 1993   2HD2  ASN 112          2HD2      ASN 112  -8.480  -5.943  -3.977
 1994    H    SER 113           H        SER 113 -11.387  -3.031  -6.137
 1995    HA   SER 113           HA       SER 113 -12.789  -2.373  -8.569
 1996   1HB   SER 113          2HB       SER 113 -10.750  -0.672  -7.144
 1997   2HB   SER 113          3HB       SER 113 -12.051  -0.144  -8.215
 1998    HG   SER 113           HG       SER 113 -12.763  -1.617  -5.957
 1999    H    GLU 114           H        GLU 114 -11.991  -2.084 -10.525
 2000    HA   GLU 114           HA       GLU 114  -9.176  -2.803 -11.015
 2001   1HB   GLU 114          2HB       GLU 114 -11.014  -4.019 -12.296
 2002   2HB   GLU 114          3HB       GLU 114 -11.331  -2.496 -13.112
 2003   1HG   GLU 114          2HG       GLU 114  -9.946  -3.554 -14.604
 2004   2HG   GLU 114          3HG       GLU 114  -8.809  -2.566 -13.693
 2005    H    GLY 115           H        GLY 115  -7.919  -1.387 -12.367
 2006   1HA   GLY 115          1HA       GLY 115  -7.451   0.684 -13.399
 2007   2HA   GLY 115          2HA       GLY 115  -8.976   1.307 -12.785
 2008    H    GLY 116           H        GLY 116  -9.109   1.998 -10.615
 2009   1HA   GLY 116          1HA       GLY 116  -7.504   1.849  -8.521
 2010   2HA   GLY 116          2HA       GLY 116  -6.540   2.893  -9.557
 2011    H    MET 117           H        MET 117  -6.830   4.344  -7.653
 2012    HA   MET 117           HA       MET 117  -9.368   5.484  -7.078
 2013   1HB   MET 117          2HB       MET 117  -7.274   5.521  -5.617
 2014   2HB   MET 117          3HB       MET 117  -6.702   6.827  -6.645
 2015   1HG   MET 117          2HG       MET 117  -9.409   7.122  -5.492
 2016   2HG   MET 117          3HG       MET 117  -8.046   7.230  -4.381
 2017   1HE   MET 117          1HE       MET 117  -5.930   8.563  -5.022
 2018   2HE   MET 117          2HE       MET 117  -5.878   8.746  -6.773
 2019   3HE   MET 117          3HE       MET 117  -5.986  10.172  -5.742
 2020    H    ASP 118           H        ASP 118  -6.829   6.201  -9.365
 2021    HA   ASP 118           HA       ASP 118  -7.697   8.775 -10.126
 2022   1HB   ASP 118          2HB       ASP 118  -5.694   8.594 -11.114
 2023   2HB   ASP 118          3HB       ASP 118  -5.720   6.841 -10.998
 2024    H    LYS 119           H        LYS 119  -8.786   5.543 -10.993
 2025    HA   LYS 119           HA       LYS 119 -10.256   6.282 -13.298
 2026   1HB   LYS 119          2HB       LYS 119  -9.741   3.917 -11.741
 2027   2HB   LYS 119          3HB       LYS 119 -11.462   4.042 -12.079
 2028   1HG   LYS 119          2HG       LYS 119 -10.379   2.734 -13.780
 2029   2HG   LYS 119          3HG       LYS 119 -10.955   4.252 -14.473
 2030   1HD   LYS 119          2HD       LYS 119  -8.295   4.628 -13.506
 2031   2HD   LYS 119          3HD       LYS 119  -8.337   3.180 -14.518
 2032   1HE   LYS 119          2HE       LYS 119  -8.894   4.335 -16.402
 2033   2HE   LYS 119          3HE       LYS 119  -9.763   5.584 -15.512
 2034   1HZ   LYS 119          HZ1       LYS 119  -7.323   6.096 -14.675
 2035   2HZ   LYS 119          HZ2       LYS 119  -6.926   5.399 -16.173
 2036   3HZ   LYS 119          HZ3       LYS 119  -7.940   6.759 -16.115
 2037    H    TRP 120           H        TRP 120 -10.946   6.233  -9.850
 2038    HA   TRP 120           HA       TRP 120 -13.749   6.466 -10.000
 2039   1HB   TRP 120          HB2       TRP 120 -12.280   6.004  -7.936
 2040   2HB   TRP 120          HB3       TRP 120 -12.069   7.749  -7.845
 2041    HD1  TRP 120           HD1      TRP 120 -14.047   9.162  -6.917
 2042    HE1  TRP 120           HE1      TRP 120 -16.300   8.607  -5.822
 2043    HE3  TRP 120           HE3      TRP 120 -14.199   4.141  -7.882
 2044    HZ2  TRP 120           HZ2      TRP 120 -17.917   6.347  -5.404
 2045    HZ3  TRP 120           HZ3      TRP 120 -16.152   2.855  -7.088
 2046    HH2  TRP 120           HH2      TRP 120 -17.958   3.940  -5.867
 2047    H    LEU 121           H        LEU 121 -11.236   8.992  -9.632
 2048    HA   LEU 121           HA       LEU 121 -12.995  11.174  -9.923
 2049   1HB   LEU 121          2HB       LEU 121 -10.073  10.719  -9.951
 2050   2HB   LEU 121          3HB       LEU 121 -10.627  12.164 -10.774
 2051    HG   LEU 121           HG       LEU 121 -11.153  11.482  -7.872
 2052   1HD1  LEU 121          1HD1      LEU 121  -8.922  12.699  -9.187
 2053   2HD1  LEU 121          2HD1      LEU 121  -9.729  13.883  -8.158
 2054   3HD1  LEU 121          3HD1      LEU 121  -9.162  12.359  -7.474
 2055   1HD2  LEU 121          1HD2      LEU 121 -12.757  12.985  -9.435
 2056   2HD2  LEU 121          2HD2      LEU 121 -12.509  13.274  -7.713
 2057   3HD2  LEU 121          3HD2      LEU 121 -11.598  14.204  -8.903
 2058    H    GLU 122           H        GLU 122 -11.067   9.317 -12.226
 2059    HA   GLU 122           HA       GLU 122 -11.387  10.987 -14.453
 2060   1HB   GLU 122          2HB       GLU 122 -10.131   8.549 -13.877
 2061   2HB   GLU 122          3HB       GLU 122 -11.222   8.205 -15.210
 2062   1HG   GLU 122          2HG       GLU 122 -10.080  10.514 -16.048
 2063   2HG   GLU 122          3HG       GLU 122  -8.755   9.778 -15.144
 2064    H    GLU 123           H        GLU 123 -13.419   8.418 -13.187
 2065    HA   GLU 123           HA       GLU 123 -15.121   8.401 -15.513
 2066   1HB   GLU 123          2HB       GLU 123 -14.613   6.616 -13.440
 2067   2HB   GLU 123          3HB       GLU 123 -16.262   7.157 -13.151
 2068   1HG   GLU 123          2HG       GLU 123 -16.496   5.275 -14.498
 2069   2HG   GLU 123          3HG       GLU 123 -16.688   6.632 -15.606
 2070    H    GLY 124           H        GLY 124 -14.764  10.557 -13.094
 2071   1HA   GLY 124          1HA       GLY 124 -16.037  12.375 -12.485
 2072   2HA   GLY 124          2HA       GLY 124 -17.226  11.866 -13.675
 2073    H    LEU 125           H        LEU 125 -16.141   9.767 -11.122
 2074    HA   LEU 125           HA       LEU 125 -18.842   9.458 -10.201
 2075   1HB   LEU 125          2HB       LEU 125 -16.252   8.260  -9.205
 2076   2HB   LEU 125          3HB       LEU 125 -17.852   7.788  -8.663
 2077    HG   LEU 125           HG       LEU 125 -16.914   7.538 -11.520
 2078   1HD1  LEU 125          1HD1      LEU 125 -16.327   5.915  -9.213
 2079   2HD1  LEU 125          2HD1      LEU 125 -17.223   5.004 -10.429
 2080   3HD1  LEU 125          3HD1      LEU 125 -15.709   5.801 -10.862
 2081   1HD2  LEU 125          1HD2      LEU 125 -19.361   6.633 -10.028
 2082   2HD2  LEU 125          2HD2      LEU 125 -19.265   7.611 -11.493
 2083   3HD2  LEU 125          3HD2      LEU 125 -18.857   5.895 -11.549
 2084    HA   PRO 126           HA       PRO 126 -19.060  12.189  -6.763
 2085   1HB   PRO 126          2HB       PRO 126 -19.765  10.520  -4.689
 2086   2HB   PRO 126          3HB       PRO 126 -20.895  11.135  -5.903
 2087   1HG   PRO 126          2HG       PRO 126 -19.432   8.508  -5.833
 2088   2HG   PRO 126          3HG       PRO 126 -21.153   8.820  -6.177
 2089   1HD   PRO 126          2HD       PRO 126 -19.476   8.393  -8.176
 2090   2HD   PRO 126          3HD       PRO 126 -20.676   9.701  -8.305
 2091    H    SER 127           H        SER 127 -17.327  13.094  -5.825
 2092    HA   SER 127           HA       SER 127 -15.565  11.375  -4.228
 2093   1HB   SER 127          2HB       SER 127 -13.915  13.351  -5.267
 2094   2HB   SER 127          3HB       SER 127 -13.993  11.678  -5.817
 2095    HG   SER 127           HG       SER 127 -15.567  12.330  -7.350
 2096    H    LEU 128           H        LEU 128 -14.515  12.429  -2.495
 2097    HA   LEU 128           HA       LEU 128 -15.715  15.010  -1.729
 2098   1HB   LEU 128          2HB       LEU 128 -14.505  12.866   0.026
 2099   2HB   LEU 128          3HB       LEU 128 -15.152  14.393   0.593
 2100    HG   LEU 128           HG       LEU 128 -16.971  12.629  -0.958
 2101   1HD1  LEU 128          1HD1      LEU 128 -16.071  12.084   1.863
 2102   2HD1  LEU 128          2HD1      LEU 128 -17.549  11.431   1.156
 2103   3HD1  LEU 128          3HD1      LEU 128 -15.981  10.999   0.476
 2104   1HD2  LEU 128          1HD2      LEU 128 -17.517  14.926  -0.025
 2105   2HD2  LEU 128          2HD2      LEU 128 -18.636  13.623   0.376
 2106   3HD2  LEU 128          3HD2      LEU 128 -17.461  14.175   1.571
 2107    H    ASP 129           H        ASP 129 -14.293  16.473  -2.482
 2108    HA   ASP 129           HA       ASP 129 -11.497  16.235  -1.607
 2109   1HB   ASP 129          2HB       ASP 129 -10.808  16.162  -3.737
 2110   2HB   ASP 129          3HB       ASP 129 -12.479  16.155  -4.278
 2111    H    ARG 130           H        ARG 130 -10.493  18.202  -0.992
 2112    HA   ARG 130           HA       ARG 130 -12.368  20.349  -0.446
 2113   1HB   ARG 130          2HB       ARG 130 -10.071  19.316   0.855
 2114   2HB   ARG 130          3HB       ARG 130  -9.659  20.941   0.325
 2115   1HG   ARG 130          2HG       ARG 130 -12.039  21.462   1.388
 2116   2HG   ARG 130          3HG       ARG 130 -11.619  20.040   2.344
 2117   1HD   ARG 130          2HD       ARG 130 -10.619  21.584   3.656
 2118   2HD   ARG 130          3HD       ARG 130  -9.303  21.376   2.501
 2119    HE   ARG 130           HE       ARG 130 -11.309  23.526   2.221
 2120   1HH1  ARG 130          1HH1      ARG 130  -7.987  22.411   2.314
 2121   2HH1  ARG 130          2HH1      ARG 130  -7.319  23.974   1.938
 2122   1HH2  ARG 130          1HH2      ARG 130 -10.434  25.578   1.717
 2123   2HH2  ARG 130          2HH2      ARG 130  -8.712  25.768   1.585
 2124    H    SER 131           H        SER 131 -12.674  20.928  -2.615
 2125    HA   SER 131           HA       SER 131 -10.980  21.325  -4.626
 2126   1HB   SER 131          2HB       SER 131 -13.034  23.457  -4.145
 2127   2HB   SER 131          3HB       SER 131 -12.608  22.634  -5.649
 2128    HG   SER 131           HG       SER 131 -13.457  20.680  -4.512
 2129    H    HIS 132           H        HIS 132  -9.135  22.287  -4.842
 2130    HA   HIS 132           HA       HIS 132  -8.285  24.350  -3.041
 2131   1HB   HIS 132          2HB       HIS 132  -6.950  22.935  -5.348
 2132   2HB   HIS 132          3HB       HIS 132  -6.159  24.220  -4.441
 2133    HD1  HIS 132           HD1      HIS 132  -7.698  20.793  -3.837
 2134    HD2  HIS 132           HD2      HIS 132  -4.883  23.380  -2.198
 2135    HE1  HIS 132           HE1      HIS 132  -6.597  19.508  -1.974
 2136    HE2  HIS 132           HE2      HIS 132  -4.858  21.077  -1.026
 2137    H    HIS 133           H        HIS 133 -10.163  25.727  -3.953
 2138    HA   HIS 133           HA       HIS 133  -9.683  27.017  -6.472
 2139   1HB   HIS 133          2HB       HIS 133 -11.914  26.739  -5.004
 2140   2HB   HIS 133          3HB       HIS 133 -11.424  28.344  -4.468
 2141    HD1  HIS 133           HD1      HIS 133 -11.774  26.570  -7.822
 2142    HD2  HIS 133           HD2      HIS 133 -12.496  30.263  -6.042
 2143    HE1  HIS 133           HE1      HIS 133 -12.774  28.012  -9.625
 2144    HE2  HIS 133           HE2      HIS 133 -13.374  30.174  -8.480
 2145    H    HIS 134           H        HIS 134  -8.366  27.322  -3.402
 2146    HA   HIS 134           HA       HIS 134  -7.702  30.138  -3.596
 2147   1HB   HIS 134          2HB       HIS 134  -7.984  28.911  -1.399
 2148   2HB   HIS 134          3HB       HIS 134  -6.481  28.069  -1.755
 2149    HD1  HIS 134           HD1      HIS 134  -4.595  29.063  -0.511
 2150    HD2  HIS 134           HD2      HIS 134  -7.384  31.937  -1.651
 2151    HE1  HIS 134           HE1      HIS 134  -3.690  31.259   0.315
 2152    HE2  HIS 134           HE2      HIS 134  -5.426  32.973  -0.306
 2153    H    HIS 135           H        HIS 135  -6.716  27.410  -5.153
 2154    HA   HIS 135           HA       HIS 135  -3.888  27.970  -5.273
 2155   1HB   HIS 135          2HB       HIS 135  -5.580  25.774  -5.941
 2156   2HB   HIS 135          3HB       HIS 135  -4.680  26.235  -7.383
 2157    HD1  HIS 135           HD1      HIS 135  -3.931  25.532  -3.717
 2158    HD2  HIS 135           HD2      HIS 135  -2.239  25.077  -7.491
 2159    HE1  HIS 135           HE1      HIS 135  -1.765  24.301  -3.349
 2160    HE2  HIS 135           HE2      HIS 135  -0.690  24.165  -5.626
 2161    H    HIS 136           H        HIS 136  -4.649  30.252  -5.912
 2162    HA   HIS 136           HA       HIS 136  -5.407  30.675  -8.641
 2163   1HB   HIS 136          2HB       HIS 136  -5.855  32.276  -6.758
 2164   2HB   HIS 136          3HB       HIS 136  -4.136  32.643  -6.726
 2165    HD1  HIS 136           HD1      HIS 136  -6.727  32.512  -9.535
 2166    HD2  HIS 136           HD2      HIS 136  -3.747  34.983  -7.996
 2167    HE1  HIS 136           HE1      HIS 136  -6.688  34.547 -11.019
 2168    HE2  HIS 136           HE2      HIS 136  -4.951  36.074 -10.007
 2169    H    HIS 137           H        HIS 137  -2.512  29.971  -7.021
 2170    HA   HIS 137           HA       HIS 137  -1.006  30.432  -9.497
 2171   1HB   HIS 137          2HB       HIS 137  -0.338  32.193  -7.948
 2172   2HB   HIS 137          3HB       HIS 137  -0.063  31.012  -6.676
 2173    HD1  HIS 137           HD1      HIS 137   2.387  31.689  -6.398
 2174    HD2  HIS 137           HD2      HIS 137   1.439  30.381 -10.232
 2175    HE1  HIS 137           HE1      HIS 137   4.593  31.332  -7.564
 2176    HE2  HIS 137           HE2      HIS 137   3.983  30.754  -9.942
  Start of MODEL    8
    1   1H    ALA   1           H1       ALA   1 -24.526  -7.216  13.165
    2   2H    ALA   1           H2       ALA   1 -24.015  -8.812  12.909
    3   3H    ALA   1           H3       ALA   1 -24.218  -8.232  14.488
    4    HA   ALA   1           HA       ALA   1 -21.996  -7.954  12.689
    5   1HB   ALA   1          1HB       ALA   1 -23.055  -5.569  14.194
    6   2HB   ALA   1          2HB       ALA   1 -21.400  -5.696  13.596
    7   3HB   ALA   1          3HB       ALA   1 -22.751  -5.704  12.461
    8    H    ASP   2           H        ASP   2 -21.416  -9.775  13.943
    9    HA   ASP   2           HA       ASP   2 -20.386  -9.063  16.606
   10   1HB   ASP   2          2HB       ASP   2 -22.339 -11.193  15.954
   11   2HB   ASP   2          3HB       ASP   2 -21.056 -11.591  17.090
   12    H    MET   3           H        MET   3 -19.805 -10.287  13.581
   13    HA   MET   3           HA       MET   3 -17.919 -12.336  14.321
   14   1HB   MET   3          2HB       MET   3 -19.270 -11.572  11.980
   15   2HB   MET   3          3HB       MET   3 -17.558 -11.380  11.635
   16   1HG   MET   3          2HG       MET   3 -18.365 -13.588  11.009
   17   2HG   MET   3          3HG       MET   3 -17.139 -13.675  12.271
   18   1HE   MET   3          1HE       MET   3 -20.779 -12.665  12.286
   19   2HE   MET   3          2HE       MET   3 -21.164 -14.252  11.619
   20   3HE   MET   3          3HE       MET   3 -21.602 -13.865  13.284
   21    H    GLY   4           H        GLY   4 -17.692  -9.221  14.853
   22   1HA   GLY   4          1HA       GLY   4 -15.378  -8.249  13.656
   23   2HA   GLY   4          2HA       GLY   4 -15.960  -7.769  15.242
   24    H    GLU   5           H        GLU   5 -15.728 -10.455  16.326
   25    HA   GLU   5           HA       GLU   5 -12.971 -10.348  17.129
   26   1HB   GLU   5          2HB       GLU   5 -14.856 -12.608  17.743
   27   2HB   GLU   5          3HB       GLU   5 -13.509 -12.016  18.702
   28   1HG   GLU   5          2HG       GLU   5 -15.161  -9.830  18.551
   29   2HG   GLU   5          3HG       GLU   5 -16.290 -11.180  18.667
   30    H    LYS   6           H        LYS   6 -14.914 -12.306  14.972
   31    HA   LYS   6           HA       LYS   6 -13.192 -14.492  14.803
   32   1HB   LYS   6          2HB       LYS   6 -15.411 -13.472  13.053
   33   2HB   LYS   6          3HB       LYS   6 -14.503 -14.918  12.630
   34   1HG   LYS   6          2HG       LYS   6 -15.464 -14.923  15.380
   35   2HG   LYS   6          3HG       LYS   6 -16.755 -14.839  14.178
   36   1HD   LYS   6          2HD       LYS   6 -15.504 -16.750  13.005
   37   2HD   LYS   6          3HD       LYS   6 -14.642 -16.941  14.532
   38   1HE   LYS   6          2HE       LYS   6 -16.771 -17.269  15.689
   39   2HE   LYS   6          3HE       LYS   6 -17.632 -17.068  14.163
   40   1HZ   LYS   6          HZ1       LYS   6 -15.566 -19.153  14.536
   41   2HZ   LYS   6          HZ2       LYS   6 -17.197 -19.425  14.926
   42   3HZ   LYS   6          HZ3       LYS   6 -16.753 -19.052  13.329
   43    H    PHE   7           H        PHE   7 -13.711 -11.930  12.335
   44    HA   PHE   7           HA       PHE   7 -11.634 -13.017  10.756
   45   1HB   PHE   7          2HB       PHE   7 -11.824 -10.732   9.512
   46   2HB   PHE   7          3HB       PHE   7 -13.115 -11.914   9.404
   47    HD1  PHE   7           HD1      PHE   7 -12.158  -9.086  11.667
   48    HD2  PHE   7           HD2      PHE   7 -15.212 -11.073   9.470
   49    HE1  PHE   7           HE1      PHE   7 -13.766  -7.357  12.345
   50    HE2  PHE   7           HE2      PHE   7 -16.829  -9.350  10.150
   51    HZ   PHE   7           HZ       PHE   7 -16.104  -7.487  11.587
   52    H    ASP   8           H        ASP   8 -11.692 -10.442  13.107
   53    HA   ASP   8           HA       ASP   8  -9.316  -9.132  12.529
   54   1HB   ASP   8          2HB       ASP   8 -10.682  -8.218  14.256
   55   2HB   ASP   8          3HB       ASP   8 -10.601  -9.701  15.204
   56    H    ALA   9           H        ALA   9  -9.687 -11.831  14.839
   57    HA   ALA   9           HA       ALA   9  -6.983 -12.175  15.387
   58   1HB   ALA   9          1HB       ALA   9  -9.383 -13.386  16.142
   59   2HB   ALA   9          2HB       ALA   9  -8.384 -14.686  15.493
   60   3HB   ALA   9          3HB       ALA   9  -7.778 -13.682  16.808
   61    H    THR  10           H        THR  10  -9.003 -13.803  12.933
   62    HA   THR  10           HA       THR  10  -6.946 -15.508  12.028
   63    HB   THR  10           HB       THR  10  -9.196 -14.656  10.243
   64    HG1  THR  10           HG1      THR  10 -10.408 -15.033  12.013
   65   1HG2  THR  10          1HG2      THR  10  -7.317 -16.862  10.458
   66   2HG2  THR  10          2HG2      THR  10  -8.987 -17.423  10.377
   67   3HG2  THR  10          3HG2      THR  10  -8.344 -16.389   9.103
   68    H    PHE  11           H        PHE  11  -8.131 -12.361  10.817
   69    HA   PHE  11           HA       PHE  11  -6.526 -12.116   8.557
   70   1HB   PHE  11          2HB       PHE  11  -8.347 -10.514   9.705
   71   2HB   PHE  11          3HB       PHE  11  -6.894  -9.694  10.262
   72    HD1  PHE  11           HD1      PHE  11  -5.089  -9.879   8.014
   73    HD2  PHE  11           HD2      PHE  11  -9.299  -9.226   8.054
   74    HE1  PHE  11           HE1      PHE  11  -4.930  -8.707   5.852
   75    HE2  PHE  11           HE2      PHE  11  -9.143  -8.059   5.896
   76    HZ   PHE  11           HZ       PHE  11  -6.960  -7.798   4.792
   77    H    LYS  12           H        LYS  12  -5.829 -11.365  11.915
   78    HA   LYS  12           HA       LYS  12  -3.219 -10.340  11.546
   79   1HB   LYS  12          2HB       LYS  12  -4.907 -10.350  13.599
   80   2HB   LYS  12          3HB       LYS  12  -3.953 -11.753  14.051
   81   1HG   LYS  12          2HG       LYS  12  -2.698 -10.212  15.095
   82   2HG   LYS  12          3HG       LYS  12  -1.977 -10.028  13.493
   83   1HD   LYS  12          2HD       LYS  12  -2.525  -7.855  14.422
   84   2HD   LYS  12          3HD       LYS  12  -3.545  -8.192  13.021
   85   1HE   LYS  12          2HE       LYS  12  -5.026  -9.203  15.094
   86   2HE   LYS  12          3HE       LYS  12  -4.271  -7.786  15.824
   87   1HZ   LYS  12          HZ1       LYS  12  -5.307  -7.264  13.209
   88   2HZ   LYS  12          HZ2       LYS  12  -6.513  -7.785  14.281
   89   3HZ   LYS  12          HZ3       LYS  12  -5.568  -6.434  14.661
   90    H    ALA  13           H        ALA  13  -4.476 -13.577  11.697
   91    HA   ALA  13           HA       ALA  13  -2.000 -14.845  12.380
   92   1HB   ALA  13          1HB       ALA  13  -4.510 -15.980  11.142
   93   2HB   ALA  13          2HB       ALA  13  -3.154 -16.926  11.758
   94   3HB   ALA  13          3HB       ALA  13  -4.112 -15.940  12.862
   95    H    GLN  14           H        GLN  14  -3.803 -14.320   9.383
   96    HA   GLN  14           HA       GLN  14  -1.888 -15.634   7.723
   97   1HB   GLN  14          2HB       GLN  14  -4.189 -13.776   7.151
   98   2HB   GLN  14          3HB       GLN  14  -3.146 -14.390   5.876
   99   1HG   GLN  14          2HG       GLN  14  -3.763 -16.698   7.069
  100   2HG   GLN  14          3HG       GLN  14  -5.207 -15.770   7.472
  101   1HE2  GLN  14          1HE2      GLN  14  -6.500 -14.957   5.774
  102   2HE2  GLN  14          2HE2      GLN  14  -6.455 -15.682   4.204
  103    H    VAL  15           H        VAL  15  -2.675 -12.225   8.296
  104    HA   VAL  15           HA       VAL  15  -0.755 -11.232   6.522
  105    HB   VAL  15           HB       VAL  15  -2.782 -10.157   8.183
  106   1HG1  VAL  15          1HG1      VAL  15  -0.097  -8.898   8.609
  107   2HG1  VAL  15          2HG1      VAL  15  -1.579  -7.941   8.681
  108   3HG1  VAL  15          3HG1      VAL  15  -1.348  -9.290   9.792
  109   1HG2  VAL  15          1HG2      VAL  15  -1.384  -9.564   5.706
  110   2HG2  VAL  15          2HG2      VAL  15  -3.077  -9.329   6.133
  111   3HG2  VAL  15          3HG2      VAL  15  -1.881  -8.107   6.566
  112    H    LYS  16           H        LYS  16  -0.486 -11.937   9.975
  113    HA   LYS  16           HA       LYS  16   1.895 -10.479  10.405
  114   1HB   LYS  16          2HB       LYS  16   0.369 -12.527  11.877
  115   2HB   LYS  16          3HB       LYS  16   2.084 -12.444  12.259
  116   1HG   LYS  16          2HG       LYS  16   1.009  -9.800  12.190
  117   2HG   LYS  16          3HG       LYS  16   0.004 -10.816  13.224
  118   1HD   LYS  16          2HD       LYS  16   2.980 -10.909  13.479
  119   2HD   LYS  16          3HD       LYS  16   2.076  -9.588  14.221
  120   1HE   LYS  16          2HE       LYS  16   1.483 -10.894  15.919
  121   2HE   LYS  16          3HE       LYS  16   0.793 -12.080  14.811
  122   1HZ   LYS  16          HZ1       LYS  16   3.699 -11.942  15.361
  123   2HZ   LYS  16          HZ2       LYS  16   2.647 -12.862  16.320
  124   3HZ   LYS  16          HZ3       LYS  16   2.820 -13.219  14.671
  125    H    ALA  17           H        ALA  17   1.285 -13.610   9.044
  126    HA   ALA  17           HA       ALA  17   3.825 -14.776   9.319
  127   1HB   ALA  17          1HB       ALA  17   1.484 -15.184   7.547
  128   2HB   ALA  17          2HB       ALA  17   3.021 -15.886   7.042
  129   3HB   ALA  17          3HB       ALA  17   2.321 -16.322   8.602
  130    H    ALA  18           H        ALA  18   2.646 -12.274   7.247
  131    HA   ALA  18           HA       ALA  18   4.600 -12.439   5.207
  132   1HB   ALA  18          1HB       ALA  18   2.305 -11.122   5.398
  133   2HB   ALA  18          2HB       ALA  18   3.398  -9.814   5.848
  134   3HB   ALA  18          3HB       ALA  18   3.588 -10.629   4.296
  135    H    LYS  19           H        LYS  19   4.575 -10.906   8.369
  136    HA   LYS  19           HA       LYS  19   6.978  -9.376   7.899
  137   1HB   LYS  19          2HB       LYS  19   5.915  -8.248   9.538
  138   2HB   LYS  19          3HB       LYS  19   4.956  -9.643   9.999
  139   1HG   LYS  19          2HG       LYS  19   6.480 -10.342  11.578
  140   2HG   LYS  19          3HG       LYS  19   7.829  -9.512  10.801
  141   1HD   LYS  19          2HD       LYS  19   7.176  -7.425  11.634
  142   2HD   LYS  19          3HD       LYS  19   5.541  -7.980  11.997
  143   1HE   LYS  19          2HE       LYS  19   6.217  -8.300  14.093
  144   2HE   LYS  19          3HE       LYS  19   7.189  -9.642  13.494
  145   1HZ   LYS  19          HZ1       LYS  19   8.293  -6.914  13.365
  146   2HZ   LYS  19          HZ2       LYS  19   8.282  -7.735  14.853
  147   3HZ   LYS  19          HZ3       LYS  19   9.095  -8.404  13.529
  148    H    ALA  20           H        ALA  20   6.100 -12.520   8.886
  149    HA   ALA  20           HA       ALA  20   8.587 -13.097  10.268
  150   1HB   ALA  20          1HB       ALA  20   5.984 -14.194  10.258
  151   2HB   ALA  20          2HB       ALA  20   7.095 -15.468   9.756
  152   3HB   ALA  20          3HB       ALA  20   7.349 -14.627  11.287
  153    H    ASP  21           H        ASP  21   7.344 -13.387   7.086
  154    HA   ASP  21           HA       ASP  21   8.633 -15.669   6.183
  155   1HB   ASP  21          2HB       ASP  21   6.919 -13.883   5.076
  156   2HB   ASP  21          3HB       ASP  21   8.399 -13.488   4.209
  157    H    MET  22           H        MET  22   9.893 -12.409   6.484
  158    HA   MET  22           HA       MET  22  12.468 -13.396   5.452
  159   1HB   MET  22          2HB       MET  22  12.832 -10.953   4.749
  160   2HB   MET  22          3HB       MET  22  11.741 -11.936   3.782
  161   1HG   MET  22          2HG       MET  22   9.873 -10.942   5.215
  162   2HG   MET  22          3HG       MET  22  11.075  -9.761   5.732
  163   1HE   MET  22          1HE       MET  22  12.558  -8.387   3.841
  164   2HE   MET  22          2HE       MET  22  12.747  -9.831   2.845
  165   3HE   MET  22          3HE       MET  22  12.110  -8.345   2.135
  166    H    VAL  23           H        VAL  23  14.248 -11.648   6.026
  167    HA   VAL  23           HA       VAL  23  14.521 -11.771   8.863
  168    HB   VAL  23           HB       VAL  23  16.281 -10.364   6.843
  169   1HG1  VAL  23          1HG1      VAL  23  16.414 -10.660   9.744
  170   2HG1  VAL  23          2HG1      VAL  23  17.884 -11.171   8.912
  171   3HG1  VAL  23          3HG1      VAL  23  17.259  -9.539   8.676
  172   1HG2  VAL  23          1HG2      VAL  23  15.876 -12.872   6.555
  173   2HG2  VAL  23          2HG2      VAL  23  17.549 -12.323   6.644
  174   3HG2  VAL  23          3HG2      VAL  23  16.787 -13.063   8.052
  175    H    MET  24           H        MET  24  13.507 -10.420  10.158
  176    HA   MET  24           HA       MET  24  12.668  -7.805   9.315
  177   1HB   MET  24          2HB       MET  24  12.327  -9.477  11.764
  178   2HB   MET  24          3HB       MET  24  12.050  -7.744  11.888
  179   1HG   MET  24          2HG       MET  24  10.739  -9.061   9.615
  180   2HG   MET  24          3HG       MET  24  10.168  -9.551  11.209
  181   1HE   MET  24          1HE       MET  24  10.128  -7.531   8.442
  182   2HE   MET  24          2HE       MET  24   8.525  -6.850   8.722
  183   3HE   MET  24          3HE       MET  24   9.957  -5.834   8.886
  184    H    LEU  25           H        LEU  25  14.203  -6.293   9.115
  185    HA   LEU  25           HA       LEU  25  16.160  -6.007  11.293
  186   1HB   LEU  25          2HB       LEU  25  16.411  -5.997   8.423
  187   2HB   LEU  25          3HB       LEU  25  16.947  -4.461   9.074
  188    HG   LEU  25           HG       LEU  25  18.172  -7.145   9.302
  189   1HD1  LEU  25          1HD1      LEU  25  18.930  -4.365   8.720
  190   2HD1  LEU  25          2HD1      LEU  25  20.128  -5.312   9.603
  191   3HD1  LEU  25          3HD1      LEU  25  19.535  -5.877   8.042
  192   1HD2  LEU  25          1HD2      LEU  25  17.714  -5.434  11.633
  193   2HD2  LEU  25          2HD2      LEU  25  18.188  -7.130  11.543
  194   3HD2  LEU  25          3HD2      LEU  25  19.403  -5.864  11.371
  195    H    SER  26           H        SER  26  16.382  -4.077  12.290
  196    HA   SER  26           HA       SER  26  14.239  -2.176  12.028
  197   1HB   SER  26          2HB       SER  26  16.182  -1.080  13.710
  198   2HB   SER  26          3HB       SER  26  14.771  -2.011  14.212
  199    HG   SER  26           HG       SER  26  16.030  -3.894  14.135
  200    HA   PRO  27           HA       PRO  27  15.839   0.513   8.959
  201   1HB   PRO  27          2HB       PRO  27  15.305   2.954  10.260
  202   2HB   PRO  27          3HB       PRO  27  14.233   2.085   9.159
  203   1HG   PRO  27          2HG       PRO  27  14.295   2.085  12.140
  204   2HG   PRO  27          3HG       PRO  27  12.904   2.009  11.042
  205   1HD   PRO  27          2HD       PRO  27  13.732  -0.174  12.301
  206   2HD   PRO  27          3HD       PRO  27  13.226  -0.263  10.601
  207    H    LYS  28           H        LYS  28  16.987   0.892  12.253
  208    HA   LYS  28           HA       LYS  28  19.146   2.660  11.584
  209   1HB   LYS  28          2HB       LYS  28  18.969   0.890  14.017
  210   2HB   LYS  28          3HB       LYS  28  19.851   2.402  13.842
  211   1HG   LYS  28          2HG       LYS  28  17.946   3.691  14.035
  212   2HG   LYS  28          3HG       LYS  28  16.880   2.374  13.543
  213   1HD   LYS  28          2HD       LYS  28  18.278   1.613  15.918
  214   2HD   LYS  28          3HD       LYS  28  17.544   3.200  16.161
  215   1HE   LYS  28          2HE       LYS  28  15.550   1.786  14.901
  216   2HE   LYS  28          3HE       LYS  28  16.299   0.569  15.931
  217   1HZ   LYS  28          HZ1       LYS  28  16.108   2.568  17.653
  218   2HZ   LYS  28          HZ2       LYS  28  14.787   2.952  16.658
  219   3HZ   LYS  28          HZ3       LYS  28  14.867   1.437  17.422
  220    H    ASP  29           H        ASP  29  18.784  -0.809  12.155
  221    HA   ASP  29           HA       ASP  29  21.549  -1.425  11.706
  222   1HB   ASP  29          2HB       ASP  29  19.208  -2.847  12.547
  223   2HB   ASP  29          3HB       ASP  29  19.950  -3.720  11.206
  224    H    ALA  30           H        ALA  30  18.710  -1.111   9.794
  225    HA   ALA  30           HA       ALA  30  19.690  -2.458   7.473
  226   1HB   ALA  30          1HB       ALA  30  17.255  -2.002   8.035
  227   2HB   ALA  30          2HB       ALA  30  17.545  -0.357   7.465
  228   3HB   ALA  30          3HB       ALA  30  17.757  -1.721   6.365
  229    H    TYR  31           H        TYR  31  19.482   0.952   8.471
  230    HA   TYR  31           HA       TYR  31  20.629   1.971   6.091
  231   1HB   TYR  31          HB2       TYR  31  19.336   3.432   7.518
  232   2HB   TYR  31          HB3       TYR  31  20.450   3.176   8.856
  233    HD1  TYR  31           HD1      TYR  31  20.405   4.406   5.340
  234    HD2  TYR  31           HD2      TYR  31  22.154   4.723   9.205
  235    HE1  TYR  31           HE1      TYR  31  21.745   6.310   4.565
  236    HE2  TYR  31           HE2      TYR  31  23.506   6.630   8.442
  237    HH   TYR  31           HH       TYR  31  24.350   7.606   6.423
  238    H    LYS  32           H        LYS  32  21.976   0.748   9.077
  239    HA   LYS  32           HA       LYS  32  24.553   1.780   8.939
  240   1HB   LYS  32          2HB       LYS  32  23.399   0.330  10.763
  241   2HB   LYS  32          3HB       LYS  32  24.051  -1.031   9.861
  242   1HG   LYS  32          2HG       LYS  32  25.547  -0.492  11.647
  243   2HG   LYS  32          3HG       LYS  32  26.313  -0.067  10.117
  244   1HD   LYS  32          2HD       LYS  32  25.172   2.280  10.662
  245   2HD   LYS  32          3HD       LYS  32  25.341   1.677  12.311
  246   1HE   LYS  32          2HE       LYS  32  27.650   1.624  12.195
  247   2HE   LYS  32          3HE       LYS  32  27.661   1.542  10.434
  248   1HZ   LYS  32          HZ1       LYS  32  26.571   3.913  10.729
  249   2HZ   LYS  32          HZ2       LYS  32  27.430   3.868  12.192
  250   3HZ   LYS  32          HZ3       LYS  32  28.255   3.698  10.719
  251    H    LEU  33           H        LEU  33  23.330  -1.288   7.573
  252    HA   LEU  33           HA       LEU  33  25.813  -1.831   6.241
  253   1HB   LEU  33          2HB       LEU  33  24.287  -3.510   4.956
  254   2HB   LEU  33          3HB       LEU  33  24.716  -3.805   6.629
  255    HG   LEU  33           HG       LEU  33  22.378  -2.433   6.918
  256   1HD1  LEU  33          1HD1      LEU  33  22.248  -2.676   4.321
  257   2HD1  LEU  33          2HD1      LEU  33  21.759  -4.330   4.698
  258   3HD1  LEU  33          3HD1      LEU  33  20.814  -2.970   5.312
  259   1HD2  LEU  33          1HD2      LEU  33  23.323  -4.768   7.728
  260   2HD2  LEU  33          2HD2      LEU  33  21.606  -4.371   7.831
  261   3HD2  LEU  33          3HD2      LEU  33  22.204  -5.366   6.501
  262    H    LEU  34           H        LEU  34  22.908  -0.115   5.490
  263    HA   LEU  34           HA       LEU  34  23.100  -0.082   2.673
  264   1HB   LEU  34          2HB       LEU  34  21.647   1.407   4.749
  265   2HB   LEU  34          3HB       LEU  34  21.930   2.303   3.270
  266    HG   LEU  34           HG       LEU  34  20.739  -0.441   3.152
  267   1HD1  LEU  34          1HD1      LEU  34  19.296   2.138   3.745
  268   2HD1  LEU  34          2HD1      LEU  34  18.506   0.667   3.177
  269   3HD1  LEU  34          3HD1      LEU  34  19.333   0.680   4.736
  270   1HD2  LEU  34          1HD2      LEU  34  21.050   1.916   1.387
  271   2HD2  LEU  34          2HD2      LEU  34  21.132   0.196   1.010
  272   3HD2  LEU  34          3HD2      LEU  34  19.565   0.977   1.229
  273    H    GLN  35           H        GLN  35  24.233   2.217   5.134
  274    HA   GLN  35           HA       GLN  35  25.360   3.982   3.201
  275   1HB   GLN  35          2HB       GLN  35  26.275   5.193   5.137
  276   2HB   GLN  35          3HB       GLN  35  24.565   4.839   5.327
  277   1HG   GLN  35          2HG       GLN  35  25.024   3.973   7.303
  278   2HG   GLN  35          3HG       GLN  35  25.908   2.684   6.488
  279   1HE2  GLN  35          1HE2      GLN  35  27.909   2.422   7.144
  280   2HE2  GLN  35          2HE2      GLN  35  28.944   3.654   7.786
  281    H    GLU  36           H        GLU  36  26.541   1.171   4.809
  282    HA   GLU  36           HA       GLU  36  29.308   1.898   4.270
  283   1HB   GLU  36          2HB       GLU  36  29.884   0.477   5.923
  284   2HB   GLU  36          3HB       GLU  36  28.191   0.619   6.367
  285   1HG   GLU  36          2HG       GLU  36  27.788  -1.525   5.935
  286   2HG   GLU  36          3HG       GLU  36  28.661  -1.472   4.403
  287    H    ASN  37           H        ASN  37  26.797  -0.158   3.038
  288    HA   ASN  37           HA       ASN  37  28.696  -1.338   1.118
  289   1HB   ASN  37          2HB       ASN  37  26.313  -2.392   2.513
  290   2HB   ASN  37          3HB       ASN  37  26.425  -2.803   0.805
  291   1HD2  ASN  37          1HD2      ASN  37  27.529  -3.433   3.939
  292   2HD2  ASN  37          2HD2      ASN  37  28.703  -4.645   3.548
  293    HA   PRO  38           HA       PRO  38  26.429   1.398  -1.691
  294   1HB   PRO  38          2HB       PRO  38  28.478   0.641  -3.618
  295   2HB   PRO  38          3HB       PRO  38  28.139   2.228  -2.925
  296   1HG   PRO  38          2HG       PRO  38  30.379   0.818  -2.338
  297   2HG   PRO  38          3HG       PRO  38  29.610   1.927  -1.189
  298   1HD   PRO  38          2HD       PRO  38  29.440  -1.062  -1.342
  299   2HD   PRO  38          3HD       PRO  38  29.617  -0.016   0.085
  300    H    ASP  39           H        ASP  39  26.822  -1.870  -1.574
  301    HA   ASP  39           HA       ASP  39  25.589  -2.398  -4.175
  302   1HB   ASP  39          2HB       ASP  39  27.686  -3.647  -3.235
  303   2HB   ASP  39          3HB       ASP  39  26.510  -4.540  -2.278
  304    H    ILE  40           H        ILE  40  25.000  -2.453  -0.768
  305    HA   ILE  40           HA       ILE  40  22.538  -3.959  -1.001
  306    HB   ILE  40           HB       ILE  40  23.568  -2.360   1.354
  307   1HG1  ILE  40          2HG1      ILE  40  23.761  -5.314   0.706
  308   2HG1  ILE  40          3HG1      ILE  40  25.099  -4.177   0.825
  309   1HG2  ILE  40          1HG2      ILE  40  21.302  -4.327   1.061
  310   2HG2  ILE  40          2HG2      ILE  40  21.951  -3.807   2.616
  311   3HG2  ILE  40          3HG2      ILE  40  21.205  -2.631   1.535
  312   1HD1  ILE  40          1HD1      ILE  40  23.332  -4.619   3.184
  313   2HD1  ILE  40          2HD1      ILE  40  24.579  -5.800   2.780
  314   3HD1  ILE  40          3HD1      ILE  40  25.024  -4.127   3.119
  315    H    THR  41           H        THR  41  20.854  -3.049  -1.893
  316    HA   THR  41           HA       THR  41  20.562  -0.132  -1.751
  317    HB   THR  41           HB       THR  41  18.622  -1.322  -3.483
  318    HG1  THR  41           HG1      THR  41  21.241  -2.361  -3.647
  319   1HG2  THR  41          1HG2      THR  41  19.591   0.967  -3.599
  320   2HG2  THR  41          2HG2      THR  41  21.101   0.254  -4.170
  321   3HG2  THR  41          3HG2      THR  41  19.632   0.103  -5.137
  322    H    LEU  42           H        LEU  42  18.669   0.841  -1.025
  323    HA   LEU  42           HA       LEU  42  16.864  -0.915   0.478
  324   1HB   LEU  42          2HB       LEU  42  17.732   0.927   1.785
  325   2HB   LEU  42          3HB       LEU  42  17.262   2.082   0.553
  326    HG   LEU  42           HG       LEU  42  14.857   1.360   1.020
  327   1HD1  LEU  42          1HD1      LEU  42  16.268  -0.397   2.793
  328   2HD1  LEU  42          2HD1      LEU  42  15.172   0.643   3.703
  329   3HD1  LEU  42          3HD1      LEU  42  14.552  -0.354   2.388
  330   1HD2  LEU  42          1HD2      LEU  42  16.131   3.444   1.879
  331   2HD2  LEU  42          2HD2      LEU  42  14.601   2.999   2.637
  332   3HD2  LEU  42          3HD2      LEU  42  16.126   2.601   3.430
  333    H    ILE  43           H        ILE  43  15.000  -1.449  -0.414
  334    HA   ILE  43           HA       ILE  43  13.949   0.236  -2.580
  335    HB   ILE  43           HB       ILE  43  13.401  -2.659  -1.903
  336   1HG1  ILE  43          2HG1      ILE  43  14.526  -1.353  -4.389
  337   2HG1  ILE  43          3HG1      ILE  43  15.496  -2.121  -3.136
  338   1HG2  ILE  43          1HG2      ILE  43  11.435  -1.093  -2.741
  339   2HG2  ILE  43          2HG2      ILE  43  12.202  -1.374  -4.306
  340   3HG2  ILE  43          3HG2      ILE  43  11.628  -2.740  -3.345
  341   1HD1  ILE  43          1HD1      ILE  43  13.400  -3.562  -4.740
  342   2HD1  ILE  43          2HD1      ILE  43  15.113  -3.522  -5.154
  343   3HD1  ILE  43          3HD1      ILE  43  14.589  -4.268  -3.644
  344    H    ASP  44           H        ASP  44  12.547   1.653  -1.859
  345    HA   ASP  44           HA       ASP  44  10.915   0.930   0.467
  346   1HB   ASP  44          2HB       ASP  44  11.761   2.904   1.171
  347   2HB   ASP  44          3HB       ASP  44  12.165   3.423  -0.459
  348    H    VAL  45           H        VAL  45   8.754   1.048   0.458
  349    HA   VAL  45           HA       VAL  45   7.454   1.714  -2.093
  350    HB   VAL  45           HB       VAL  45   5.711  -0.062  -0.890
  351   1HG1  VAL  45          1HG1      VAL  45   6.461   0.238  -3.310
  352   2HG1  VAL  45          2HG1      VAL  45   7.738  -0.918  -2.930
  353   3HG1  VAL  45          3HG1      VAL  45   6.046  -1.393  -2.785
  354   1HG2  VAL  45          1HG2      VAL  45   8.527  -1.088  -0.561
  355   2HG2  VAL  45          2HG2      VAL  45   7.320  -0.851   0.703
  356   3HG2  VAL  45          3HG2      VAL  45   7.085  -2.103  -0.515
  357    H    ARG  46           H        ARG  46   6.748   3.670  -1.548
  358    HA   ARG  46           HA       ARG  46   4.662   3.823   0.465
  359   1HB   ARG  46          2HB       ARG  46   7.258   4.963   0.832
  360   2HB   ARG  46          3HB       ARG  46   6.108   6.272   0.599
  361   1HG   ARG  46          2HG       ARG  46   6.231   4.229   2.771
  362   2HG   ARG  46          3HG       ARG  46   6.091   5.983   2.884
  363   1HD   ARG  46          2HD       ARG  46   3.822   5.061   1.479
  364   2HD   ARG  46          3HD       ARG  46   4.024   4.007   2.880
  365    HE   ARG  46           HE       ARG  46   4.334   6.517   3.897
  366   1HH1  ARG  46          1HH1      ARG  46   1.795   5.041   1.939
  367   2HH1  ARG  46          2HH1      ARG  46   0.546   6.000   2.660
  368   1HH2  ARG  46          1HH2      ARG  46   2.669   7.729   4.832
  369   2HH2  ARG  46          2HH2      ARG  46   1.023   7.539   4.255
  370    H    ASP  47           H        ASP  47   3.166   5.436   0.059
  371    HA   ASP  47           HA       ASP  47   2.715   5.881  -2.671
  372   1HB   ASP  47          2HB       ASP  47   1.329   7.164  -0.305
  373   2HB   ASP  47          3HB       ASP  47   0.691   7.032  -1.945
  374    HA   PRO  48           HA       PRO  48   5.073   9.250  -3.761
  375   1HB   PRO  48          2HB       PRO  48   3.254  10.551  -5.459
  376   2HB   PRO  48          3HB       PRO  48   4.391   9.277  -5.906
  377   1HG   PRO  48          2HG       PRO  48   1.495   9.085  -5.236
  378   2HG   PRO  48          3HG       PRO  48   2.443   8.158  -6.414
  379   1HD   PRO  48          2HD       PRO  48   1.713   7.075  -4.090
  380   2HD   PRO  48          3HD       PRO  48   3.316   6.747  -4.783
  381    H    ASP  49           H        ASP  49   1.885  10.072  -2.475
  382    HA   ASP  49           HA       ASP  49   2.433  12.863  -2.454
  383   1HB   ASP  49          2HB       ASP  49   0.147  11.433  -2.188
  384   2HB   ASP  49          3HB       ASP  49   0.437  11.931  -0.519
  385    H    GLU  50           H        GLU  50   2.617  10.350   0.069
  386    HA   GLU  50           HA       GLU  50   3.385  12.154   2.117
  387   1HB   GLU  50          2HB       GLU  50   2.579   9.860   2.607
  388   2HB   GLU  50          3HB       GLU  50   4.057   9.209   1.903
  389   1HG   GLU  50          2HG       GLU  50   5.299  10.630   3.611
  390   2HG   GLU  50          3HG       GLU  50   3.741  10.830   4.407
  391    H    LEU  51           H        LEU  51   5.083  10.386  -0.362
  392    HA   LEU  51           HA       LEU  51   7.739  10.780   0.443
  393   1HB   LEU  51          2HB       LEU  51   6.356   9.820  -1.845
  394   2HB   LEU  51          3HB       LEU  51   7.515  11.012  -2.398
  395    HG   LEU  51           HG       LEU  51   9.222   9.677  -0.968
  396   1HD1  LEU  51          1HD1      LEU  51   6.865   8.124  -0.571
  397   2HD1  LEU  51          2HD1      LEU  51   8.037   7.165  -1.475
  398   3HD1  LEU  51          3HD1      LEU  51   8.483   7.871   0.080
  399   1HD2  LEU  51          1HD2      LEU  51   9.018   9.859  -3.493
  400   2HD2  LEU  51          2HD2      LEU  51   9.844   8.436  -2.864
  401   3HD2  LEU  51          3HD2      LEU  51   8.180   8.308  -3.431
  402    H    LYS  52           H        LYS  52   5.457  12.879  -1.215
  403    HA   LYS  52           HA       LYS  52   7.406  14.898  -1.816
  404   1HB   LYS  52          2HB       LYS  52   4.429  14.649  -2.079
  405   2HB   LYS  52          3HB       LYS  52   5.183  16.229  -2.236
  406   1HG   LYS  52          2HG       LYS  52   6.035  15.765  -4.262
  407   2HG   LYS  52          3HG       LYS  52   6.414  14.094  -3.838
  408   1HD   LYS  52          2HD       LYS  52   4.705  14.170  -5.573
  409   2HD   LYS  52          3HD       LYS  52   4.042  13.506  -4.080
  410   1HE   LYS  52          2HE       LYS  52   3.203  15.836  -3.569
  411   2HE   LYS  52          3HE       LYS  52   3.639  16.262  -5.223
  412   1HZ   LYS  52          HZ1       LYS  52   2.188  14.284  -5.873
  413   2HZ   LYS  52          HZ2       LYS  52   1.559  14.373  -4.296
  414   3HZ   LYS  52          HZ3       LYS  52   1.407  15.694  -5.347
  415    H    ALA  53           H        ALA  53   4.808  14.471   0.546
  416    HA   ALA  53           HA       ALA  53   5.240  17.106   1.603
  417   1HB   ALA  53          1HB       ALA  53   3.002  16.000   1.222
  418   2HB   ALA  53          2HB       ALA  53   3.324  15.060   2.679
  419   3HB   ALA  53          3HB       ALA  53   3.221  16.819   2.768
  420    H    MET  54           H        MET  54   5.475  13.809   3.004
  421    HA   MET  54           HA       MET  54   6.495  15.016   5.455
  422   1HB   MET  54          2HB       MET  54   5.788  12.144   4.831
  423   2HB   MET  54          3HB       MET  54   6.284  12.744   6.407
  424   1HG   MET  54          2HG       MET  54   4.237  14.412   5.885
  425   2HG   MET  54          3HG       MET  54   3.705  12.976   5.013
  426   1HE   MET  54          1HE       MET  54   2.013  11.921   5.911
  427   2HE   MET  54          2HE       MET  54   2.971  10.550   6.471
  428   3HE   MET  54          3HE       MET  54   1.788  11.297   7.544
  429    H    GLY  55           H        GLY  55   7.591  12.929   2.850
  430   1HA   GLY  55          1HA       GLY  55   9.978  13.447   2.327
  431   2HA   GLY  55          2HA       GLY  55  10.296  13.082   4.013
  432    H    LYS  56           H        LYS  56  11.760  11.834   2.223
  433    HA   LYS  56           HA       LYS  56  10.926   9.046   2.492
  434   1HB   LYS  56          2HB       LYS  56  11.953   8.705   0.122
  435   2HB   LYS  56          3HB       LYS  56  10.301   9.292   0.253
  436   1HG   LYS  56          2HG       LYS  56  10.831  11.383  -0.500
  437   2HG   LYS  56          3HG       LYS  56  12.499  11.289   0.070
  438   1HD   LYS  56          2HD       LYS  56  12.670   9.395  -1.739
  439   2HD   LYS  56          3HD       LYS  56  11.278  10.224  -2.435
  440   1HE   LYS  56          2HE       LYS  56  13.407  12.043  -1.646
  441   2HE   LYS  56          3HE       LYS  56  13.926  10.863  -2.849
  442   1HZ   LYS  56          HZ1       LYS  56  11.407  12.356  -3.209
  443   2HZ   LYS  56          HZ2       LYS  56  12.886  13.062  -3.629
  444   3HZ   LYS  56          HZ3       LYS  56  12.392  11.621  -4.380
  445    HA   PRO  57           HA       PRO  57  15.056   8.452   3.837
  446   1HB   PRO  57          2HB       PRO  57  15.960   6.252   2.426
  447   2HB   PRO  57          3HB       PRO  57  14.967   6.189   3.886
  448   1HG   PRO  57          2HG       PRO  57  14.154   5.915   1.029
  449   2HG   PRO  57          3HG       PRO  57  13.520   5.088   2.462
  450   1HD   PRO  57          2HD       PRO  57  12.203   7.120   1.254
  451   2HD   PRO  57          3HD       PRO  57  12.115   6.835   3.004
  452    H    ASP  58           H        ASP  58  16.897   9.442   3.449
  453    HA   ASP  58           HA       ASP  58  17.667   9.980   0.660
  454   1HB   ASP  58          2HB       ASP  58  17.192  11.993   1.943
  455   2HB   ASP  58          3HB       ASP  58  18.295  11.480   3.213
  456    H    VAL  59           H        VAL  59  18.629   7.838   0.611
  457    HA   VAL  59           HA       VAL  59  21.252   7.794   1.937
  458    HB   VAL  59           HB       VAL  59  21.201   5.455   2.164
  459   1HG1  VAL  59          1HG1      VAL  59  19.744   6.718   3.747
  460   2HG1  VAL  59          2HG1      VAL  59  18.362   6.270   2.743
  461   3HG1  VAL  59          3HG1      VAL  59  19.310   5.019   3.548
  462   1HG2  VAL  59          1HG2      VAL  59  20.227   5.053  -0.123
  463   2HG2  VAL  59          2HG2      VAL  59  19.676   3.957   1.143
  464   3HG2  VAL  59          3HG2      VAL  59  18.635   5.274   0.602
  465    H    LYS  60           H        LYS  60  22.862   6.440   0.729
  466    HA   LYS  60           HA       LYS  60  23.246   7.611  -1.783
  467   1HB   LYS  60          2HB       LYS  60  24.665   5.171  -0.721
  468   2HB   LYS  60          3HB       LYS  60  25.257   6.300  -1.931
  469   1HG   LYS  60          2HG       LYS  60  26.209   7.500  -0.340
  470   2HG   LYS  60          3HG       LYS  60  24.627   7.794   0.389
  471   1HD   LYS  60          2HD       LYS  60  26.100   6.807   2.030
  472   2HD   LYS  60          3HD       LYS  60  24.833   5.653   1.609
  473   1HE   LYS  60          2HE       LYS  60  26.907   4.469   1.701
  474   2HE   LYS  60          3HE       LYS  60  26.422   4.593   0.011
  475   1HZ   LYS  60          HZ1       LYS  60  28.335   6.466   1.293
  476   2HZ   LYS  60          HZ2       LYS  60  28.817   5.059   0.473
  477   3HZ   LYS  60          HZ3       LYS  60  28.006   6.291  -0.365
  478    H    ASN  61           H        ASN  61  22.184   4.322  -0.932
  479    HA   ASN  61           HA       ASN  61  21.523   3.966  -3.776
  480   1HB   ASN  61          2HB       ASN  61  21.794   1.424  -2.432
  481   2HB   ASN  61          3HB       ASN  61  22.585   2.000  -3.891
  482   1HD2  ASN  61          1HD2      ASN  61  23.112   0.795  -0.921
  483   2HD2  ASN  61          2HD2      ASN  61  24.703   1.407  -0.629
  484    H    TYR  62           H        TYR  62  19.424   4.746  -3.417
  485    HA   TYR  62           HA       TYR  62  17.671   2.798  -2.084
  486   1HB   TYR  62          HB2       TYR  62  17.399   4.492  -0.562
  487   2HB   TYR  62          HB3       TYR  62  17.854   5.740  -1.710
  488    HD1  TYR  62           HD1      TYR  62  15.053   3.262  -1.404
  489    HD2  TYR  62           HD2      TYR  62  16.223   7.291  -2.078
  490    HE1  TYR  62           HE1      TYR  62  12.697   3.893  -1.649
  491    HE2  TYR  62           HE2      TYR  62  13.867   7.942  -2.315
  492    HH   TYR  62           HH       TYR  62  11.267   5.823  -1.483
  493    H    LYS  63           H        LYS  63  15.997   2.100  -3.302
  494    HA   LYS  63           HA       LYS  63  15.409   3.584  -5.777
  495   1HB   LYS  63          2HB       LYS  63  14.777   0.709  -5.787
  496   2HB   LYS  63          3HB       LYS  63  15.441   1.723  -7.055
  497   1HG   LYS  63          2HG       LYS  63  17.625   1.625  -5.811
  498   2HG   LYS  63          3HG       LYS  63  16.903   0.337  -4.841
  499   1HD   LYS  63          2HD       LYS  63  16.347  -0.270  -7.531
  500   2HD   LYS  63          3HD       LYS  63  18.042   0.215  -7.476
  501   1HE   LYS  63          2HE       LYS  63  17.408  -1.528  -5.267
  502   2HE   LYS  63          3HE       LYS  63  16.960  -2.279  -6.798
  503   1HZ   LYS  63          HZ1       LYS  63  19.489  -1.081  -7.084
  504   2HZ   LYS  63          HZ2       LYS  63  19.512  -2.039  -5.683
  505   3HZ   LYS  63          HZ3       LYS  63  19.091  -2.725  -7.174
  506    H    HIS  64           H        HIS  64  13.408   4.376  -5.773
  507    HA   HIS  64           HA       HIS  64  11.382   3.254  -3.997
  508   1HB   HIS  64          2HB       HIS  64  11.675   5.740  -4.272
  509   2HB   HIS  64          3HB       HIS  64  11.143   5.563  -5.940
  510    HD1  HIS  64           HD1      HIS  64   8.765   6.107  -6.243
  511    HD2  HIS  64           HD2      HIS  64   9.519   4.540  -2.466
  512    HE1  HIS  64           HE1      HIS  64   6.561   6.180  -5.018
  513    HE2  HIS  64           HE2      HIS  64   7.085   5.395  -2.690
  514    H    MET  65           H        MET  65  10.116   1.629  -4.709
  515    HA   MET  65           HA       MET  65   9.877   1.332  -7.631
  516   1HB   MET  65          2HB       MET  65  10.581  -0.504  -5.532
  517   2HB   MET  65          3HB       MET  65   9.151  -1.085  -6.376
  518   1HG   MET  65          2HG       MET  65  10.731  -2.030  -7.685
  519   2HG   MET  65          3HG       MET  65  10.612  -0.471  -8.499
  520   1HE   MET  65          1HE       MET  65  12.105   0.778  -9.087
  521   2HE   MET  65          2HE       MET  65  13.413   1.423  -8.095
  522   3HE   MET  65          3HE       MET  65  13.739   0.130  -9.250
  523    H    SER  66           H        SER  66   8.014   2.538  -7.964
  524    HA   SER  66           HA       SER  66   5.607   1.703  -6.535
  525   1HB   SER  66          2HB       SER  66   5.239   3.868  -8.428
  526   2HB   SER  66          3HB       SER  66   4.963   3.849  -6.687
  527    HG   SER  66           HG       SER  66   6.644   5.331  -7.558
  528    H    ARG  67           H        ARG  67   3.896   0.819  -7.521
  529    HA   ARG  67           HA       ARG  67   3.266   0.814 -10.235
  530   1HB   ARG  67          2HB       ARG  67   5.377  -0.917  -9.795
  531   2HB   ARG  67          3HB       ARG  67   3.981  -1.980  -9.672
  532   1HG   ARG  67          2HG       ARG  67   4.614  -2.068 -11.919
  533   2HG   ARG  67          3HG       ARG  67   3.221  -0.987 -11.882
  534   1HD   ARG  67          2HD       ARG  67   5.960   0.168 -11.644
  535   2HD   ARG  67          3HD       ARG  67   5.385  -0.356 -13.227
  536    HE   ARG  67           HE       ARG  67   4.414   1.892 -11.660
  537   1HH1  ARG  67          1HH1      ARG  67   3.962  -0.194 -14.438
  538   2HH1  ARG  67          2HH1      ARG  67   2.788   0.844 -15.191
  539   1HH2  ARG  67          1HH2      ARG  67   2.888   3.263 -12.636
  540   2HH2  ARG  67          2HH2      ARG  67   2.181   2.827 -14.165
  541    H    GLY  68           H        GLY  68   2.230  -2.152  -9.910
  542   1HA   GLY  68          1HA       GLY  68   0.010  -1.486  -8.148
  543   2HA   GLY  68          2HA       GLY  68   0.228  -2.981  -9.066
  544    H    LYS  69           H        LYS  69   2.800  -3.590  -8.401
  545    HA   LYS  69           HA       LYS  69   3.226  -3.407  -5.594
  546   1HB   LYS  69          2HB       LYS  69   1.694  -5.576  -6.306
  547   2HB   LYS  69          3HB       LYS  69   3.318  -6.249  -6.299
  548   1HG   LYS  69          2HG       LYS  69   1.619  -5.794  -4.104
  549   2HG   LYS  69          3HG       LYS  69   3.279  -6.388  -4.090
  550   1HD   LYS  69          2HD       LYS  69   4.106  -4.421  -3.369
  551   2HD   LYS  69          3HD       LYS  69   3.026  -3.476  -4.393
  552   1HE   LYS  69          2HE       LYS  69   1.180  -4.085  -2.765
  553   2HE   LYS  69          3HE       LYS  69   2.450  -4.687  -1.699
  554   1HZ   LYS  69          HZ1       LYS  69   3.387  -2.267  -2.271
  555   2HZ   LYS  69          HZ2       LYS  69   1.725  -1.954  -2.368
  556   3HZ   LYS  69          HZ3       LYS  69   2.392  -2.586  -0.941
  557    H    LEU  70           H        LEU  70   4.646  -2.412  -7.609
  558    HA   LEU  70           HA       LEU  70   6.748  -2.102  -8.334
  559   1HB   LEU  70          2HB       LEU  70   8.265  -2.377  -6.736
  560   2HB   LEU  70          3HB       LEU  70   6.949  -3.056  -5.802
  561    HG   LEU  70           HG       LEU  70   8.103  -5.164  -7.343
  562   1HD1  LEU  70          1HD1      LEU  70  10.035  -3.250  -6.128
  563   2HD1  LEU  70          2HD1      LEU  70  10.352  -4.980  -5.978
  564   3HD1  LEU  70          3HD1      LEU  70  10.189  -4.247  -7.576
  565   1HD2  LEU  70          1HD2      LEU  70   7.064  -4.740  -4.834
  566   2HD2  LEU  70          2HD2      LEU  70   7.802  -6.235  -5.410
  567   3HD2  LEU  70          3HD2      LEU  70   8.767  -5.064  -4.512
  568    H    GLU  71           H        GLU  71   5.283  -5.011  -8.855
  569    HA   GLU  71           HA       GLU  71   7.048  -6.830  -9.676
  570   1HB   GLU  71          2HB       GLU  71   4.916  -6.620 -11.668
  571   2HB   GLU  71          3HB       GLU  71   5.300  -7.926 -10.557
  572   1HG   GLU  71          2HG       GLU  71   3.312  -7.368  -9.674
  573   2HG   GLU  71          3HG       GLU  71   4.278  -6.169  -8.820
  574    HA   PRO  72           HA       PRO  72   7.764  -5.294 -14.136
  575   1HB   PRO  72          2HB       PRO  72   6.550  -2.667 -14.482
  576   2HB   PRO  72          3HB       PRO  72   6.302  -4.143 -15.418
  577   1HG   PRO  72          2HG       PRO  72   4.404  -3.098 -13.799
  578   2HG   PRO  72          3HG       PRO  72   4.554  -4.836 -14.115
  579   1HD   PRO  72          2HD       PRO  72   5.468  -3.253 -11.741
  580   2HD   PRO  72          3HD       PRO  72   4.682  -4.845 -11.800
  581    H    LEU  73           H        LEU  73   7.939  -3.104 -11.478
  582    HA   LEU  73           HA       LEU  73   9.979  -1.453 -12.732
  583   1HB   LEU  73          2HB       LEU  73   8.129  -1.171 -10.552
  584   2HB   LEU  73          3HB       LEU  73   9.754  -0.870  -9.968
  585    HG   LEU  73           HG       LEU  73   8.208   1.057 -10.963
  586   1HD1  LEU  73          1HD1      LEU  73  11.051   0.649 -10.626
  587   2HD1  LEU  73          2HD1      LEU  73  10.697   1.847 -11.871
  588   3HD1  LEU  73          3HD1      LEU  73  10.055   2.051 -10.241
  589   1HD2  LEU  73          1HD2      LEU  73   8.840  -0.462 -13.271
  590   2HD2  LEU  73          2HD2      LEU  73   7.972   1.070 -13.171
  591   3HD2  LEU  73          3HD2      LEU  73   9.724   1.061 -13.371
  592    H    LEU  74           H        LEU  74   9.744  -4.231 -10.765
  593    HA   LEU  74           HA       LEU  74  12.243  -4.000  -9.407
  594   1HB   LEU  74          2HB       LEU  74  11.125  -5.545  -8.244
  595   2HB   LEU  74          3HB       LEU  74  10.035  -5.867  -9.576
  596    HG   LEU  74           HG       LEU  74  12.390  -7.131 -10.327
  597   1HD1  LEU  74          1HD1      LEU  74  12.799  -6.653  -7.716
  598   2HD1  LEU  74          2HD1      LEU  74  11.922  -8.180  -7.612
  599   3HD1  LEU  74          3HD1      LEU  74  13.409  -8.079  -8.557
  600   1HD2  LEU  74          1HD2      LEU  74   9.694  -7.866  -9.404
  601   2HD2  LEU  74          2HD2      LEU  74  10.580  -8.366 -10.845
  602   3HD2  LEU  74          3HD2      LEU  74  10.909  -9.140  -9.295
  603    H    ALA  75           H        ALA  75  11.203  -5.175 -12.476
  604    HA   ALA  75           HA       ALA  75  13.710  -6.471 -13.127
  605   1HB   ALA  75          1HB       ALA  75  11.402  -7.036 -14.106
  606   2HB   ALA  75          2HB       ALA  75  11.648  -5.622 -15.133
  607   3HB   ALA  75          3HB       ALA  75  12.779  -6.973 -15.206
  608    H    LYS  76           H        LYS  76  12.232  -3.359 -13.363
  609    HA   LYS  76           HA       LYS  76  13.983  -2.270 -15.325
  610   1HB   LYS  76          2HB       LYS  76  12.071  -0.999 -13.371
  611   2HB   LYS  76          3HB       LYS  76  12.992  -0.080 -14.551
  612   1HG   LYS  76          2HG       LYS  76  11.565  -2.296 -15.759
  613   2HG   LYS  76          3HG       LYS  76  10.492  -1.178 -14.911
  614   1HD   LYS  76          2HD       LYS  76  10.598  -0.221 -17.011
  615   2HD   LYS  76          3HD       LYS  76  11.874   0.650 -16.157
  616   1HE   LYS  76          2HE       LYS  76  13.525  -0.303 -17.375
  617   2HE   LYS  76          3HE       LYS  76  12.690  -1.852 -17.487
  618   1HZ   LYS  76          HZ1       LYS  76  11.134  -0.653 -19.076
  619   2HZ   LYS  76          HZ2       LYS  76  12.314   0.565 -19.149
  620   3HZ   LYS  76          HZ3       LYS  76  12.690  -1.015 -19.646
  621    H    SER  77           H        SER  77  14.286  -2.789 -11.944
  622    HA   SER  77           HA       SER  77  16.116  -0.618 -11.494
  623   1HB   SER  77          2HB       SER  77  16.387  -2.617  -9.484
  624   2HB   SER  77          3HB       SER  77  15.565  -1.060  -9.368
  625    HG   SER  77           HG       SER  77  13.672  -2.036 -10.068
  626    H    GLY  78           H        GLY  78  16.335  -4.103 -12.028
  627   1HA   GLY  78          1HA       GLY  78  18.160  -5.109 -13.184
  628   2HA   GLY  78          2HA       GLY  78  19.171  -3.751 -12.705
  629    H    LEU  79           H        LEU  79  17.096  -6.074 -10.998
  630    HA   LEU  79           HA       LEU  79  19.133  -6.299  -8.926
  631   1HB   LEU  79          2HB       LEU  79  16.240  -7.057  -9.125
  632   2HB   LEU  79          3HB       LEU  79  17.251  -7.744  -7.867
  633    HG   LEU  79           HG       LEU  79  17.167  -4.777  -8.205
  634   1HD1  LEU  79          1HD1      LEU  79  15.085  -6.414  -6.772
  635   2HD1  LEU  79          2HD1      LEU  79  15.269  -4.664  -6.661
  636   3HD1  LEU  79          3HD1      LEU  79  14.830  -5.408  -8.198
  637   1HD2  LEU  79          1HD2      LEU  79  18.192  -6.697  -6.314
  638   2HD2  LEU  79          2HD2      LEU  79  18.510  -4.966  -6.448
  639   3HD2  LEU  79          3HD2      LEU  79  17.118  -5.539  -5.526
  640    H    ASP  80           H        ASP  80  20.089  -8.234  -8.318
  641    HA   ASP  80           HA       ASP  80  19.661 -10.514 -10.123
  642   1HB   ASP  80          2HB       ASP  80  22.030  -8.937  -9.835
  643   2HB   ASP  80          3HB       ASP  80  22.352 -10.539  -9.176
  644    HA   PRO  81           HA       PRO  81  19.079 -12.934  -6.555
  645   1HB   PRO  81          2HB       PRO  81  20.269 -15.303  -7.167
  646   2HB   PRO  81          3HB       PRO  81  18.764 -14.746  -7.918
  647   1HG   PRO  81          2HG       PRO  81  21.575 -14.576  -8.956
  648   2HG   PRO  81          3HG       PRO  81  20.098 -15.074  -9.806
  649   1HD   PRO  81          2HD       PRO  81  21.114 -12.610 -10.095
  650   2HD   PRO  81          3HD       PRO  81  19.361 -12.894 -10.065
  651    H    GLU  82           H        GLU  82  22.066 -11.663  -6.983
  652    HA   GLU  82           HA       GLU  82  23.164 -13.082  -4.661
  653   1HB   GLU  82          2HB       GLU  82  25.389 -12.222  -5.563
  654   2HB   GLU  82          3HB       GLU  82  24.612 -13.512  -6.472
  655   1HG   GLU  82          2HG       GLU  82  24.834 -12.269  -8.283
  656   2HG   GLU  82          3HG       GLU  82  23.633 -11.174  -7.606
  657    H    LYS  83           H        LYS  83  21.687 -10.311  -5.617
  658    HA   LYS  83           HA       LYS  83  23.357  -8.441  -4.184
  659   1HB   LYS  83          2HB       LYS  83  20.717  -8.086  -5.608
  660   2HB   LYS  83          3HB       LYS  83  21.637  -6.777  -4.879
  661   1HG   LYS  83          2HG       LYS  83  23.068  -8.482  -6.824
  662   2HG   LYS  83          3HG       LYS  83  21.811  -7.420  -7.462
  663   1HD   LYS  83          2HD       LYS  83  22.943  -5.513  -6.894
  664   2HD   LYS  83          3HD       LYS  83  23.771  -6.280  -5.539
  665   1HE   LYS  83          2HE       LYS  83  24.441  -7.358  -8.188
  666   2HE   LYS  83          3HE       LYS  83  24.934  -5.688  -7.914
  667   1HZ   LYS  83          HZ1       LYS  83  25.864  -6.629  -5.713
  668   2HZ   LYS  83          HZ2       LYS  83  25.784  -8.135  -6.505
  669   3HZ   LYS  83          HZ3       LYS  83  26.731  -6.879  -7.149
  670    HA   PRO  84           HA       PRO  84  20.845  -8.742  -0.496
  671   1HB   PRO  84          2HB       PRO  84  22.383  -7.008   0.974
  672   2HB   PRO  84          3HB       PRO  84  22.776  -8.708   0.721
  673   1HG   PRO  84          2HG       PRO  84  24.136  -6.372  -0.295
  674   2HG   PRO  84          3HG       PRO  84  24.612  -8.072  -0.429
  675   1HD   PRO  84          2HD       PRO  84  23.285  -6.342  -2.393
  676   2HD   PRO  84          3HD       PRO  84  24.130  -7.886  -2.633
  677    H    VAL  85           H        VAL  85  18.978  -7.689  -0.228
  678    HA   VAL  85           HA       VAL  85  18.955  -4.760  -0.504
  679    HB   VAL  85           HB       VAL  85  16.512  -5.344  -1.471
  680   1HG1  VAL  85          1HG1      VAL  85  18.626  -4.026  -2.378
  681   2HG1  VAL  85          2HG1      VAL  85  18.690  -5.405  -3.475
  682   3HG1  VAL  85          3HG1      VAL  85  17.242  -4.403  -3.403
  683   1HG2  VAL  85          1HG2      VAL  85  18.263  -7.673  -2.132
  684   2HG2  VAL  85          2HG2      VAL  85  16.558  -7.644  -1.682
  685   3HG2  VAL  85          3HG2      VAL  85  17.053  -7.123  -3.291
  686    H    VAL  86           H        VAL  86  17.348  -3.672   0.636
  687    HA   VAL  86           HA       VAL  86  15.825  -5.299   2.544
  688    HB   VAL  86           HB       VAL  86  17.475  -4.341   3.925
  689   1HG1  VAL  86          1HG1      VAL  86  18.323  -2.763   2.189
  690   2HG1  VAL  86          2HG1      VAL  86  17.047  -1.642   2.664
  691   3HG1  VAL  86          3HG1      VAL  86  18.290  -2.108   3.826
  692   1HG2  VAL  86          1HG2      VAL  86  15.029  -2.583   3.994
  693   2HG2  VAL  86          2HG2      VAL  86  15.346  -4.037   4.944
  694   3HG2  VAL  86          3HG2      VAL  86  16.282  -2.570   5.238
  695    H    VAL  87           H        VAL  87  13.722  -4.664   2.860
  696    HA   VAL  87           HA       VAL  87  12.738  -2.570   1.036
  697    HB   VAL  87           HB       VAL  87  10.494  -3.720   1.344
  698   1HG1  VAL  87          1HG1      VAL  87  12.827  -4.973  -0.049
  699   2HG1  VAL  87          2HG1      VAL  87  11.234  -5.729  -0.116
  700   3HG1  VAL  87          3HG1      VAL  87  11.459  -4.089  -0.728
  701   1HG2  VAL  87          1HG2      VAL  87  11.871  -5.152   3.290
  702   2HG2  VAL  87          2HG2      VAL  87  10.251  -5.484   2.678
  703   3HG2  VAL  87          3HG2      VAL  87  11.647  -6.294   1.967
  704    H    PHE  88           H        PHE  88  11.681  -0.845   1.841
  705    HA   PHE  88           HA       PHE  88  11.452  -0.739   4.770
  706   1HB   PHE  88          2HB       PHE  88  13.236   0.647   3.735
  707   2HB   PHE  88          3HB       PHE  88  12.004   1.523   2.836
  708    HD1  PHE  88           HD1      PHE  88  12.049   0.430   6.400
  709    HD2  PHE  88           HD2      PHE  88  12.062   3.687   3.656
  710    HE1  PHE  88           HE1      PHE  88  11.763   1.999   8.264
  711    HE2  PHE  88           HE2      PHE  88  11.771   5.256   5.519
  712    HZ   PHE  88           HZ       PHE  88  11.622   4.413   7.825
  713    H    CYS  89           H        CYS  89   9.683  -0.019   5.748
  714    HA   CYS  89           HA       CYS  89   7.674   0.949   6.149
  715   1HB   CYS  89          2HB       CYS  89   8.316   2.330   3.890
  716   2HB   CYS  89          3HB       CYS  89   6.840   1.510   3.387
  717    H    LYS  90           H        LYS  90   6.588  -0.752   6.844
  718    HA   LYS  90           HA       LYS  90   5.094  -2.295   4.827
  719   1HB   LYS  90          2HB       LYS  90   5.169  -4.201   6.508
  720   2HB   LYS  90          3HB       LYS  90   6.670  -3.839   5.667
  721   1HG   LYS  90          2HG       LYS  90   7.597  -3.887   7.692
  722   2HG   LYS  90          3HG       LYS  90   6.885  -2.286   7.902
  723   1HD   LYS  90          2HD       LYS  90   5.493  -3.027   9.479
  724   2HD   LYS  90          3HD       LYS  90   4.964  -4.371   8.466
  725   1HE   LYS  90          2HE       LYS  90   5.899  -5.381  10.358
  726   2HE   LYS  90          3HE       LYS  90   7.148  -5.507   9.120
  727   1HZ   LYS  90          HZ1       LYS  90   7.054  -3.382  11.194
  728   2HZ   LYS  90          HZ2       LYS  90   7.985  -4.797  11.322
  729   3HZ   LYS  90          HZ3       LYS  90   8.309  -3.674  10.089
  730    H    THR  91           H        THR  91   4.659   0.062   6.862
  731    HA   THR  91           HA       THR  91   2.459  -1.058   8.400
  732    HB   THR  91           HB       THR  91   2.676   1.662   8.989
  733    HG1  THR  91           HG1      THR  91   4.725   2.189   8.759
  734   1HG2  THR  91          1HG2      THR  91   3.355  -0.920  10.242
  735   2HG2  THR  91          2HG2      THR  91   4.183   0.485  10.910
  736   3HG2  THR  91          3HG2      THR  91   2.421   0.437  10.878
  737    H    ALA  92           H        ALA  92   2.428  -0.320   5.411
  738    HA   ALA  92           HA       ALA  92  -0.286   0.520   5.359
  739   1HB   ALA  92          1HB       ALA  92   1.776   2.500   4.396
  740   2HB   ALA  92          2HB       ALA  92   0.059   2.585   4.000
  741   3HB   ALA  92          3HB       ALA  92   0.586   2.734   5.677
  742    H    ALA  93           H        ALA  93   2.397   1.060   3.079
  743    HA   ALA  93           HA       ALA  93   1.010  -0.222   0.936
  744   1HB   ALA  93          1HB       ALA  93   2.963   1.590   0.966
  745   2HB   ALA  93          2HB       ALA  93   3.944   0.139   0.766
  746   3HB   ALA  93          3HB       ALA  93   2.684   0.519  -0.406
  747    H    ARG  94           H        ARG  94   3.218  -1.192   3.383
  748    HA   ARG  94           HA       ARG  94   3.953  -3.187   4.127
  749   1HB   ARG  94          2HB       ARG  94   1.775  -4.103   2.284
  750   2HB   ARG  94          3HB       ARG  94   2.835  -5.277   3.051
  751   1HG   ARG  94          2HG       ARG  94   1.642  -3.257   4.835
  752   2HG   ARG  94          3HG       ARG  94   0.527  -4.422   4.119
  753   1HD   ARG  94          2HD       ARG  94   1.497  -6.210   5.193
  754   2HD   ARG  94          3HD       ARG  94   3.060  -5.408   5.346
  755    HE   ARG  94           HE       ARG  94   2.134  -4.091   7.152
  756   1HH1  ARG  94          1HH1      ARG  94   0.295  -6.897   6.165
  757   2HH1  ARG  94          2HH1      ARG  94  -0.610  -6.987   7.638
  758   1HH2  ARG  94          1HH2      ARG  94   0.930  -4.213   9.116
  759   2HH2  ARG  94          2HH2      ARG  94  -0.282  -5.454   9.303
  760    H    ALA  95           H        ALA  95   6.021  -2.921   3.443
  761    HA   ALA  95           HA       ALA  95   6.990  -3.495   0.850
  762   1HB   ALA  95          1HB       ALA  95   8.069  -2.177   2.828
  763   2HB   ALA  95          2HB       ALA  95   8.705  -3.758   3.281
  764   3HB   ALA  95          3HB       ALA  95   9.093  -3.071   1.704
  765    H    ALA  96           H        ALA  96   5.801  -5.513   3.226
  766    HA   ALA  96           HA       ALA  96   7.465  -7.750   3.141
  767   1HB   ALA  96          1HB       ALA  96   5.442  -7.257   4.653
  768   2HB   ALA  96          2HB       ALA  96   4.489  -7.992   3.363
  769   3HB   ALA  96          3HB       ALA  96   5.748  -8.925   4.173
  770    H    LEU  97           H        LEU  97   4.955  -6.663   0.932
  771    HA   LEU  97           HA       LEU  97   4.822  -9.049  -0.609
  772   1HB   LEU  97          2HB       LEU  97   3.824  -6.295  -0.848
  773   2HB   LEU  97          3HB       LEU  97   4.162  -7.079  -2.385
  774    HG   LEU  97           HG       LEU  97   1.811  -7.318  -1.725
  775   1HD1  LEU  97          1HD1      LEU  97   2.832  -9.036  -3.112
  776   2HD1  LEU  97          2HD1      LEU  97   3.344  -9.910  -1.669
  777   3HD1  LEU  97          3HD1      LEU  97   1.627  -9.732  -2.029
  778   1HD2  LEU  97          1HD2      LEU  97   3.040  -8.396   0.756
  779   2HD2  LEU  97          2HD2      LEU  97   1.615  -7.379   0.550
  780   3HD2  LEU  97          3HD2      LEU  97   1.524  -9.105   0.202
  781    H    ALA  98           H        ALA  98   6.920  -6.276  -0.602
  782    HA   ALA  98           HA       ALA  98   8.007  -6.688  -3.194
  783   1HB   ALA  98          1HB       ALA  98   8.898  -5.006  -0.862
  784   2HB   ALA  98          2HB       ALA  98   9.706  -5.008  -2.429
  785   3HB   ALA  98          3HB       ALA  98   8.028  -4.482  -2.303
  786    H    GLY  99           H        GLY  99   9.052  -7.486   0.071
  787   1HA   GLY  99          1HA       GLY  99  11.573  -8.500  -0.960
  788   2HA   GLY  99          2HA       GLY  99  11.155  -8.267   0.729
  789    H    LYS 100           H        LYS 100   8.776  -9.795   0.798
  790    HA   LYS 100           HA       LYS 100   9.934 -12.275   1.363
  791   1HB   LYS 100          2HB       LYS 100   7.904 -12.883   2.262
  792   2HB   LYS 100          3HB       LYS 100   7.745 -11.132   2.259
  793   1HG   LYS 100          2HG       LYS 100   6.100 -11.149   0.718
  794   2HG   LYS 100          3HG       LYS 100   6.793 -12.509  -0.166
  795   1HD   LYS 100          2HD       LYS 100   5.932 -13.378   2.426
  796   2HD   LYS 100          3HD       LYS 100   4.613 -12.532   1.614
  797   1HE   LYS 100          2HE       LYS 100   4.226 -14.369   0.426
  798   2HE   LYS 100          3HE       LYS 100   5.813 -14.180  -0.322
  799   1HZ   LYS 100          HZ1       LYS 100   6.675 -15.368   1.746
  800   2HZ   LYS 100          HZ2       LYS 100   5.060 -15.822   2.015
  801   3HZ   LYS 100          HZ3       LYS 100   5.850 -16.302   0.591
  802    H    THR 101           H        THR 101   8.504 -11.076  -1.527
  803    HA   THR 101           HA       THR 101   7.927 -13.541  -2.803
  804    HB   THR 101           HB       THR 101   8.351 -11.765  -4.786
  805    HG1  THR 101           HG1      THR 101   7.344  -9.823  -3.360
  806   1HG2  THR 101          1HG2      THR 101   5.981 -12.064  -2.958
  807   2HG2  THR 101          2HG2      THR 101   5.935 -11.040  -4.393
  808   3HG2  THR 101          3HG2      THR 101   6.221 -12.774  -4.553
  809    H    LEU 102           H        LEU 102  10.553 -11.174  -3.010
  810    HA   LEU 102           HA       LEU 102  12.022 -12.362  -5.009
  811   1HB   LEU 102          2HB       LEU 102  12.806 -10.551  -2.750
  812   2HB   LEU 102          3HB       LEU 102  13.996 -11.118  -3.905
  813    HG   LEU 102           HG       LEU 102  11.563  -9.440  -4.496
  814   1HD1  LEU 102          1HD1      LEU 102  14.018  -8.663  -3.590
  815   2HD1  LEU 102          2HD1      LEU 102  14.210  -8.533  -5.338
  816   3HD1  LEU 102          3HD1      LEU 102  12.912  -7.658  -4.524
  817   1HD2  LEU 102          1HD2      LEU 102  13.372 -11.003  -6.262
  818   2HD2  LEU 102          2HD2      LEU 102  11.646 -10.670  -6.414
  819   3HD2  LEU 102          3HD2      LEU 102  12.824  -9.419  -6.812
  820    H    ARG 103           H        ARG 103  12.267 -12.903  -1.511
  821    HA   ARG 103           HA       ARG 103  14.487 -14.681  -1.697
  822   1HB   ARG 103          2HB       ARG 103  13.545 -15.441   0.626
  823   2HB   ARG 103          3HB       ARG 103  14.291 -13.860   0.441
  824   1HG   ARG 103          2HG       ARG 103  12.334 -12.750   0.724
  825   2HG   ARG 103          3HG       ARG 103  11.361 -14.052   0.043
  826   1HD   ARG 103          2HD       ARG 103  12.774 -14.620   2.566
  827   2HD   ARG 103          3HD       ARG 103  11.440 -13.476   2.647
  828    HE   ARG 103           HE       ARG 103   9.949 -15.178   1.984
  829   1HH1  ARG 103          1HH1      ARG 103  13.239 -16.340   2.421
  830   2HH1  ARG 103          2HH1      ARG 103  12.759 -18.011   2.508
  831   1HH2  ARG 103          1HH2      ARG 103   9.335 -17.357   2.105
  832   2HH2  ARG 103          2HH2      ARG 103  10.543 -18.582   2.335
  833    H    GLU 104           H        GLU 104  11.083 -15.023  -2.101
  834    HA   GLU 104           HA       GLU 104  11.013 -17.892  -1.897
  835   1HB   GLU 104          2HB       GLU 104   9.088 -15.747  -2.656
  836   2HB   GLU 104          3HB       GLU 104   8.759 -17.384  -3.207
  837   1HG   GLU 104          2HG       GLU 104   9.032 -18.089  -0.786
  838   2HG   GLU 104          3HG       GLU 104   8.968 -16.372  -0.395
  839    H    TYR 105           H        TYR 105  12.229 -15.782  -4.179
  840    HA   TYR 105           HA       TYR 105  11.812 -17.718  -6.355
  841   1HB   TYR 105          HB2       TYR 105  12.807 -14.869  -6.605
  842   2HB   TYR 105          HB3       TYR 105  12.418 -15.970  -7.924
  843    HD1  TYR 105           HD1      TYR 105   9.858 -17.105  -6.758
  844    HD2  TYR 105           HD2      TYR 105  11.291 -13.114  -7.081
  845    HE1  TYR 105           HE1      TYR 105   7.543 -16.279  -6.747
  846    HE2  TYR 105           HE2      TYR 105   8.979 -12.279  -7.069
  847    HH   TYR 105           HH       TYR 105   6.443 -13.862  -7.763
  848    H    GLY 106           H        GLY 106  14.226 -15.797  -4.619
  849   1HA   GLY 106          1HA       GLY 106  16.141 -17.459  -4.077
  850   2HA   GLY 106          2HA       GLY 106  16.349 -17.439  -5.822
  851    H    PHE 107           H        PHE 107  16.543 -15.525  -2.888
  852    HA   PHE 107           HA       PHE 107  18.378 -13.723  -4.310
  853   1HB   PHE 107          2HB       PHE 107  15.981 -13.057  -2.775
  854   2HB   PHE 107          3HB       PHE 107  17.413 -12.192  -2.222
  855    HD1  PHE 107           HD1      PHE 107  15.659 -13.089  -5.380
  856    HD2  PHE 107           HD2      PHE 107  17.963 -10.211  -3.255
  857    HE1  PHE 107           HE1      PHE 107  15.434 -11.529  -7.263
  858    HE2  PHE 107           HE2      PHE 107  17.743  -8.642  -5.135
  859    HZ   PHE 107           HZ       PHE 107  16.478  -9.298  -7.144
  860    H    LYS 108           H        LYS 108  20.021 -12.766  -2.983
  861    HA   LYS 108           HA       LYS 108  21.249 -14.685  -1.317
  862   1HB   LYS 108          2HB       LYS 108  22.066 -12.445  -2.740
  863   2HB   LYS 108          3HB       LYS 108  22.351 -12.003  -1.063
  864   1HG   LYS 108          2HG       LYS 108  23.291 -14.665  -1.505
  865   2HG   LYS 108          3HG       LYS 108  23.955 -13.590  -2.739
  866   1HD   LYS 108          2HD       LYS 108  24.034 -12.346  -0.137
  867   2HD   LYS 108          3HD       LYS 108  24.851 -13.909  -0.110
  868   1HE   LYS 108          2HE       LYS 108  26.076 -13.149  -2.194
  869   2HE   LYS 108          3HE       LYS 108  25.430 -11.540  -1.873
  870   1HZ   LYS 108          HZ1       LYS 108  26.482 -11.704   0.365
  871   2HZ   LYS 108          HZ2       LYS 108  27.246 -13.128  -0.144
  872   3HZ   LYS 108          HZ3       LYS 108  27.586 -11.661  -0.923
  873    H    THR 109           H        THR 109  20.578 -11.307  -0.443
  874    HA   THR 109           HA       THR 109  19.684 -12.225   2.200
  875    HB   THR 109           HB       THR 109  21.232  -9.752   2.314
  876    HG1  THR 109           HG1      THR 109  23.261 -11.119   2.172
  877   1HG2  THR 109          1HG2      THR 109  21.106 -12.359   3.792
  878   2HG2  THR 109          2HG2      THR 109  22.408 -11.212   4.105
  879   3HG2  THR 109          3HG2      THR 109  20.730 -10.734   4.369
  880    H    ILE 110           H        ILE 110  17.659 -11.504   2.390
  881    HA   ILE 110           HA       ILE 110  17.110  -8.763   1.491
  882    HB   ILE 110           HB       ILE 110  16.079 -10.615   0.096
  883   1HG1  ILE 110          2HG1      ILE 110  13.782  -9.058   1.056
  884   2HG1  ILE 110          3HG1      ILE 110  15.215  -8.097   0.702
  885   1HG2  ILE 110          1HG2      ILE 110  15.299 -11.698   2.452
  886   2HG2  ILE 110          2HG2      ILE 110  13.825 -10.868   1.954
  887   3HG2  ILE 110          3HG2      ILE 110  14.567 -12.063   0.892
  888   1HD1  ILE 110          1HD1      ILE 110  14.381 -10.110  -1.305
  889   2HD1  ILE 110          2HD1      ILE 110  13.399  -8.655  -1.130
  890   3HD1  ILE 110          3HD1      ILE 110  15.112  -8.520  -1.525
  891    H    TYR 111           H        TYR 111  16.318  -7.396   2.940
  892    HA   TYR 111           HA       TYR 111  15.418  -8.498   5.527
  893   1HB   TYR 111          HB2       TYR 111  16.489  -5.712   5.270
  894   2HB   TYR 111          HB3       TYR 111  16.481  -6.773   6.669
  895    HD1  TYR 111           HD1      TYR 111  18.178  -6.071   3.452
  896    HD2  TYR 111           HD2      TYR 111  18.328  -8.191   7.144
  897    HE1  TYR 111           HE1      TYR 111  20.534  -6.635   3.023
  898    HE2  TYR 111           HE2      TYR 111  20.683  -8.761   6.724
  899    HH   TYR 111           HH       TYR 111  22.554  -8.030   5.455
  900    H    ASN 112           H        ASN 112  13.704  -7.438   6.604
  901    HA   ASN 112           HA       ASN 112  12.174  -5.526   4.959
  902   1HB   ASN 112          2HB       ASN 112  11.178  -7.910   5.375
  903   2HB   ASN 112          3HB       ASN 112  10.869  -7.310   7.000
  904   1HD2  ASN 112          1HD2      ASN 112   9.459  -7.817   4.158
  905   2HD2  ASN 112          2HD2      ASN 112   8.265  -6.562   4.165
  906    H    SER 113           H        SER 113  11.331  -3.762   6.056
  907    HA   SER 113           HA       SER 113  12.924  -3.046   8.301
  908   1HB   SER 113          2HB       SER 113  11.968  -0.838   8.016
  909   2HB   SER 113          3HB       SER 113  12.368  -1.508   6.432
  910    HG   SER 113           HG       SER 113   9.830  -2.104   7.279
  911    H    GLU 114           H        GLU 114  12.424  -2.808  10.349
  912    HA   GLU 114           HA       GLU 114   9.757  -3.550  11.290
  913   1HB   GLU 114          2HB       GLU 114  12.368  -3.761  12.405
  914   2HB   GLU 114          3HB       GLU 114  11.454  -2.647  13.414
  915   1HG   GLU 114          2HG       GLU 114  10.949  -5.532  12.846
  916   2HG   GLU 114          3HG       GLU 114  11.025  -4.693  14.394
  917    H    GLY 115           H        GLY 115   8.332  -2.060  12.078
  918   1HA   GLY 115          1HA       GLY 115   7.565   0.060  12.724
  919   2HA   GLY 115          2HA       GLY 115   9.149   0.721  12.339
  920    H    GLY 116           H        GLY 116   8.973   2.115  10.767
  921   1HA   GLY 116          1HA       GLY 116   8.241   1.408   8.156
  922   2HA   GLY 116          2HA       GLY 116   6.893   2.273   8.887
  923    H    MET 117           H        MET 117   7.282   3.897   7.220
  924    HA   MET 117           HA       MET 117   9.654   5.373   6.965
  925   1HB   MET 117          2HB       MET 117   7.252   5.394   5.697
  926   2HB   MET 117          3HB       MET 117   7.123   6.867   6.646
  927   1HG   MET 117          2HG       MET 117   9.417   6.245   4.802
  928   2HG   MET 117          3HG       MET 117   8.001   7.188   4.343
  929   1HE   MET 117          1HE       MET 117  11.088   7.775   4.241
  930   2HE   MET 117          2HE       MET 117  11.603   9.139   5.233
  931   3HE   MET 117          3HE       MET 117  11.628   7.506   5.899
  932    H    ASP 118           H        ASP 118   6.998   5.602   9.228
  933    HA   ASP 118           HA       ASP 118   7.551   8.113  10.333
  934   1HB   ASP 118          2HB       ASP 118   5.914   7.624  11.826
  935   2HB   ASP 118          3HB       ASP 118   5.609   6.279  10.735
  936    H    LYS 119           H        LYS 119   8.993   4.945  10.918
  937    HA   LYS 119           HA       LYS 119  10.406   5.742  13.257
  938   1HB   LYS 119          2HB       LYS 119  10.078   3.345  11.661
  939   2HB   LYS 119          3HB       LYS 119  11.757   3.574  12.130
  940   1HG   LYS 119          2HG       LYS 119  10.872   2.290  13.846
  941   2HG   LYS 119          3HG       LYS 119  10.842   3.930  14.498
  942   1HD   LYS 119          2HD       LYS 119   8.419   3.845  13.321
  943   2HD   LYS 119          3HD       LYS 119   8.618   2.142  13.750
  944   1HE   LYS 119          2HE       LYS 119   7.783   2.788  15.733
  945   2HE   LYS 119          3HE       LYS 119   9.433   3.323  16.039
  946   1HZ   LYS 119          HZ1       LYS 119   7.672   5.213  14.685
  947   2HZ   LYS 119          HZ2       LYS 119   7.339   4.900  16.318
  948   3HZ   LYS 119          HZ3       LYS 119   8.867   5.488  15.863
  949    H    TRP 120           H        TRP 120  11.070   5.775   9.823
  950    HA   TRP 120           HA       TRP 120  13.863   6.145   9.962
  951   1HB   TRP 120          HB2       TRP 120  12.305   5.657   7.915
  952   2HB   TRP 120          HB3       TRP 120  12.190   7.408   7.813
  953    HD1  TRP 120           HD1      TRP 120  14.224   8.702   6.842
  954    HE1  TRP 120           HE1      TRP 120  16.438   8.009   5.744
  955    HE3  TRP 120           HE3      TRP 120  14.152   3.711   7.960
  956    HZ2  TRP 120           HZ2      TRP 120  17.945   5.658   5.375
  957    HZ3  TRP 120           HZ3      TRP 120  16.023   2.307   7.183
  958    HH2  TRP 120           HH2      TRP 120  17.875   3.263   5.915
  959    H    LEU 121           H        LEU 121  11.216   8.554   9.584
  960    HA   LEU 121           HA       LEU 121  12.860  10.815   9.878
  961   1HB   LEU 121          2HB       LEU 121  10.010  10.202   9.749
  962   2HB   LEU 121          3HB       LEU 121  10.355  11.531  10.837
  963    HG   LEU 121           HG       LEU 121  10.736  11.384   7.863
  964   1HD1  LEU 121          1HD1      LEU 121   9.268  13.035   9.835
  965   2HD1  LEU 121          2HD1      LEU 121   9.874  13.843   8.389
  966   3HD1  LEU 121          3HD1      LEU 121   8.782  12.466   8.238
  967   1HD2  LEU 121          1HD2      LEU 121  12.183  13.254   9.744
  968   2HD2  LEU 121          2HD2      LEU 121  12.916  12.070   8.663
  969   3HD2  LEU 121          3HD2      LEU 121  12.069  13.466   7.997
  970    H    GLU 122           H        GLU 122  10.986   8.919  12.208
  971    HA   GLU 122           HA       GLU 122  11.275  10.586  14.434
  972   1HB   GLU 122          2HB       GLU 122   9.753   8.551  14.072
  973   2HB   GLU 122          3HB       GLU 122  11.124   7.589  14.600
  974   1HG   GLU 122          2HG       GLU 122  10.954   9.468  16.569
  975   2HG   GLU 122          3HG       GLU 122   9.261   9.217  16.139
  976    H    GLU 123           H        GLU 123  13.305   7.945  13.282
  977    HA   GLU 123           HA       GLU 123  15.073   8.072  15.545
  978   1HB   GLU 123          2HB       GLU 123  14.580   6.225  13.512
  979   2HB   GLU 123          3HB       GLU 123  16.222   6.781  13.217
  980   1HG   GLU 123          2HG       GLU 123  16.289   4.838  14.612
  981   2HG   GLU 123          3HG       GLU 123  16.790   6.240  15.556
  982    H    GLY 124           H        GLY 124  14.620  10.145  13.073
  983   1HA   GLY 124          1HA       GLY 124  15.838  11.955  12.359
  984   2HA   GLY 124          2HA       GLY 124  17.029  11.552  13.588
  985    H    LEU 125           H        LEU 125  16.042   9.298  11.128
  986    HA   LEU 125           HA       LEU 125  18.750   9.008  10.227
  987   1HB   LEU 125          2HB       LEU 125  16.170   7.764   9.269
  988   2HB   LEU 125          3HB       LEU 125  17.763   7.319   8.685
  989    HG   LEU 125           HG       LEU 125  16.715   6.945  11.494
  990   1HD1  LEU 125          1HD1      LEU 125  16.686   5.321   9.119
  991   2HD1  LEU 125          2HD1      LEU 125  17.620   4.545  10.399
  992   3HD1  LEU 125          3HD1      LEU 125  15.949   5.025  10.694
  993   1HD2  LEU 125          1HD2      LEU 125  19.135   7.548  11.406
  994   2HD2  LEU 125          2HD2      LEU 125  18.820   5.930  12.035
  995   3HD2  LEU 125          3HD2      LEU 125  19.402   6.138  10.381
  996    HA   PRO 126           HA       PRO 126  18.985  11.713   6.779
  997   1HB   PRO 126          2HB       PRO 126  19.724   9.990   4.742
  998   2HB   PRO 126          3HB       PRO 126  20.837  10.687   5.926
  999   1HG   PRO 126          2HG       PRO 126  19.479   8.012   5.947
 1000   2HG   PRO 126          3HG       PRO 126  21.175   8.410   6.310
 1001   1HD   PRO 126          2HD       PRO 126  19.482   7.981   8.294
 1002   2HD   PRO 126          3HD       PRO 126  20.623   9.342   8.397
 1003    H    SER 127           H        SER 127  17.114  12.528   6.021
 1004    HA   SER 127           HA       SER 127  15.541  10.859   4.202
 1005   1HB   SER 127          2HB       SER 127  13.628  12.403   5.416
 1006   2HB   SER 127          3HB       SER 127  13.997  10.735   5.863
 1007    HG   SER 127           HG       SER 127  15.395  11.520   7.468
 1008    H    LEU 128           H        LEU 128  14.338  12.056   2.647
 1009    HA   LEU 128           HA       LEU 128  15.342  14.791   2.226
 1010   1HB   LEU 128          2HB       LEU 128  14.397  12.628   0.395
 1011   2HB   LEU 128          3HB       LEU 128  14.145  14.295  -0.084
 1012    HG   LEU 128           HG       LEU 128  16.886  13.554   0.772
 1013   1HD1  LEU 128          1HD1      LEU 128  15.542  11.941  -1.075
 1014   2HD1  LEU 128          2HD1      LEU 128  16.566  13.013  -2.030
 1015   3HD1  LEU 128          3HD1      LEU 128  17.278  12.008  -0.768
 1016   1HD2  LEU 128          1HD2      LEU 128  15.533  15.494  -1.001
 1017   2HD2  LEU 128          2HD2      LEU 128  16.919  15.703   0.069
 1018   3HD2  LEU 128          3HD2      LEU 128  17.129  14.939  -1.505
 1019    H    ASP 129           H        ASP 129  13.971  16.037   3.355
 1020    HA   ASP 129           HA       ASP 129  11.124  15.882   2.655
 1021   1HB   ASP 129          2HB       ASP 129  10.405  15.928   4.855
 1022   2HB   ASP 129          3HB       ASP 129  11.844  14.930   5.004
 1023    H    ARG 130           H        ARG 130  10.078  17.857   2.484
 1024    HA   ARG 130           HA       ARG 130  11.891  20.105   2.187
 1025   1HB   ARG 130          2HB       ARG 130   9.446  19.212   0.921
 1026   2HB   ARG 130          3HB       ARG 130   9.313  20.892   1.422
 1027   1HG   ARG 130          2HG       ARG 130  10.869  21.604  -0.054
 1028   2HG   ARG 130          3HG       ARG 130  11.799  20.108   0.033
 1029   1HD   ARG 130          2HD       ARG 130  10.694  19.182  -1.684
 1030   2HD   ARG 130          3HD       ARG 130   9.134  19.796  -1.134
 1031    HE   ARG 130           HE       ARG 130  11.098  21.397  -2.658
 1032   1HH1  ARG 130          1HH1      ARG 130   7.814  20.533  -1.840
 1033   2HH1  ARG 130          2HH1      ARG 130   7.089  21.656  -2.950
 1034   1HH2  ARG 130          1HH2      ARG 130  10.165  22.881  -4.150
 1035   2HH2  ARG 130          2HH2      ARG 130   8.428  22.990  -4.274
 1036    H    SER 131           H        SER 131  12.168  21.437   3.809
 1037    HA   SER 131           HA       SER 131  10.518  21.531   6.097
 1038   1HB   SER 131          2HB       SER 131  12.352  23.792   5.403
 1039   2HB   SER 131          3HB       SER 131  12.085  23.001   6.958
 1040    HG   SER 131           HG       SER 131  13.154  21.141   6.059
 1041    H    HIS 132           H        HIS 132   8.453  22.116   5.782
 1042    HA   HIS 132           HA       HIS 132   7.721  24.377   4.140
 1043   1HB   HIS 132          2HB       HIS 132   5.960  22.857   6.080
 1044   2HB   HIS 132          3HB       HIS 132   5.438  23.865   4.736
 1045    HD1  HIS 132           HD1      HIS 132   5.575  20.482   5.571
 1046    HD2  HIS 132           HD2      HIS 132   6.715  22.615   2.187
 1047    HE1  HIS 132           HE1      HIS 132   5.672  18.795   3.707
 1048    HE2  HIS 132           HE2      HIS 132   6.248  20.126   1.643
 1049    H    HIS 133           H        HIS 133   9.296  25.680   5.494
 1050    HA   HIS 133           HA       HIS 133   8.428  26.386   8.152
 1051   1HB   HIS 133          2HB       HIS 133  10.866  26.367   6.822
 1052   2HB   HIS 133          3HB       HIS 133  10.508  28.078   7.028
 1053    HD1  HIS 133           HD1      HIS 133  10.792  29.063   9.339
 1054    HD2  HIS 133           HD2      HIS 133  11.072  24.909   9.291
 1055    HE1  HIS 133           HE1      HIS 133  11.582  28.406  11.634
 1056    HE2  HIS 133           HE2      HIS 133  11.689  25.887  11.610
 1057    H    HIS 134           H        HIS 134   7.333  27.316   5.246
 1058    HA   HIS 134           HA       HIS 134   6.993  30.136   5.942
 1059   1HB   HIS 134          2HB       HIS 134   7.351  28.837   3.500
 1060   2HB   HIS 134          3HB       HIS 134   5.647  29.284   3.509
 1061    HD1  HIS 134           HD1      HIS 134   8.187  30.549   1.848
 1062    HD2  HIS 134           HD2      HIS 134   6.043  32.236   4.990
 1063    HE1  HIS 134           HE1      HIS 134   8.520  33.032   1.642
 1064    HE2  HIS 134           HE2      HIS 134   7.356  34.019   3.643
 1065    H    HIS 135           H        HIS 135   5.755  28.531   7.717
 1066    HA   HIS 135           HA       HIS 135   2.912  28.706   6.958
 1067   1HB   HIS 135          2HB       HIS 135   4.440  26.601   8.393
 1068   2HB   HIS 135          3HB       HIS 135   2.815  26.943   8.974
 1069    HD1  HIS 135           HD1      HIS 135   1.175  27.226   6.499
 1070    HD2  HIS 135           HD2      HIS 135   4.247  24.431   6.830
 1071    HE1  HIS 135           HE1      HIS 135   0.658  25.435   4.807
 1072    HE2  HIS 135           HE2      HIS 135   2.432  23.676   5.145
 1073    H    HIS 136           H        HIS 136   4.258  30.904   7.981
 1074    HA   HIS 136           HA       HIS 136   3.901  31.109  10.811
 1075   1HB   HIS 136          2HB       HIS 136   5.008  33.064  10.593
 1076   2HB   HIS 136          3HB       HIS 136   5.267  32.579   8.927
 1077    HD1  HIS 136           HD1      HIS 136   3.322  33.541   7.212
 1078    HD2  HIS 136           HD2      HIS 136   3.795  35.466  10.874
 1079    HE1  HIS 136           HE1      HIS 136   2.268  35.811   6.931
 1080    HE2  HIS 136           HE2      HIS 136   2.708  37.015   9.103
 1081    H    HIS 137           H        HIS 137   1.944  31.500   8.033
 1082    HA   HIS 137           HA       HIS 137  -0.485  31.370   9.335
 1083   1HB   HIS 137          2HB       HIS 137   0.399  33.845   9.866
 1084   2HB   HIS 137          3HB       HIS 137  -0.287  34.152   8.274
 1085    HD1  HIS 137           HD1      HIS 137  -1.228  33.419  11.806
 1086    HD2  HIS 137           HD2      HIS 137  -3.105  33.885   8.120
 1087    HE1  HIS 137           HE1      HIS 137  -3.677  33.665  12.314
 1088    HE2  HIS 137           HE2      HIS 137  -4.805  33.812  10.067
 1089   1H    ALA   1           H1       ALA   1  24.076 -11.582 -19.363
 1090   2H    ALA   1           H2       ALA   1  22.565 -12.282 -19.047
 1091   3H    ALA   1           H3       ALA   1  22.782 -10.615 -18.845
 1092    HA   ALA   1           HA       ALA   1  23.492 -12.818 -17.101
 1093   1HB   ALA   1          1HB       ALA   1  25.665 -11.791 -17.992
 1094   2HB   ALA   1          2HB       ALA   1  25.214 -10.363 -17.059
 1095   3HB   ALA   1          3HB       ALA   1  25.462 -11.907 -16.244
 1096    H    ASP   2           H        ASP   2  21.118 -11.863 -17.051
 1097    HA   ASP   2           HA       ASP   2  21.038 -10.220 -14.667
 1098   1HB   ASP   2          2HB       ASP   2  19.579  -8.529 -15.526
 1099   2HB   ASP   2          3HB       ASP   2  20.962  -8.611 -16.608
 1100    H    MET   3           H        MET   3  19.539 -10.936 -13.322
 1101    HA   MET   3           HA       MET   3  17.767 -13.042 -14.293
 1102   1HB   MET   3          2HB       MET   3  19.175 -12.516 -11.851
 1103   2HB   MET   3          3HB       MET   3  17.460 -12.685 -11.502
 1104   1HG   MET   3          2HG       MET   3  18.777 -14.793 -11.352
 1105   2HG   MET   3          3HG       MET   3  17.394 -14.858 -12.441
 1106   1HE   MET   3          1HE       MET   3  20.870 -13.454 -12.456
 1107   2HE   MET   3          2HE       MET   3  21.562 -15.075 -12.518
 1108   3HE   MET   3          3HE       MET   3  21.624 -14.036 -13.941
 1109    H    GLY   4           H        GLY   4  17.548  -9.839 -14.130
 1110   1HA   GLY   4          1HA       GLY   4  15.223  -9.221 -12.712
 1111   2HA   GLY   4          2HA       GLY   4  15.811  -8.337 -14.112
 1112    H    GLU   5           H        GLU   5  15.631 -10.596 -15.882
 1113    HA   GLU   5           HA       GLU   5  12.872 -10.375 -16.643
 1114   1HB   GLU   5          2HB       GLU   5  15.183 -10.842 -18.014
 1115   2HB   GLU   5          3HB       GLU   5  14.494 -12.459 -17.942
 1116   1HG   GLU   5          2HG       GLU   5  12.347 -10.901 -18.658
 1117   2HG   GLU   5          3HG       GLU   5  13.693 -10.152 -19.514
 1118    H    LYS   6           H        LYS   6  14.856 -12.719 -15.010
 1119    HA   LYS   6           HA       LYS   6  13.172 -14.944 -15.400
 1120   1HB   LYS   6          2HB       LYS   6  15.183 -14.590 -13.182
 1121   2HB   LYS   6          3HB       LYS   6  14.596 -16.104 -13.860
 1122   1HG   LYS   6          2HG       LYS   6  15.723 -14.443 -15.921
 1123   2HG   LYS   6          3HG       LYS   6  16.875 -14.683 -14.606
 1124   1HD   LYS   6          2HD       LYS   6  16.336 -17.150 -14.762
 1125   2HD   LYS   6          3HD       LYS   6  15.486 -16.776 -16.264
 1126   1HE   LYS   6          2HE       LYS   6  17.392 -16.608 -17.411
 1127   2HE   LYS   6          3HE       LYS   6  18.136 -15.598 -16.171
 1128   1HZ   LYS   6          HZ1       LYS   6  18.456 -17.734 -14.886
 1129   2HZ   LYS   6          HZ2       LYS   6  18.067 -18.554 -16.319
 1130   3HZ   LYS   6          HZ3       LYS   6  19.424 -17.533 -16.265
 1131    H    PHE   7           H        PHE   7  13.731 -13.073 -12.369
 1132    HA   PHE   7           HA       PHE   7  11.618 -14.489 -11.096
 1133   1HB   PHE   7          2HB       PHE   7  11.888 -12.675  -9.282
 1134   2HB   PHE   7          3HB       PHE   7  13.207 -13.799  -9.559
 1135    HD1  PHE   7           HD1      PHE   7  12.090 -10.484 -10.870
 1136    HD2  PHE   7           HD2      PHE   7  15.290 -12.907  -9.473
 1137    HE1  PHE   7           HE1      PHE   7  13.625  -8.580 -11.108
 1138    HE2  PHE   7           HE2      PHE   7  16.836 -11.009  -9.715
 1139    HZ   PHE   7           HZ       PHE   7  16.000  -8.839 -10.534
 1140    H    ASP   8           H        ASP   8  11.766 -11.559 -12.892
 1141    HA   ASP   8           HA       ASP   8   9.556 -10.164 -11.994
 1142   1HB   ASP   8          2HB       ASP   8  10.576  -8.914 -13.598
 1143   2HB   ASP   8          3HB       ASP   8  11.000 -10.318 -14.571
 1144    H    ALA   9           H        ALA   9   9.622 -12.751 -14.434
 1145    HA   ALA   9           HA       ALA   9   6.903 -12.813 -15.037
 1146   1HB   ALA   9          1HB       ALA   9   8.955 -15.019 -15.045
 1147   2HB   ALA   9          2HB       ALA   9   7.337 -15.165 -15.732
 1148   3HB   ALA   9          3HB       ALA   9   8.476 -13.995 -16.399
 1149    H    THR  10           H        THR  10   8.722 -14.500 -12.500
 1150    HA   THR  10           HA       THR  10   6.500 -15.960 -11.510
 1151    HB   THR  10           HB       THR  10   8.686 -15.299  -9.631
 1152    HG1  THR  10           HG1      THR  10  10.243 -16.381 -10.813
 1153   1HG2  THR  10          1HG2      THR  10   6.928 -17.081  -9.310
 1154   2HG2  THR  10          2HG2      THR  10   7.690 -17.967 -10.630
 1155   3HG2  THR  10          3HG2      THR  10   8.594 -17.636  -9.152
 1156    H    PHE  11           H        PHE  11   8.014 -12.883 -10.570
 1157    HA   PHE  11           HA       PHE  11   6.509 -12.283  -8.306
 1158   1HB   PHE  11          2HB       PHE  11   8.466 -11.015  -9.676
 1159   2HB   PHE  11          3HB       PHE  11   7.082 -10.045 -10.168
 1160    HD1  PHE  11           HD1      PHE  11   5.540  -9.228  -8.223
 1161    HD2  PHE  11           HD2      PHE  11   9.575 -10.488  -7.739
 1162    HE1  PHE  11           HE1      PHE  11   5.671  -7.986  -6.103
 1163    HE2  PHE  11           HE2      PHE  11   9.713  -9.250  -5.623
 1164    HZ   PHE  11           HZ       PHE  11   7.762  -8.002  -4.798
 1165    H    LYS  12           H        LYS  12   5.883 -11.522 -11.691
 1166    HA   LYS  12           HA       LYS  12   3.402 -10.233 -11.305
 1167   1HB   LYS  12          2HB       LYS  12   4.955 -10.150 -13.325
 1168   2HB   LYS  12          3HB       LYS  12   4.247 -11.688 -13.797
 1169   1HG   LYS  12          2HG       LYS  12   3.227  -9.750 -14.927
 1170   2HG   LYS  12          3HG       LYS  12   2.070 -10.692 -13.982
 1171   1HD   LYS  12          2HD       LYS  12   1.478  -8.629 -13.245
 1172   2HD   LYS  12          3HD       LYS  12   2.804  -8.923 -12.117
 1173   1HE   LYS  12          2HE       LYS  12   3.990  -7.238 -12.955
 1174   2HE   LYS  12          3HE       LYS  12   3.785  -7.839 -14.601
 1175   1HZ   LYS  12          HZ1       LYS  12   1.451  -6.828 -14.392
 1176   2HZ   LYS  12          HZ2       LYS  12   2.106  -5.939 -13.100
 1177   3HZ   LYS  12          HZ3       LYS  12   2.763  -5.790 -14.664
 1178    H    ALA  13           H        ALA  13   4.278 -13.575 -11.488
 1179    HA   ALA  13           HA       ALA  13   1.680 -14.574 -12.180
 1180   1HB   ALA  13          1HB       ALA  13   4.133 -15.893 -11.035
 1181   2HB   ALA  13          2HB       ALA  13   2.647 -16.766 -11.412
 1182   3HB   ALA  13          3HB       ALA  13   3.545 -15.958 -12.697
 1183    H    GLN  14           H        GLN  14   3.484 -14.109  -9.208
 1184    HA   GLN  14           HA       GLN  14   1.471 -15.217  -7.494
 1185   1HB   GLN  14          2HB       GLN  14   3.790 -13.376  -6.872
 1186   2HB   GLN  14          3HB       GLN  14   2.790 -14.173  -5.669
 1187   1HG   GLN  14          2HG       GLN  14   3.610 -16.268  -7.224
 1188   2HG   GLN  14          3HG       GLN  14   5.014 -15.203  -7.243
 1189   1HE2  GLN  14          1HE2      GLN  14   6.073 -14.738  -5.304
 1190   2HE2  GLN  14          2HE2      GLN  14   5.868 -15.726  -3.890
 1191    H    VAL  15           H        VAL  15   2.514 -11.945  -8.308
 1192    HA   VAL  15           HA       VAL  15   0.706 -10.601  -6.674
 1193    HB   VAL  15           HB       VAL  15   2.708  -9.917  -8.613
 1194   1HG1  VAL  15          1HG1      VAL  15   0.100  -8.517  -8.924
 1195   2HG1  VAL  15          2HG1      VAL  15   1.591  -7.582  -9.040
 1196   3HG1  VAL  15          3HG1      VAL  15   1.311  -8.936 -10.135
 1197   1HG2  VAL  15          1HG2      VAL  15   1.618  -8.982  -6.074
 1198   2HG2  VAL  15          2HG2      VAL  15   3.287  -9.048  -6.642
 1199   3HG2  VAL  15          3HG2      VAL  15   2.254  -7.692  -7.094
 1200    H    LYS  16           H        LYS  16   0.331 -11.756  -9.984
 1201    HA   LYS  16           HA       LYS  16  -2.011 -10.275 -10.581
 1202   1HB   LYS  16          2HB       LYS  16  -0.448 -12.393 -11.829
 1203   2HB   LYS  16          3HB       LYS  16  -2.173 -12.594 -12.100
 1204   1HG   LYS  16          2HG       LYS  16  -2.350 -10.550 -13.224
 1205   2HG   LYS  16          3HG       LYS  16  -0.794  -9.981 -12.615
 1206   1HD   LYS  16          2HD       LYS  16   0.408 -11.274 -14.103
 1207   2HD   LYS  16          3HD       LYS  16  -0.903 -12.440 -14.303
 1208   1HE   LYS  16          2HE       LYS  16  -1.711  -9.807 -15.163
 1209   2HE   LYS  16          3HE       LYS  16  -0.250 -10.328 -16.004
 1210   1HZ   LYS  16          HZ1       LYS  16  -1.397 -12.382 -16.605
 1211   2HZ   LYS  16          HZ2       LYS  16  -2.804 -11.836 -15.832
 1212   3HZ   LYS  16          HZ3       LYS  16  -2.215 -11.019 -17.198
 1213    H    ALA  17           H        ALA  17  -1.466 -13.461  -9.180
 1214    HA   ALA  17           HA       ALA  17  -4.048 -14.476  -9.323
 1215   1HB   ALA  17          1HB       ALA  17  -1.678 -15.018  -7.628
 1216   2HB   ALA  17          2HB       ALA  17  -3.226 -15.681  -7.104
 1217   3HB   ALA  17          3HB       ALA  17  -2.583 -16.093  -8.693
 1218    H    ALA  18           H        ALA  18  -2.660 -12.228  -7.044
 1219    HA   ALA  18           HA       ALA  18  -4.641 -12.425  -5.047
 1220   1HB   ALA  18          1HB       ALA  18  -2.297 -10.842  -5.543
 1221   2HB   ALA  18          2HB       ALA  18  -3.604  -9.826  -4.937
 1222   3HB   ALA  18          3HB       ALA  18  -3.079 -11.233  -4.012
 1223    H    LYS  19           H        LYS  19  -4.484 -10.523  -8.011
 1224    HA   LYS  19           HA       LYS  19  -6.860  -8.999  -7.355
 1225   1HB   LYS  19          2HB       LYS  19  -6.290  -7.670  -9.078
 1226   2HB   LYS  19          3HB       LYS  19  -4.750  -8.510  -9.023
 1227   1HG   LYS  19          2HG       LYS  19  -5.309  -9.882 -10.847
 1228   2HG   LYS  19          3HG       LYS  19  -7.021  -9.466 -10.737
 1229   1HD   LYS  19          2HD       LYS  19  -6.405  -7.111 -11.311
 1230   2HD   LYS  19          3HD       LYS  19  -4.756  -7.667 -11.604
 1231   1HE   LYS  19          2HE       LYS  19  -5.296  -8.621 -13.574
 1232   2HE   LYS  19          3HE       LYS  19  -6.847  -9.207 -12.979
 1233   1HZ   LYS  19          HZ1       LYS  19  -7.166  -6.498 -13.086
 1234   2HZ   LYS  19          HZ2       LYS  19  -6.248  -6.835 -14.474
 1235   3HZ   LYS  19          HZ3       LYS  19  -7.735  -7.611 -14.232
 1236    H    ALA  20           H        ALA  20  -5.982 -11.938  -8.776
 1237    HA   ALA  20           HA       ALA  20  -8.391 -12.284 -10.343
 1238   1HB   ALA  20          1HB       ALA  20  -5.861 -13.759  -9.992
 1239   2HB   ALA  20          2HB       ALA  20  -7.272 -14.713 -10.452
 1240   3HB   ALA  20          3HB       ALA  20  -6.753 -13.364 -11.460
 1241    H    ASP  21           H        ASP  21  -7.501 -12.864  -7.136
 1242    HA   ASP  21           HA       ASP  21  -8.934 -15.261  -6.667
 1243   1HB   ASP  21          2HB       ASP  21  -7.030 -14.324  -5.291
 1244   2HB   ASP  21          3HB       ASP  21  -8.185 -13.185  -4.608
 1245    H    MET  22           H        MET  22  -9.952 -11.981  -6.873
 1246    HA   MET  22           HA       MET  22 -12.556 -12.740  -5.727
 1247   1HB   MET  22          2HB       MET  22 -12.729 -10.168  -5.323
 1248   2HB   MET  22          3HB       MET  22 -11.830 -11.174  -4.196
 1249   1HG   MET  22          2HG       MET  22  -9.789 -10.561  -5.665
 1250   2HG   MET  22          3HG       MET  22 -10.812  -9.245  -6.236
 1251   1HE   MET  22          1HE       MET  22 -12.329  -8.048  -4.473
 1252   2HE   MET  22          2HE       MET  22 -12.335  -8.888  -2.923
 1253   3HE   MET  22          3HE       MET  22 -11.620  -7.282  -3.052
 1254    H    VAL  23           H        VAL  23 -14.260 -10.991  -6.456
 1255    HA   VAL  23           HA       VAL  23 -14.521 -11.294  -9.288
 1256    HB   VAL  23           HB       VAL  23 -16.240  -9.624  -7.443
 1257   1HG1  VAL  23          1HG1      VAL  23 -16.309  -9.626 -10.118
 1258   2HG1  VAL  23          2HG1      VAL  23 -17.347 -11.016  -9.805
 1259   3HG1  VAL  23          3HG1      VAL  23 -17.750  -9.442  -9.119
 1260   1HG2  VAL  23          1HG2      VAL  23 -15.870 -12.463  -7.503
 1261   2HG2  VAL  23          2HG2      VAL  23 -16.922 -11.499  -6.467
 1262   3HG2  VAL  23          3HG2      VAL  23 -17.506 -12.069  -8.029
 1263    H    MET  24           H        MET  24 -13.399 -10.052 -10.640
 1264    HA   MET  24           HA       MET  24 -12.473  -7.438  -9.887
 1265   1HB   MET  24          2HB       MET  24 -12.114  -9.250 -12.225
 1266   2HB   MET  24          3HB       MET  24 -11.794  -7.535 -12.455
 1267   1HG   MET  24          2HG       MET  24 -10.549  -8.489 -10.045
 1268   2HG   MET  24          3HG       MET  24 -10.067  -9.462 -11.434
 1269   1HE   MET  24          1HE       MET  24 -10.157  -6.287  -9.604
 1270   2HE   MET  24          2HE       MET  24  -8.426  -6.614  -9.504
 1271   3HE   MET  24          3HE       MET  24  -9.008  -5.205 -10.391
 1272    H    LEU  25           H        LEU  25 -13.865  -5.786  -9.866
 1273    HA   LEU  25           HA       LEU  25 -15.844  -5.598 -12.038
 1274   1HB   LEU  25          2HB       LEU  25 -15.968  -5.141  -9.159
 1275   2HB   LEU  25          3HB       LEU  25 -16.573  -3.773 -10.075
 1276    HG   LEU  25           HG       LEU  25 -17.650  -6.567  -9.930
 1277   1HD1  LEU  25          1HD1      LEU  25 -18.319  -4.341  -8.603
 1278   2HD1  LEU  25          2HD1      LEU  25 -19.345  -4.152 -10.026
 1279   3HD1  LEU  25          3HD1      LEU  25 -19.478  -5.601  -9.026
 1280   1HD2  LEU  25          1HD2      LEU  25 -17.346  -5.907 -12.342
 1281   2HD2  LEU  25          2HD2      LEU  25 -19.007  -6.240 -11.851
 1282   3HD2  LEU  25          3HD2      LEU  25 -18.458  -4.574 -12.037
 1283    H    SER  26           H        SER  26 -16.556  -3.005 -11.786
 1284    HA   SER  26           HA       SER  26 -14.108  -1.418 -12.067
 1285   1HB   SER  26          2HB       SER  26 -15.614  -0.148 -13.867
 1286   2HB   SER  26          3HB       SER  26 -14.599  -1.515 -14.327
 1287    HG   SER  26           HG       SER  26 -16.421  -2.862 -14.168
 1288    HA   PRO  27           HA       PRO  27 -15.925   1.206  -9.051
 1289   1HB   PRO  27          2HB       PRO  27 -15.313   3.683 -10.229
 1290   2HB   PRO  27          3HB       PRO  27 -14.312   2.783  -9.089
 1291   1HG   PRO  27          2HG       PRO  27 -14.163   2.902 -12.062
 1292   2HG   PRO  27          3HG       PRO  27 -12.856   2.771 -10.871
 1293   1HD   PRO  27          2HD       PRO  27 -13.617   0.655 -12.301
 1294   2HD   PRO  27          3HD       PRO  27 -13.179   0.482 -10.591
 1295    H    LYS  28           H        LYS  28 -16.930   1.455 -12.363
 1296    HA   LYS  28           HA       LYS  28 -19.066   3.324 -11.943
 1297   1HB   LYS  28          2HB       LYS  28 -18.345   1.411 -14.153
 1298   2HB   LYS  28          3HB       LYS  28 -19.872   2.282 -14.164
 1299   1HG   LYS  28          2HG       LYS  28 -18.342   4.370 -13.822
 1300   2HG   LYS  28          3HG       LYS  28 -17.102   3.310 -14.496
 1301   1HD   LYS  28          2HD       LYS  28 -19.735   3.505 -15.875
 1302   2HD   LYS  28          3HD       LYS  28 -18.582   4.831 -16.051
 1303   1HE   LYS  28          2HE       LYS  28 -17.533   2.090 -16.416
 1304   2HE   LYS  28          3HE       LYS  28 -18.622   2.693 -17.664
 1305   1HZ   LYS  28          HZ1       LYS  28 -16.614   4.600 -16.899
 1306   2HZ   LYS  28          HZ2       LYS  28 -15.956   3.165 -17.527
 1307   3HZ   LYS  28          HZ3       LYS  28 -17.069   4.062 -18.443
 1308    H    ASP  29           H        ASP  29 -18.802  -0.191 -12.239
 1309    HA   ASP  29           HA       ASP  29 -21.595  -0.615 -11.638
 1310   1HB   ASP  29          2HB       ASP  29 -19.896  -2.106 -13.042
 1311   2HB   ASP  29          3HB       ASP  29 -19.615  -2.841 -11.464
 1312    H    ALA  30           H        ALA  30 -18.551  -0.662  -9.989
 1313    HA   ALA  30           HA       ALA  30 -19.375  -1.951  -7.608
 1314   1HB   ALA  30          1HB       ALA  30 -16.996  -1.484  -8.381
 1315   2HB   ALA  30          2HB       ALA  30 -17.222   0.136  -7.727
 1316   3HB   ALA  30          3HB       ALA  30 -17.341  -1.267  -6.666
 1317    H    TYR  31           H        TYR  31 -19.168   1.486  -8.500
 1318    HA   TYR  31           HA       TYR  31 -20.179   2.413  -6.015
 1319   1HB   TYR  31          HB2       TYR  31 -18.979   3.993  -7.313
 1320   2HB   TYR  31          HB3       TYR  31 -19.966   3.690  -8.735
 1321    HD1  TYR  31           HD1      TYR  31 -20.377   4.860  -5.205
 1322    HD2  TYR  31           HD2      TYR  31 -21.571   5.265  -9.270
 1323    HE1  TYR  31           HE1      TYR  31 -21.839   6.736  -4.584
 1324    HE2  TYR  31           HE2      TYR  31 -23.038   7.136  -8.658
 1325    HH   TYR  31           HH       TYR  31 -23.771   8.448  -7.052
 1326    H    LYS  32           H        LYS  32 -21.689   1.288  -8.964
 1327    HA   LYS  32           HA       LYS  32 -24.252   2.345  -8.578
 1328   1HB   LYS  32          2HB       LYS  32 -23.426   1.263 -10.672
 1329   2HB   LYS  32          3HB       LYS  32 -23.581  -0.297  -9.874
 1330   1HG   LYS  32          2HG       LYS  32 -25.683  -0.393 -10.541
 1331   2HG   LYS  32          3HG       LYS  32 -26.044   1.017  -9.543
 1332   1HD   LYS  32          2HD       LYS  32 -24.743   1.784 -12.006
 1333   2HD   LYS  32          3HD       LYS  32 -26.198   0.835 -12.320
 1334   1HE   LYS  32          2HE       LYS  32 -27.520   2.530 -11.746
 1335   2HE   LYS  32          3HE       LYS  32 -26.650   2.777 -10.233
 1336   1HZ   LYS  32          HZ1       LYS  32 -25.654   3.776 -12.838
 1337   2HZ   LYS  32          HZ2       LYS  32 -26.647   4.700 -11.820
 1338   3HZ   LYS  32          HZ3       LYS  32 -25.116   4.199 -11.289
 1339    H    LEU  33           H        LEU  33 -22.890  -0.783  -7.540
 1340    HA   LEU  33           HA       LEU  33 -25.291  -1.600  -6.244
 1341   1HB   LEU  33          2HB       LEU  33 -23.643  -3.218  -5.034
 1342   2HB   LEU  33          3HB       LEU  33 -24.029  -3.443  -6.726
 1343    HG   LEU  33           HG       LEU  33 -21.797  -1.859  -6.869
 1344   1HD1  LEU  33          1HD1      LEU  33 -21.678  -2.310  -4.312
 1345   2HD1  LEU  33          2HD1      LEU  33 -21.092  -3.901  -4.805
 1346   3HD1  LEU  33          3HD1      LEU  33 -20.218  -2.448  -5.295
 1347   1HD2  LEU  33          1HD2      LEU  33 -22.599  -4.264  -7.806
 1348   2HD2  LEU  33          2HD2      LEU  33 -20.977  -3.604  -8.031
 1349   3HD2  LEU  33          3HD2      LEU  33 -21.289  -4.753  -6.729
 1350    H    LEU  34           H        LEU  34 -22.610   0.373  -5.306
 1351    HA   LEU  34           HA       LEU  34 -23.066   0.227  -2.477
 1352   1HB   LEU  34          2HB       LEU  34 -21.675   2.354  -4.109
 1353   2HB   LEU  34          3HB       LEU  34 -21.628   2.224  -2.362
 1354    HG   LEU  34           HG       LEU  34 -20.576   0.076  -4.192
 1355   1HD1  LEU  34          1HD1      LEU  34 -19.398   2.640  -3.375
 1356   2HD1  LEU  34          2HD1      LEU  34 -18.373   1.228  -3.132
 1357   3HD1  LEU  34          3HD1      LEU  34 -19.008   1.591  -4.736
 1358   1HD2  LEU  34          1HD2      LEU  34 -21.031   0.262  -1.391
 1359   2HD2  LEU  34          2HD2      LEU  34 -20.332  -1.069  -2.314
 1360   3HD2  LEU  34          3HD2      LEU  34 -19.289   0.206  -1.678
 1361    H    GLN  35           H        GLN  35 -23.932   2.480  -5.055
 1362    HA   GLN  35           HA       GLN  35 -25.200   4.330  -3.335
 1363   1HB   GLN  35          2HB       GLN  35 -25.692   5.583  -5.255
 1364   2HB   GLN  35          3HB       GLN  35 -24.154   4.802  -5.582
 1365   1HG   GLN  35          2HG       GLN  35 -24.962   3.708  -7.341
 1366   2HG   GLN  35          3HG       GLN  35 -26.436   3.246  -6.488
 1367   1HE2  GLN  35          1HE2      GLN  35 -27.848   3.714  -8.114
 1368   2HE2  GLN  35          2HE2      GLN  35 -28.151   5.335  -8.643
 1369    H    GLU  36           H        GLU  36 -26.349   1.469  -4.919
 1370    HA   GLU  36           HA       GLU  36 -29.111   2.292  -4.379
 1371   1HB   GLU  36          2HB       GLU  36 -27.836   0.623  -6.416
 1372   2HB   GLU  36          3HB       GLU  36 -29.295  -0.086  -5.734
 1373   1HG   GLU  36          2HG       GLU  36 -30.652   1.557  -6.554
 1374   2HG   GLU  36          3HG       GLU  36 -29.367   2.764  -6.565
 1375    H    ASN  37           H        ASN  37 -26.674   0.433  -3.006
 1376    HA   ASN  37           HA       ASN  37 -28.684  -0.995  -1.396
 1377   1HB   ASN  37          2HB       ASN  37 -26.173  -2.091  -2.621
 1378   2HB   ASN  37          3HB       ASN  37 -26.795  -2.771  -1.123
 1379   1HD2  ASN  37          1HD2      ASN  37 -26.750  -3.169  -4.332
 1380   2HD2  ASN  37          2HD2      ASN  37 -28.240  -4.022  -4.559
 1381    HA   PRO  38           HA       PRO  38 -26.414   1.433   1.620
 1382   1HB   PRO  38          2HB       PRO  38 -28.470   0.470   3.474
 1383   2HB   PRO  38          3HB       PRO  38 -28.109   2.120   2.965
 1384   1HG   PRO  38          2HG       PRO  38 -30.348   0.848   2.188
 1385   2HG   PRO  38          3HG       PRO  38 -29.510   2.006   1.138
 1386   1HD   PRO  38          2HD       PRO  38 -29.435  -0.992   1.092
 1387   2HD   PRO  38          3HD       PRO  38 -29.556   0.151  -0.264
 1388    H    ASP  39           H        ASP  39 -26.753  -1.882   1.392
 1389    HA   ASP  39           HA       ASP  39 -25.417  -2.360   3.955
 1390   1HB   ASP  39          2HB       ASP  39 -27.569  -3.640   2.952
 1391   2HB   ASP  39          3HB       ASP  39 -26.286  -4.669   2.324
 1392    H    ILE  40           H        ILE  40 -24.957  -2.526   0.522
 1393    HA   ILE  40           HA       ILE  40 -22.554  -4.119   0.692
 1394    HB   ILE  40           HB       ILE  40 -23.514  -2.419  -1.620
 1395   1HG1  ILE  40          2HG1      ILE  40 -23.926  -5.364  -1.027
 1396   2HG1  ILE  40          3HG1      ILE  40 -25.174  -4.125  -1.080
 1397   1HG2  ILE  40          1HG2      ILE  40 -21.067  -3.106  -1.475
 1398   2HG2  ILE  40          2HG2      ILE  40 -21.630  -4.760  -1.712
 1399   3HG2  ILE  40          3HG2      ILE  40 -21.929  -3.541  -2.950
 1400   1HD1  ILE  40          1HD1      ILE  40 -23.610  -4.346  -3.539
 1401   2HD1  ILE  40          2HD1      ILE  40 -24.528  -5.793  -3.124
 1402   3HD1  ILE  40          3HD1      ILE  40 -25.354  -4.245  -3.302
 1403    H    THR  41           H        THR  41 -20.855  -3.298   1.646
 1404    HA   THR  41           HA       THR  41 -20.476  -0.402   1.687
 1405    HB   THR  41           HB       THR  41 -18.810  -2.312   3.278
 1406    HG1  THR  41           HG1      THR  41 -21.415  -2.456   3.299
 1407   1HG2  THR  41          1HG2      THR  41 -18.732   0.332   3.180
 1408   2HG2  THR  41          2HG2      THR  41 -20.050   0.179   4.340
 1409   3HG2  THR  41          3HG2      THR  41 -18.477  -0.539   4.691
 1410    H    LEU  42           H        LEU  42 -18.568   0.635   1.082
 1411    HA   LEU  42           HA       LEU  42 -16.683  -1.007  -0.468
 1412   1HB   LEU  42          2HB       LEU  42 -17.426   0.629  -1.958
 1413   2HB   LEU  42          3HB       LEU  42 -17.545   1.854  -0.706
 1414    HG   LEU  42           HG       LEU  42 -14.918   1.601  -0.660
 1415   1HD1  LEU  42          1HD1      LEU  42 -15.712   0.051  -2.974
 1416   2HD1  LEU  42          2HD1      LEU  42 -14.624   1.373  -3.401
 1417   3HD1  LEU  42          3HD1      LEU  42 -14.137   0.187  -2.190
 1418   1HD2  LEU  42          1HD2      LEU  42 -16.314   3.601  -1.288
 1419   2HD2  LEU  42          2HD2      LEU  42 -14.751   3.479  -2.096
 1420   3HD2  LEU  42          3HD2      LEU  42 -16.226   3.039  -2.958
 1421    H    ILE  43           H        ILE  43 -14.741  -1.323   0.355
 1422    HA   ILE  43           HA       ILE  43 -13.839   0.424   2.543
 1423    HB   ILE  43           HB       ILE  43 -13.262  -2.454   1.923
 1424   1HG1  ILE  43          2HG1      ILE  43 -13.375  -2.094   4.648
 1425   2HG1  ILE  43          3HG1      ILE  43 -14.486  -0.860   4.056
 1426   1HG2  ILE  43          1HG2      ILE  43 -11.176  -0.728   2.432
 1427   2HG2  ILE  43          2HG2      ILE  43 -11.574  -1.351   4.033
 1428   3HG2  ILE  43          3HG2      ILE  43 -11.168  -2.464   2.728
 1429   1HD1  ILE  43          1HD1      ILE  43 -14.616  -3.802   3.422
 1430   2HD1  ILE  43          2HD1      ILE  43 -15.643  -2.936   4.567
 1431   3HD1  ILE  43          3HD1      ILE  43 -15.735  -2.565   2.845
 1432    H    ASP  44           H        ASP  44 -12.523   1.943   1.896
 1433    HA   ASP  44           HA       ASP  44 -10.874   1.438  -0.472
 1434   1HB   ASP  44          2HB       ASP  44 -11.904   3.391  -1.016
 1435   2HB   ASP  44          3HB       ASP  44 -12.176   3.838   0.658
 1436    H    VAL  45           H        VAL  45  -8.747   1.420  -0.384
 1437    HA   VAL  45           HA       VAL  45  -7.473   1.985   2.212
 1438    HB   VAL  45           HB       VAL  45  -6.005   0.083   0.550
 1439   1HG1  VAL  45          1HG1      VAL  45  -6.003   0.783   3.140
 1440   2HG1  VAL  45          2HG1      VAL  45  -7.035  -0.647   3.219
 1441   3HG1  VAL  45          3HG1      VAL  45  -5.402  -0.770   2.558
 1442   1HG2  VAL  45          1HG2      VAL  45  -8.855  -0.380   0.938
 1443   2HG2  VAL  45          2HG2      VAL  45  -7.702  -1.224  -0.099
 1444   3HG2  VAL  45          3HG2      VAL  45  -7.848  -1.666   1.604
 1445    H    ARG  46           H        ARG  46  -6.688   3.947   1.785
 1446    HA   ARG  46           HA       ARG  46  -4.521   4.168  -0.144
 1447   1HB   ARG  46          2HB       ARG  46  -6.921   6.014  -0.136
 1448   2HB   ARG  46          3HB       ARG  46  -5.420   6.351  -0.985
 1449   1HG   ARG  46          2HG       ARG  46  -6.398   3.755  -1.710
 1450   2HG   ARG  46          3HG       ARG  46  -7.658   4.967  -1.930
 1451   1HD   ARG  46          2HD       ARG  46  -5.924   4.423  -3.832
 1452   2HD   ARG  46          3HD       ARG  46  -6.519   6.057  -3.571
 1453    HE   ARG  46           HE       ARG  46  -4.375   6.684  -3.172
 1454   1HH1  ARG  46          1HH1      ARG  46  -4.598   3.268  -2.338
 1455   2HH1  ARG  46          2HH1      ARG  46  -2.903   3.131  -2.014
 1456   1HH2  ARG  46          1HH2      ARG  46  -2.193   6.483  -2.762
 1457   2HH2  ARG  46          2HH2      ARG  46  -1.515   4.958  -2.239
 1458    H    ASP  47           H        ASP  47  -3.318   6.246   0.191
 1459    HA   ASP  47           HA       ASP  47  -2.872   6.634   2.974
 1460   1HB   ASP  47          2HB       ASP  47  -1.047   6.774   1.327
 1461   2HB   ASP  47          3HB       ASP  47  -1.797   8.209   0.626
 1462    HA   PRO  48           HA       PRO  48  -5.878   9.751   3.762
 1463   1HB   PRO  48          2HB       PRO  48  -4.697  10.929   5.937
 1464   2HB   PRO  48          3HB       PRO  48  -5.603   9.414   5.994
 1465   1HG   PRO  48          2HG       PRO  48  -2.648   9.856   5.866
 1466   2HG   PRO  48          3HG       PRO  48  -3.567   8.685   6.831
 1467   1HD   PRO  48          2HD       PRO  48  -2.293   7.974   4.572
 1468   2HD   PRO  48          3HD       PRO  48  -3.840   7.240   5.047
 1469    H    ASP  49           H        ASP  49  -2.495  10.668   3.319
 1470    HA   ASP  49           HA       ASP  49  -3.160  13.481   3.044
 1471   1HB   ASP  49          2HB       ASP  49  -0.823  12.321   3.693
 1472   2HB   ASP  49          3HB       ASP  49  -0.570  12.502   1.958
 1473    H    GLU  50           H        GLU  50  -2.708  10.697   1.005
 1474    HA   GLU  50           HA       GLU  50  -2.824  12.037  -1.516
 1475   1HB   GLU  50          2HB       GLU  50  -2.956   9.275  -0.515
 1476   2HB   GLU  50          3HB       GLU  50  -3.946   9.565  -1.938
 1477   1HG   GLU  50          2HG       GLU  50  -1.795  10.653  -2.896
 1478   2HG   GLU  50          3HG       GLU  50  -0.986   9.733  -1.628
 1479    H    LEU  51           H        LEU  51  -5.137  10.840   0.807
 1480    HA   LEU  51           HA       LEU  51  -7.492  11.094  -0.750
 1481   1HB   LEU  51          2HB       LEU  51  -6.777  10.446   1.958
 1482   2HB   LEU  51          3HB       LEU  51  -8.115  11.577   1.962
 1483    HG   LEU  51           HG       LEU  51  -9.353  10.025   0.441
 1484   1HD1  LEU  51          1HD1      LEU  51  -6.800   8.681   0.461
 1485   2HD1  LEU  51          2HD1      LEU  51  -8.103   7.601   0.958
 1486   3HD1  LEU  51          3HD1      LEU  51  -8.193   8.440  -0.592
 1487   1HD2  LEU  51          1HD2      LEU  51  -9.526  10.093   2.981
 1488   2HD2  LEU  51          2HD2      LEU  51 -10.102   8.631   2.179
 1489   3HD2  LEU  51          3HD2      LEU  51  -8.529   8.638   2.976
 1490    H    LYS  52           H        LYS  52  -5.648  13.283   1.253
 1491    HA   LYS  52           HA       LYS  52  -7.541  15.414   1.263
 1492   1HB   LYS  52          2HB       LYS  52  -4.618  15.190   1.895
 1493   2HB   LYS  52          3HB       LYS  52  -5.357  16.777   1.747
 1494   1HG   LYS  52          2HG       LYS  52  -6.210  16.642   3.785
 1495   2HG   LYS  52          3HG       LYS  52  -6.946  15.074   3.440
 1496   1HD   LYS  52          2HD       LYS  52  -5.441  14.103   4.760
 1497   2HD   LYS  52          3HD       LYS  52  -4.159  14.659   3.684
 1498   1HE   LYS  52          2HE       LYS  52  -4.753  16.913   5.129
 1499   2HE   LYS  52          3HE       LYS  52  -4.962  15.631   6.319
 1500   1HZ   LYS  52          HZ1       LYS  52  -2.560  15.542   4.650
 1501   2HZ   LYS  52          HZ2       LYS  52  -2.634  16.736   5.855
 1502   3HZ   LYS  52          HZ3       LYS  52  -2.769  15.097   6.274
 1503    H    ALA  53           H        ALA  53  -4.792  14.549  -0.758
 1504    HA   ALA  53           HA       ALA  53  -4.844  16.985  -2.234
 1505   1HB   ALA  53          1HB       ALA  53  -2.842  15.478  -1.763
 1506   2HB   ALA  53          2HB       ALA  53  -3.428  14.486  -3.098
 1507   3HB   ALA  53          3HB       ALA  53  -2.975  16.167  -3.380
 1508    H    MET  54           H        MET  54  -5.726  13.635  -3.079
 1509    HA   MET  54           HA       MET  54  -6.665  14.600  -5.670
 1510   1HB   MET  54          2HB       MET  54  -6.362  11.792  -4.592
 1511   2HB   MET  54          3HB       MET  54  -6.877  12.186  -6.226
 1512   1HG   MET  54          2HG       MET  54  -4.498  13.592  -5.830
 1513   2HG   MET  54          3HG       MET  54  -4.230  11.995  -5.138
 1514   1HE   MET  54          1HE       MET  54  -3.436  10.372  -6.050
 1515   2HE   MET  54          2HE       MET  54  -4.306   9.529  -7.332
 1516   3HE   MET  54          3HE       MET  54  -2.779  10.336  -7.687
 1517    H    GLY  55           H        GLY  55  -7.935  13.123  -2.762
 1518   1HA   GLY  55          1HA       GLY  55 -10.248  13.826  -2.208
 1519   2HA   GLY  55          2HA       GLY  55 -10.647  13.423  -3.874
 1520    H    LYS  56           H        LYS  56 -12.160  12.248  -2.038
 1521    HA   LYS  56           HA       LYS  56 -11.334   9.454  -2.250
 1522   1HB   LYS  56          2HB       LYS  56 -12.287   9.069   0.082
 1523   2HB   LYS  56          3HB       LYS  56 -10.717   9.854  -0.001
 1524   1HG   LYS  56          2HG       LYS  56 -11.530  11.869   0.727
 1525   2HG   LYS  56          3HG       LYS  56 -13.159  11.549   0.130
 1526   1HD   LYS  56          2HD       LYS  56 -13.724  10.267   1.962
 1527   2HD   LYS  56          3HD       LYS  56 -12.046   9.861   2.322
 1528   1HE   LYS  56          2HE       LYS  56 -11.630  11.974   3.272
 1529   2HE   LYS  56          3HE       LYS  56 -13.103  12.659   2.588
 1530   1HZ   LYS  56          HZ1       LYS  56 -13.910  10.536   4.161
 1531   2HZ   LYS  56          HZ2       LYS  56 -12.736  11.349   5.070
 1532   3HZ   LYS  56          HZ3       LYS  56 -14.091  12.188   4.493
 1533    HA   PRO  57           HA       PRO  57 -15.392   8.776  -3.734
 1534   1HB   PRO  57          2HB       PRO  57 -16.155   6.504  -2.332
 1535   2HB   PRO  57          3HB       PRO  57 -15.210   6.525  -3.822
 1536   1HG   PRO  57          2HG       PRO  57 -14.290   6.252  -0.997
 1537   2HG   PRO  57          3HG       PRO  57 -13.669   5.468  -2.461
 1538   1HD   PRO  57          2HD       PRO  57 -12.386   7.526  -1.303
 1539   2HD   PRO  57          3HD       PRO  57 -12.412   7.318  -3.068
 1540    H    ASP  58           H        ASP  58 -17.139   9.918  -3.261
 1541    HA   ASP  58           HA       ASP  58 -17.942  10.204  -0.459
 1542   1HB   ASP  58          2HB       ASP  58 -17.640  12.279  -1.767
 1543   2HB   ASP  58          3HB       ASP  58 -18.882  11.740  -2.893
 1544    H    VAL  59           H        VAL  59 -18.716   7.946  -0.540
 1545    HA   VAL  59           HA       VAL  59 -21.417   7.831  -1.693
 1546    HB   VAL  59           HB       VAL  59 -21.289   5.497  -1.937
 1547   1HG1  VAL  59          1HG1      VAL  59 -19.519   7.093  -3.263
 1548   2HG1  VAL  59          2HG1      VAL  59 -18.470   5.814  -2.652
 1549   3HG1  VAL  59          3HG1      VAL  59 -19.861   5.408  -3.657
 1550   1HG2  VAL  59          1HG2      VAL  59 -20.103   5.253   0.350
 1551   2HG2  VAL  59          2HG2      VAL  59 -19.830   4.034  -0.894
 1552   3HG2  VAL  59          3HG2      VAL  59 -18.621   5.283  -0.603
 1553    H    LYS  60           H        LYS  60 -22.850   6.293  -0.324
 1554    HA   LYS  60           HA       LYS  60 -22.983   7.520   2.242
 1555   1HB   LYS  60          2HB       LYS  60 -24.724   5.193   1.793
 1556   2HB   LYS  60          3HB       LYS  60 -25.135   6.827   2.286
 1557   1HG   LYS  60          2HG       LYS  60 -26.080   6.986   0.278
 1558   2HG   LYS  60          3HG       LYS  60 -24.437   7.190  -0.329
 1559   1HD   LYS  60          2HD       LYS  60 -25.228   5.482  -1.673
 1560   2HD   LYS  60          3HD       LYS  60 -24.437   4.577  -0.382
 1561   1HE   LYS  60          2HE       LYS  60 -26.725   3.756  -1.050
 1562   2HE   LYS  60          3HE       LYS  60 -26.506   4.092   0.667
 1563   1HZ   LYS  60          HZ1       LYS  60 -27.541   6.240  -1.035
 1564   2HZ   LYS  60          HZ2       LYS  60 -28.590   4.963  -0.643
 1565   3HZ   LYS  60          HZ3       LYS  60 -27.879   5.889   0.590
 1566    H    ASN  61           H        ASN  61 -21.910   4.422   1.071
 1567    HA   ASN  61           HA       ASN  61 -21.347   3.612   3.840
 1568   1HB   ASN  61          2HB       ASN  61 -21.406   1.226   2.659
 1569   2HB   ASN  61          3HB       ASN  61 -22.859   1.977   3.305
 1570   1HD2  ASN  61          1HD2      ASN  61 -24.160   0.824   1.924
 1571   2HD2  ASN  61          2HD2      ASN  61 -24.262   1.143   0.228
 1572    H    TYR  62           H        TYR  62 -19.406   4.960   3.177
 1573    HA   TYR  62           HA       TYR  62 -17.415   3.191   1.930
 1574   1HB   TYR  62          HB2       TYR  62 -17.326   5.036   0.544
 1575   2HB   TYR  62          HB3       TYR  62 -17.826   6.148   1.812
 1576    HD1  TYR  62           HD1      TYR  62 -14.947   3.790   1.450
 1577    HD2  TYR  62           HD2      TYR  62 -16.254   7.774   2.114
 1578    HE1  TYR  62           HE1      TYR  62 -12.617   4.494   1.750
 1579    HE2  TYR  62           HE2      TYR  62 -13.922   8.500   2.407
 1580    HH   TYR  62           HH       TYR  62 -11.262   6.501   1.577
 1581    H    LYS  63           H        LYS  63 -15.898   2.423   3.265
 1582    HA   LYS  63           HA       LYS  63 -15.400   3.894   5.768
 1583   1HB   LYS  63          2HB       LYS  63 -15.259   0.890   5.463
 1584   2HB   LYS  63          3HB       LYS  63 -15.142   1.816   6.952
 1585   1HG   LYS  63          2HG       LYS  63 -17.592   2.567   5.990
 1586   2HG   LYS  63          3HG       LYS  63 -17.493   0.874   5.504
 1587   1HD   LYS  63          2HD       LYS  63 -16.567   0.739   8.051
 1588   2HD   LYS  63          3HD       LYS  63 -17.722   2.066   8.185
 1589   1HE   LYS  63          2HE       LYS  63 -19.181   0.311   6.754
 1590   2HE   LYS  63          3HE       LYS  63 -18.174  -0.808   7.672
 1591   1HZ   LYS  63          HZ1       LYS  63 -19.429   1.375   9.156
 1592   2HZ   LYS  63          HZ2       LYS  63 -20.454   0.143   8.600
 1593   3HZ   LYS  63          HZ3       LYS  63 -19.152  -0.232   9.618
 1594    H    HIS  64           H        HIS  64 -13.382   4.629   5.863
 1595    HA   HIS  64           HA       HIS  64 -11.314   3.597   4.118
 1596   1HB   HIS  64          2HB       HIS  64 -11.732   6.070   4.968
 1597   2HB   HIS  64          3HB       HIS  64 -10.775   5.530   6.344
 1598    HD1  HIS  64           HD1      HIS  64  -8.596   6.704   5.957
 1599    HD2  HIS  64           HD2      HIS  64  -9.974   4.734   2.567
 1600    HE1  HIS  64           HE1      HIS  64  -6.773   6.944   4.246
 1601    HE2  HIS  64           HE2      HIS  64  -7.726   5.923   2.149
 1602    H    MET  65           H        MET  65 -10.196   1.807   4.672
 1603    HA   MET  65           HA       MET  65  -9.772   1.309   7.554
 1604   1HB   MET  65          2HB       MET  65 -10.715  -0.393   5.429
 1605   2HB   MET  65          3HB       MET  65  -9.218  -1.039   6.087
 1606   1HG   MET  65          2HG       MET  65 -10.676  -2.051   7.483
 1607   2HG   MET  65          3HG       MET  65 -10.456  -0.548   8.378
 1608   1HE   MET  65          1HE       MET  65 -12.072   1.607   7.827
 1609   2HE   MET  65          2HE       MET  65 -13.743   1.229   8.246
 1610   3HE   MET  65          3HE       MET  65 -12.429   0.705   9.300
 1611    H    SER  66           H        SER  66  -7.859   2.492   7.716
 1612    HA   SER  66           HA       SER  66  -5.649   1.534   6.024
 1613   1HB   SER  66          2HB       SER  66  -5.119   4.141   7.089
 1614   2HB   SER  66          3HB       SER  66  -5.302   3.652   5.403
 1615    HG   SER  66           HG       SER  66  -7.412   4.316   7.193
 1616    H    ARG  67           H        ARG  67  -4.938  -0.007   7.457
 1617    HA   ARG  67           HA       ARG  67  -3.539   1.103   9.802
 1618   1HB   ARG  67          2HB       ARG  67  -5.321  -0.877  10.046
 1619   2HB   ARG  67          3HB       ARG  67  -3.924  -1.844   9.591
 1620   1HG   ARG  67          2HG       ARG  67  -4.292  -1.595  12.052
 1621   2HG   ARG  67          3HG       ARG  67  -2.693  -1.118  11.481
 1622   1HD   ARG  67          2HD       ARG  67  -4.739   1.014  11.600
 1623   2HD   ARG  67          3HD       ARG  67  -4.179   0.376  13.147
 1624    HE   ARG  67           HE       ARG  67  -2.720   2.052  11.330
 1625   1HH1  ARG  67          1HH1      ARG  67  -2.391  -0.382  13.847
 1626   2HH1  ARG  67          2HH1      ARG  67  -0.748   0.048  14.220
 1627   1HH2  ARG  67          1HH2      ARG  67  -0.575   2.623  11.836
 1628   2HH2  ARG  67          2HH2      ARG  67   0.267   1.802  13.121
 1629    H    GLY  68           H        GLY  68  -2.264  -1.911   9.413
 1630   1HA   GLY  68          1HA       GLY  68  -0.164  -0.954   7.617
 1631   2HA   GLY  68          2HA       GLY  68  -0.165  -2.472   8.518
 1632    H    LYS  69           H        LYS  69  -2.649  -3.394   7.957
 1633    HA   LYS  69           HA       LYS  69  -3.156  -3.254   5.138
 1634   1HB   LYS  69          2HB       LYS  69  -1.831  -5.587   6.277
 1635   2HB   LYS  69          3HB       LYS  69  -3.351  -5.997   5.490
 1636   1HG   LYS  69          2HG       LYS  69  -1.067  -4.486   4.231
 1637   2HG   LYS  69          3HG       LYS  69  -1.471  -6.179   3.951
 1638   1HD   LYS  69          2HD       LYS  69  -2.550  -5.287   2.163
 1639   2HD   LYS  69          3HD       LYS  69  -3.835  -5.092   3.354
 1640   1HE   LYS  69          2HE       LYS  69  -3.682  -3.019   2.240
 1641   2HE   LYS  69          3HE       LYS  69  -2.885  -2.781   3.794
 1642   1HZ   LYS  69          HZ1       LYS  69  -0.884  -3.595   2.138
 1643   2HZ   LYS  69          HZ2       LYS  69  -1.813  -2.580   1.149
 1644   3HZ   LYS  69          HZ3       LYS  69  -1.185  -2.000   2.619
 1645    H    LEU  70           H        LEU  70  -4.503  -2.245   7.204
 1646    HA   LEU  70           HA       LEU  70  -6.536  -1.968   8.102
 1647   1HB   LEU  70          2HB       LEU  70  -8.256  -2.216   6.670
 1648   2HB   LEU  70          3HB       LEU  70  -6.928  -2.477   5.563
 1649    HG   LEU  70           HG       LEU  70  -7.753  -4.993   6.679
 1650   1HD1  LEU  70          1HD1      LEU  70  -9.885  -3.118   6.214
 1651   2HD1  LEU  70          2HD1      LEU  70  -9.985  -4.469   5.083
 1652   3HD1  LEU  70          3HD1      LEU  70  -9.961  -4.774   6.818
 1653   1HD2  LEU  70          1HD2      LEU  70  -6.629  -4.165   4.413
 1654   2HD2  LEU  70          2HD2      LEU  70  -7.528  -5.678   4.523
 1655   3HD2  LEU  70          3HD2      LEU  70  -8.305  -4.236   3.869
 1656    H    GLU  71           H        GLU  71  -5.097  -4.872   8.450
 1657    HA   GLU  71           HA       GLU  71  -6.870  -6.731   9.271
 1658   1HB   GLU  71          2HB       GLU  71  -4.567  -6.450  11.108
 1659   2HB   GLU  71          3HB       GLU  71  -5.126  -7.848  10.203
 1660   1HG   GLU  71          2HG       GLU  71  -3.279  -7.502   8.990
 1661   2HG   GLU  71          3HG       GLU  71  -4.259  -6.277   8.187
 1662    HA   PRO  72           HA       PRO  72  -7.335  -5.201  13.787
 1663   1HB   PRO  72          2HB       PRO  72  -6.094  -2.560  13.989
 1664   2HB   PRO  72          3HB       PRO  72  -5.826  -4.000  14.976
 1665   1HG   PRO  72          2HG       PRO  72  -3.963  -3.075  13.269
 1666   2HG   PRO  72          3HG       PRO  72  -4.177  -4.809  13.579
 1667   1HD   PRO  72          2HD       PRO  72  -5.175  -3.162  11.275
 1668   2HD   PRO  72          3HD       PRO  72  -4.393  -4.759  11.260
 1669    H    LEU  73           H        LEU  73  -7.649  -3.034  11.131
 1670    HA   LEU  73           HA       LEU  73  -9.515  -1.284  12.463
 1671   1HB   LEU  73          2HB       LEU  73  -7.893  -1.196  10.123
 1672   2HB   LEU  73          3HB       LEU  73  -9.555  -0.922   9.638
 1673    HG   LEU  73           HG       LEU  73  -8.166   1.136  10.158
 1674   1HD1  LEU  73          1HD1      LEU  73 -10.884   0.486  10.883
 1675   2HD1  LEU  73          2HD1      LEU  73 -10.228   1.773  11.897
 1676   3HD1  LEU  73          3HD1      LEU  73 -10.230   1.948  10.142
 1677   1HD2  LEU  73          1HD2      LEU  73  -7.330  -0.092  12.338
 1678   2HD2  LEU  73          2HD2      LEU  73  -7.512   1.660  12.281
 1679   3HD2  LEU  73          3HD2      LEU  73  -8.762   0.667  13.032
 1680    H    LEU  74           H        LEU  74  -9.672  -4.222  10.785
 1681    HA   LEU  74           HA       LEU  74 -12.106  -4.068   9.438
 1682   1HB   LEU  74          2HB       LEU  74 -10.240  -5.949   9.667
 1683   2HB   LEU  74          3HB       LEU  74 -11.363  -6.584  10.853
 1684    HG   LEU  74           HG       LEU  74 -13.107  -6.760   9.160
 1685   1HD1  LEU  74          1HD1      LEU  74 -11.836  -4.792   7.827
 1686   2HD1  LEU  74          2HD1      LEU  74 -11.290  -6.197   6.915
 1687   3HD1  LEU  74          3HD1      LEU  74 -13.016  -5.877   7.093
 1688   1HD2  LEU  74          1HD2      LEU  74 -10.665  -8.216   9.208
 1689   2HD2  LEU  74          2HD2      LEU  74 -12.283  -8.777   8.781
 1690   3HD2  LEU  74          3HD2      LEU  74 -11.224  -8.110   7.537
 1691    H    ALA  75           H        ALA  75 -11.436  -5.125  12.754
 1692    HA   ALA  75           HA       ALA  75 -14.128  -5.632  13.440
 1693   1HB   ALA  75          1HB       ALA  75 -11.556  -5.501  14.853
 1694   2HB   ALA  75          2HB       ALA  75 -12.970  -5.149  15.845
 1695   3HB   ALA  75          3HB       ALA  75 -12.862  -6.680  14.978
 1696    H    LYS  76           H        LYS  76 -12.227  -2.734  13.380
 1697    HA   LYS  76           HA       LYS  76 -13.790  -1.241  15.213
 1698   1HB   LYS  76          2HB       LYS  76 -11.951  -0.192  13.063
 1699   2HB   LYS  76          3HB       LYS  76 -12.502   0.676  14.488
 1700   1HG   LYS  76          2HG       LYS  76 -11.029  -1.882  14.847
 1701   2HG   LYS  76          3HG       LYS  76 -10.133  -0.428  14.406
 1702   1HD   LYS  76          2HD       LYS  76 -11.970   0.225  16.487
 1703   2HD   LYS  76          3HD       LYS  76 -11.062  -1.212  16.962
 1704   1HE   LYS  76          2HE       LYS  76  -8.974   0.034  16.308
 1705   2HE   LYS  76          3HE       LYS  76  -9.977   1.475  16.149
 1706   1HZ   LYS  76          HZ1       LYS  76  -9.825  -0.131  18.639
 1707   2HZ   LYS  76          HZ2       LYS  76  -8.829   1.211  18.333
 1708   3HZ   LYS  76          HZ3       LYS  76 -10.513   1.408  18.436
 1709    H    SER  77           H        SER  77 -14.020  -1.778  11.754
 1710    HA   SER  77           HA       SER  77 -15.685   0.468  11.224
 1711   1HB   SER  77          2HB       SER  77 -16.166  -1.530   9.284
 1712   2HB   SER  77          3HB       SER  77 -15.098  -0.134   9.149
 1713    HG   SER  77           HG       SER  77 -13.572  -1.570   9.050
 1714    H    GLY  78           H        GLY  78 -16.273  -2.874  12.126
 1715   1HA   GLY  78          1HA       GLY  78 -18.248  -3.658  13.163
 1716   2HA   GLY  78          2HA       GLY  78 -19.092  -2.228  12.581
 1717    H    LEU  79           H        LEU  79 -17.134  -4.701  10.969
 1718    HA   LEU  79           HA       LEU  79 -19.204  -4.930   8.923
 1719   1HB   LEU  79          2HB       LEU  79 -16.381  -6.002   8.995
 1720   2HB   LEU  79          3HB       LEU  79 -17.484  -6.145   7.640
 1721    HG   LEU  79           HG       LEU  79 -16.699  -3.451   8.704
 1722   1HD1  LEU  79          1HD1      LEU  79 -14.892  -5.329   7.664
 1723   2HD1  LEU  79          2HD1      LEU  79 -15.217  -4.182   6.365
 1724   3HD1  LEU  79          3HD1      LEU  79 -14.630  -3.603   7.924
 1725   1HD2  LEU  79          1HD2      LEU  79 -18.277  -4.491   6.517
 1726   2HD2  LEU  79          2HD2      LEU  79 -18.145  -2.841   7.128
 1727   3HD2  LEU  79          3HD2      LEU  79 -16.987  -3.435   5.939
 1728    H    ASP  80           H        ASP  80 -20.068  -6.908   8.298
 1729    HA   ASP  80           HA       ASP  80 -19.433  -9.242   9.932
 1730   1HB   ASP  80          2HB       ASP  80 -21.667  -7.845  10.543
 1731   2HB   ASP  80          3HB       ASP  80 -22.308  -8.898   9.284
 1732    HA   PRO  81           HA       PRO  81 -19.091 -11.001   5.936
 1733   1HB   PRO  81          2HB       PRO  81 -19.676 -13.602   7.216
 1734   2HB   PRO  81          3HB       PRO  81 -18.227 -13.070   6.345
 1735   1HG   PRO  81          2HG       PRO  81 -18.216 -13.358   9.000
 1736   2HG   PRO  81          3HG       PRO  81 -17.327 -12.040   8.213
 1737   1HD   PRO  81          2HD       PRO  81 -19.965 -11.971   9.630
 1738   2HD   PRO  81          3HD       PRO  81 -18.623 -10.805   9.684
 1739    H    GLU  82           H        GLU  82 -21.943 -10.341   6.945
 1740    HA   GLU  82           HA       GLU  82 -23.342 -12.236   5.178
 1741   1HB   GLU  82          2HB       GLU  82 -25.410 -11.607   6.309
 1742   2HB   GLU  82          3HB       GLU  82 -24.231 -12.184   7.479
 1743   1HG   GLU  82          2HG       GLU  82 -24.375 -10.298   8.625
 1744   2HG   GLU  82          3HG       GLU  82 -23.985  -9.349   7.190
 1745    H    LYS  83           H        LYS  83 -21.833  -9.418   5.088
 1746    HA   LYS  83           HA       LYS  83 -23.802  -8.152   3.307
 1747   1HB   LYS  83          2HB       LYS  83 -21.726  -6.919   5.113
 1748   2HB   LYS  83          3HB       LYS  83 -22.566  -6.012   3.863
 1749   1HG   LYS  83          2HG       LYS  83 -24.323  -5.710   5.173
 1750   2HG   LYS  83          3HG       LYS  83 -24.443  -7.439   5.504
 1751   1HD   LYS  83          2HD       LYS  83 -23.069  -7.298   7.380
 1752   2HD   LYS  83          3HD       LYS  83 -22.383  -5.751   6.877
 1753   1HE   LYS  83          2HE       LYS  83 -24.216  -5.920   8.790
 1754   2HE   LYS  83          3HE       LYS  83 -24.142  -4.552   7.682
 1755   1HZ   LYS  83          HZ1       LYS  83 -25.819  -6.924   7.101
 1756   2HZ   LYS  83          HZ2       LYS  83 -26.397  -5.636   8.046
 1757   3HZ   LYS  83          HZ3       LYS  83 -25.922  -5.362   6.439
 1758    HA   PRO  84           HA       PRO  84 -20.683  -8.656   0.123
 1759   1HB   PRO  84          2HB       PRO  84 -22.213  -6.751  -1.455
 1760   2HB   PRO  84          3HB       PRO  84 -21.980  -8.477  -1.732
 1761   1HG   PRO  84          2HG       PRO  84 -24.367  -7.399  -1.012
 1762   2HG   PRO  84          3HG       PRO  84 -23.882  -9.050  -0.584
 1763   1HD   PRO  84          2HD       PRO  84 -23.842  -6.564   1.089
 1764   2HD   PRO  84          3HD       PRO  84 -24.314  -8.222   1.534
 1765    H    VAL  85           H        VAL  85 -18.910  -7.466  -0.475
 1766    HA   VAL  85           HA       VAL  85 -18.912  -4.584   0.077
 1767    HB   VAL  85           HB       VAL  85 -16.576  -4.958   1.104
 1768   1HG1  VAL  85          1HG1      VAL  85 -18.872  -4.358   2.223
 1769   2HG1  VAL  85          2HG1      VAL  85 -18.703  -5.967   2.925
 1770   3HG1  VAL  85          3HG1      VAL  85 -17.460  -4.747   3.206
 1771   1HG2  VAL  85          1HG2      VAL  85 -17.771  -7.702   1.457
 1772   2HG2  VAL  85          2HG2      VAL  85 -16.285  -7.284   0.600
 1773   3HG2  VAL  85          3HG2      VAL  85 -16.375  -7.094   2.352
 1774    H    VAL  86           H        VAL  86 -17.278  -3.401  -0.971
 1775    HA   VAL  86           HA       VAL  86 -15.702  -4.887  -2.953
 1776    HB   VAL  86           HB       VAL  86 -17.464  -3.883  -4.241
 1777   1HG1  VAL  86          1HG1      VAL  86 -16.876  -1.393  -2.670
 1778   2HG1  VAL  86          2HG1      VAL  86 -17.782  -1.371  -4.183
 1779   3HG1  VAL  86          3HG1      VAL  86 -18.396  -2.279  -2.802
 1780   1HG2  VAL  86          1HG2      VAL  86 -14.740  -3.063  -4.542
 1781   2HG2  VAL  86          2HG2      VAL  86 -15.950  -3.376  -5.787
 1782   3HG2  VAL  86          3HG2      VAL  86 -15.804  -1.765  -5.084
 1783    H    VAL  87           H        VAL  87 -13.617  -4.128  -3.244
 1784    HA   VAL  87           HA       VAL  87 -12.736  -2.088  -1.305
 1785    HB   VAL  87           HB       VAL  87 -10.451  -3.046  -1.662
 1786   1HG1  VAL  87          1HG1      VAL  87 -12.716  -4.368  -0.373
 1787   2HG1  VAL  87          2HG1      VAL  87 -11.353  -5.441  -0.692
 1788   3HG1  VAL  87          3HG1      VAL  87 -11.118  -3.977   0.263
 1789   1HG2  VAL  87          1HG2      VAL  87 -11.957  -5.155  -3.208
 1790   2HG2  VAL  87          2HG2      VAL  87 -10.773  -4.023  -3.862
 1791   3HG2  VAL  87          3HG2      VAL  87 -10.267  -5.264  -2.715
 1792    H    PHE  88           H        PHE  88 -11.053  -0.537  -2.081
 1793    HA   PHE  88           HA       PHE  88 -11.388  -0.102  -4.969
 1794   1HB   PHE  88          2HB       PHE  88 -12.658   1.473  -3.396
 1795   2HB   PHE  88          3HB       PHE  88 -11.081   2.182  -3.044
 1796    HD1  PHE  88           HD1      PHE  88 -12.573   0.902  -6.207
 1797    HD2  PHE  88           HD2      PHE  88 -10.980   4.258  -4.117
 1798    HE1  PHE  88           HE1      PHE  88 -12.659   2.230  -8.267
 1799    HE2  PHE  88           HE2      PHE  88 -11.063   5.580  -6.176
 1800    HZ   PHE  88           HZ       PHE  88 -11.900   4.570  -8.255
 1801    H    CYS  89           H        CYS  89  -9.651  -0.420  -6.012
 1802    HA   CYS  89           HA       CYS  89  -7.660   0.079  -6.940
 1803   1HB   CYS  89          2HB       CYS  89  -7.738   2.260  -5.567
 1804   2HB   CYS  89          3HB       CYS  89  -6.620   1.437  -4.479
 1805    H    LYS  90           H        LYS  90  -6.926  -1.897  -7.158
 1806    HA   LYS  90           HA       LYS  90  -5.673  -3.347  -4.975
 1807   1HB   LYS  90          2HB       LYS  90  -4.984  -4.794  -7.135
 1808   2HB   LYS  90          3HB       LYS  90  -6.536  -4.957  -6.327
 1809   1HG   LYS  90          2HG       LYS  90  -7.223  -4.787  -8.487
 1810   2HG   LYS  90          3HG       LYS  90  -7.251  -3.085  -8.027
 1811   1HD   LYS  90          2HD       LYS  90  -4.675  -3.395  -8.885
 1812   2HD   LYS  90          3HD       LYS  90  -5.549  -4.491  -9.956
 1813   1HE   LYS  90          2HE       LYS  90  -7.188  -2.464 -10.195
 1814   2HE   LYS  90          3HE       LYS  90  -5.795  -1.530  -9.654
 1815   1HZ   LYS  90          HZ1       LYS  90  -4.932  -3.289 -11.643
 1816   2HZ   LYS  90          HZ2       LYS  90  -6.333  -2.532 -12.219
 1817   3HZ   LYS  90          HZ3       LYS  90  -5.012  -1.597 -11.707
 1818    H    THR  91           H        THR  91  -4.777  -0.786  -6.697
 1819    HA   THR  91           HA       THR  91  -2.033  -1.580  -7.254
 1820    HB   THR  91           HB       THR  91  -2.799   1.229  -7.656
 1821    HG1  THR  91           HG1      THR  91  -4.355   0.849  -9.183
 1822   1HG2  THR  91          1HG2      THR  91  -0.852  -0.351  -8.609
 1823   2HG2  THR  91          2HG2      THR  91  -2.043  -0.561  -9.891
 1824   3HG2  THR  91          3HG2      THR  91  -1.458   1.053  -9.486
 1825    H    ALA  92           H        ALA  92  -0.254  -0.259  -6.473
 1826    HA   ALA  92           HA       ALA  92   1.019   0.664  -4.847
 1827   1HB   ALA  92          1HB       ALA  92  -1.321   2.360  -5.078
 1828   2HB   ALA  92          2HB       ALA  92  -0.563   2.466  -3.491
 1829   3HB   ALA  92          3HB       ALA  92   0.382   2.791  -4.943
 1830    H    ALA  93           H        ALA  93  -1.884   1.124  -2.928
 1831    HA   ALA  93           HA       ALA  93  -0.742  -0.175  -0.664
 1832   1HB   ALA  93          1HB       ALA  93  -2.954   1.531  -1.178
 1833   2HB   ALA  93          2HB       ALA  93  -3.545   0.106  -0.322
 1834   3HB   ALA  93          3HB       ALA  93  -2.250   1.079   0.375
 1835    H    ARG  94           H        ARG  94  -2.799  -1.126  -3.259
 1836    HA   ARG  94           HA       ARG  94  -3.519  -3.131  -3.998
 1837   1HB   ARG  94          2HB       ARG  94  -1.580  -4.037  -1.899
 1838   2HB   ARG  94          3HB       ARG  94  -2.612  -5.211  -2.706
 1839   1HG   ARG  94          2HG       ARG  94  -1.443  -3.538  -4.684
 1840   2HG   ARG  94          3HG       ARG  94  -0.171  -4.101  -3.599
 1841   1HD   ARG  94          2HD       ARG  94  -0.379  -6.249  -4.257
 1842   2HD   ARG  94          3HD       ARG  94  -2.130  -6.135  -4.423
 1843    HE   ARG  94           HE       ARG  94  -0.826  -4.658  -6.464
 1844   1HH1  ARG  94          1HH1      ARG  94  -1.598  -7.921  -5.471
 1845   2HH1  ARG  94          2HH1      ARG  94  -1.595  -8.561  -7.084
 1846   1HH2  ARG  94          1HH2      ARG  94  -0.826  -5.495  -8.617
 1847   2HH2  ARG  94          2HH2      ARG  94  -1.162  -7.177  -8.862
 1848    H    ALA  95           H        ALA  95  -5.652  -2.575  -3.428
 1849    HA   ALA  95           HA       ALA  95  -6.836  -3.267  -0.933
 1850   1HB   ALA  95          1HB       ALA  95  -7.852  -1.633  -2.439
 1851   2HB   ALA  95          2HB       ALA  95  -8.142  -2.902  -3.630
 1852   3HB   ALA  95          3HB       ALA  95  -8.968  -2.949  -2.069
 1853    H    ALA  96           H        ALA  96  -5.718  -5.121  -3.504
 1854    HA   ALA  96           HA       ALA  96  -7.507  -7.259  -3.622
 1855   1HB   ALA  96          1HB       ALA  96  -5.575  -6.848  -5.164
 1856   2HB   ALA  96          2HB       ALA  96  -4.516  -7.481  -3.901
 1857   3HB   ALA  96          3HB       ALA  96  -5.748  -8.518  -4.621
 1858    H    LEU  97           H        LEU  97  -5.073  -6.429  -1.269
 1859    HA   LEU  97           HA       LEU  97  -5.188  -8.960   0.116
 1860   1HB   LEU  97          2HB       LEU  97  -3.785  -6.390   0.468
 1861   2HB   LEU  97          3HB       LEU  97  -4.200  -7.215   1.958
 1862    HG   LEU  97           HG       LEU  97  -1.976  -7.834   1.379
 1863   1HD1  LEU  97          1HD1      LEU  97  -3.377  -9.620   2.286
 1864   2HD1  LEU  97          2HD1      LEU  97  -3.836 -10.090   0.648
 1865   3HD1  LEU  97          3HD1      LEU  97  -2.161 -10.252   1.175
 1866   1HD2  LEU  97          1HD2      LEU  97  -3.123  -8.343  -1.343
 1867   2HD2  LEU  97          2HD2      LEU  97  -1.747  -7.342  -0.888
 1868   3HD2  LEU  97          3HD2      LEU  97  -1.617  -9.099  -0.823
 1869    H    ALA  98           H        ALA  98  -6.870  -5.925   0.159
 1870    HA   ALA  98           HA       ALA  98  -8.073  -6.211   2.714
 1871   1HB   ALA  98          1HB       ALA  98  -7.755  -4.083   1.287
 1872   2HB   ALA  98          2HB       ALA  98  -9.257  -4.580   0.505
 1873   3HB   ALA  98          3HB       ALA  98  -9.230  -4.258   2.238
 1874    H    GLY  99           H        GLY  99  -8.887  -7.252  -0.516
 1875   1HA   GLY  99          1HA       GLY  99 -11.554  -8.056   0.389
 1876   2HA   GLY  99          2HA       GLY  99 -11.041  -7.897  -1.280
 1877    H    LYS 100           H        LYS 100  -8.764  -9.470  -1.323
 1878    HA   LYS 100           HA       LYS 100  -9.940 -11.963  -1.727
 1879   1HB   LYS 100          2HB       LYS 100  -8.015 -12.471  -2.776
 1880   2HB   LYS 100          3HB       LYS 100  -7.612 -10.782  -2.502
 1881   1HG   LYS 100          2HG       LYS 100  -5.909 -11.319  -1.178
 1882   2HG   LYS 100          3HG       LYS 100  -6.897 -12.433  -0.232
 1883   1HD   LYS 100          2HD       LYS 100  -6.375 -13.544  -2.828
 1884   2HD   LYS 100          3HD       LYS 100  -4.858 -13.068  -2.060
 1885   1HE   LYS 100          2HE       LYS 100  -5.277 -15.315  -1.414
 1886   2HE   LYS 100          3HE       LYS 100  -5.632 -14.309  -0.011
 1887   1HZ   LYS 100          HZ1       LYS 100  -7.784 -15.084  -1.880
 1888   2HZ   LYS 100          HZ2       LYS 100  -7.285 -16.152  -0.658
 1889   3HZ   LYS 100          HZ3       LYS 100  -7.898 -14.624  -0.257
 1890    H    THR 101           H        THR 101  -8.222 -10.704   1.050
 1891    HA   THR 101           HA       THR 101  -7.992 -13.220   2.389
 1892    HB   THR 101           HB       THR 101  -8.006 -10.605   3.852
 1893    HG1  THR 101           HG1      THR 101  -6.489  -9.904   2.555
 1894   1HG2  THR 101          1HG2      THR 101  -6.347 -13.126   4.041
 1895   2HG2  THR 101          2HG2      THR 101  -6.124 -11.695   5.045
 1896   3HG2  THR 101          3HG2      THR 101  -7.623 -12.618   5.148
 1897    H    LEU 102           H        LEU 102 -10.318 -10.599   2.339
 1898    HA   LEU 102           HA       LEU 102 -11.786 -11.362   4.604
 1899   1HB   LEU 102          2HB       LEU 102 -12.064  -9.452   2.405
 1900   2HB   LEU 102          3HB       LEU 102 -13.595 -10.013   3.055
 1901    HG   LEU 102           HG       LEU 102 -11.405  -8.519   4.475
 1902   1HD1  LEU 102          1HD1      LEU 102 -13.389  -7.475   3.137
 1903   2HD1  LEU 102          2HD1      LEU 102 -14.324  -7.911   4.568
 1904   3HD1  LEU 102          3HD1      LEU 102 -12.941  -6.824   4.713
 1905   1HD2  LEU 102          1HD2      LEU 102 -13.061 -10.572   5.570
 1906   2HD2  LEU 102          2HD2      LEU 102 -11.867  -9.555   6.380
 1907   3HD2  LEU 102          3HD2      LEU 102 -13.541  -9.015   6.245
 1908    H    ARG 103           H        ARG 103 -12.178 -12.218   1.180
 1909    HA   ARG 103           HA       ARG 103 -14.701 -13.466   1.513
 1910   1HB   ARG 103          2HB       ARG 103 -14.152 -14.637  -0.657
 1911   2HB   ARG 103          3HB       ARG 103 -14.107 -12.881  -0.706
 1912   1HG   ARG 103          2HG       ARG 103 -11.970 -12.856  -1.304
 1913   2HG   ARG 103          3HG       ARG 103 -11.523 -14.036  -0.069
 1914   1HD   ARG 103          2HD       ARG 103 -12.994 -14.928  -2.512
 1915   2HD   ARG 103          3HD       ARG 103 -11.263 -14.614  -2.601
 1916    HE   ARG 103           HE       ARG 103 -11.013 -16.289  -0.802
 1917   1HH1  ARG 103          1HH1      ARG 103 -13.860 -16.367  -2.833
 1918   2HH1  ARG 103          2HH1      ARG 103 -14.187 -18.040  -2.527
 1919   1HH2  ARG 103          1HH2      ARG 103 -11.437 -18.486  -0.390
 1920   2HH2  ARG 103          2HH2      ARG 103 -12.813 -19.243  -1.143
 1921    H    GLU 104           H        GLU 104 -11.478 -14.486   2.153
 1922    HA   GLU 104           HA       GLU 104 -12.056 -17.296   2.379
 1923   1HB   GLU 104          2HB       GLU 104  -9.694 -15.883   3.593
 1924   2HB   GLU 104          3HB       GLU 104  -9.818 -17.565   3.096
 1925   1HG   GLU 104          2HG       GLU 104 -10.233 -15.554   0.996
 1926   2HG   GLU 104          3HG       GLU 104  -8.602 -15.667   1.653
 1927    H    TYR 105           H        TYR 105 -12.885 -14.677   4.204
 1928    HA   TYR 105           HA       TYR 105 -12.756 -16.190   6.721
 1929   1HB   TYR 105          HB2       TYR 105 -13.052 -13.218   6.265
 1930   2HB   TYR 105          HB3       TYR 105 -13.174 -13.992   7.845
 1931    HD1  TYR 105           HD1      TYR 105 -10.960 -16.100   7.084
 1932    HD2  TYR 105           HD2      TYR 105 -11.144 -11.850   6.977
 1933    HE1  TYR 105           HE1      TYR 105  -8.516 -15.999   7.309
 1934    HE2  TYR 105           HE2      TYR 105  -8.695 -11.742   7.198
 1935    HH   TYR 105           HH       TYR 105  -6.845 -13.827   8.307
 1936    H    GLY 106           H        GLY 106 -14.838 -15.389   4.255
 1937   1HA   GLY 106          1HA       GLY 106 -16.900 -16.706   4.467
 1938   2HA   GLY 106          2HA       GLY 106 -17.122 -15.961   6.040
 1939    H    PHE 107           H        PHE 107 -15.980 -13.646   3.920
 1940    HA   PHE 107           HA       PHE 107 -18.466 -12.280   3.941
 1941   1HB   PHE 107          2HB       PHE 107 -15.753 -11.736   2.856
 1942   2HB   PHE 107          3HB       PHE 107 -17.098 -10.820   2.176
 1943    HD1  PHE 107           HD1      PHE 107 -15.730 -11.847   5.491
 1944    HD2  PHE 107           HD2      PHE 107 -17.700  -8.845   3.204
 1945    HE1  PHE 107           HE1      PHE 107 -15.690 -10.339   7.438
 1946    HE2  PHE 107           HE2      PHE 107 -17.659  -7.332   5.143
 1947    HZ   PHE 107           HZ       PHE 107 -16.655  -8.078   7.264
 1948    H    LYS 108           H        LYS 108 -20.049 -12.223   2.548
 1949    HA   LYS 108           HA       LYS 108 -20.465 -14.274   0.785
 1950   1HB   LYS 108          2HB       LYS 108 -22.187 -12.803   1.878
 1951   2HB   LYS 108          3HB       LYS 108 -21.848 -11.594   0.648
 1952   1HG   LYS 108          2HG       LYS 108 -22.400 -13.506  -1.015
 1953   2HG   LYS 108          3HG       LYS 108 -23.194 -14.243   0.378
 1954   1HD   LYS 108          2HD       LYS 108 -24.735 -12.495   0.572
 1955   2HD   LYS 108          3HD       LYS 108 -23.749 -11.399  -0.400
 1956   1HE   LYS 108          2HE       LYS 108 -24.425 -13.745  -1.914
 1957   2HE   LYS 108          3HE       LYS 108 -25.883 -13.007  -1.253
 1958   1HZ   LYS 108          HZ1       LYS 108 -23.855 -11.356  -2.626
 1959   2HZ   LYS 108          HZ2       LYS 108 -25.015 -12.212  -3.516
 1960   3HZ   LYS 108          HZ3       LYS 108 -25.506 -11.045  -2.390
 1961    H    THR 109           H        THR 109 -20.640 -10.978  -0.497
 1962    HA   THR 109           HA       THR 109 -19.195 -11.941  -2.869
 1963    HB   THR 109           HB       THR 109 -20.939  -9.565  -3.120
 1964    HG1  THR 109           HG1      THR 109 -22.119 -12.155  -3.077
 1965   1HG2  THR 109          1HG2      THR 109 -19.649 -10.721  -4.972
 1966   2HG2  THR 109          2HG2      THR 109 -20.789 -12.056  -4.812
 1967   3HG2  THR 109          3HG2      THR 109 -21.362 -10.455  -5.281
 1968    H    ILE 110           H        ILE 110 -17.248 -11.114  -3.042
 1969    HA   ILE 110           HA       ILE 110 -16.811  -8.375  -2.082
 1970    HB   ILE 110           HB       ILE 110 -15.709 -10.325  -0.821
 1971   1HG1  ILE 110          2HG1      ILE 110 -13.550  -8.474  -1.570
 1972   2HG1  ILE 110          3HG1      ILE 110 -15.066  -7.712  -1.094
 1973   1HG2  ILE 110          1HG2      ILE 110 -14.162 -10.380  -3.371
 1974   2HG2  ILE 110          2HG2      ILE 110 -13.352 -10.750  -1.847
 1975   3HG2  ILE 110          3HG2      ILE 110 -14.735 -11.714  -2.372
 1976   1HD1  ILE 110          1HD1      ILE 110 -13.910  -9.874   0.601
 1977   2HD1  ILE 110          2HD1      ILE 110 -13.253  -8.237   0.686
 1978   3HD1  ILE 110          3HD1      ILE 110 -14.955  -8.524   1.051
 1979    H    TYR 111           H        TYR 111 -16.130  -6.923  -3.504
 1980    HA   TYR 111           HA       TYR 111 -15.314  -7.890  -6.163
 1981   1HB   TYR 111          HB2       TYR 111 -16.422  -5.145  -5.600
 1982   2HB   TYR 111          HB3       TYR 111 -16.379  -6.016  -7.127
 1983    HD1  TYR 111           HD1      TYR 111 -18.123  -5.699  -3.887
 1984    HD2  TYR 111           HD2      TYR 111 -18.112  -7.565  -7.716
 1985    HE1  TYR 111           HE1      TYR 111 -20.444  -6.439  -3.530
 1986    HE2  TYR 111           HE2      TYR 111 -20.428  -8.308  -7.367
 1987    HH   TYR 111           HH       TYR 111 -22.399  -7.603  -6.024
 1988    H    ASN 112           H        ASN 112 -13.565  -6.940  -7.214
 1989    HA   ASN 112           HA       ASN 112 -11.953  -5.095  -5.583
 1990   1HB   ASN 112          2HB       ASN 112 -11.066  -7.518  -6.078
 1991   2HB   ASN 112          3HB       ASN 112 -10.730  -6.862  -7.679
 1992   1HD2  ASN 112          1HD2      ASN 112  -8.827  -7.825  -5.782
 1993   2HD2  ASN 112          2HD2      ASN 112  -7.794  -6.493  -5.383
 1994    H    SER 113           H        SER 113 -11.077  -3.363  -6.616
 1995    HA   SER 113           HA       SER 113 -12.494  -2.524  -8.958
 1996   1HB   SER 113          2HB       SER 113 -10.484  -0.663  -8.260
 1997   2HB   SER 113          3HB       SER 113 -12.210  -0.576  -7.892
 1998    HG   SER 113           HG       SER 113 -11.843  -1.578  -5.955
 1999    H    GLU 114           H        GLU 114 -11.796  -2.333 -10.924
 2000    HA   GLU 114           HA       GLU 114  -8.982  -2.906 -11.549
 2001   1HB   GLU 114          2HB       GLU 114 -11.348  -3.477 -12.991
 2002   2HB   GLU 114          3HB       GLU 114 -10.508  -2.217 -13.884
 2003   1HG   GLU 114          2HG       GLU 114  -9.794  -5.035 -13.459
 2004   2HG   GLU 114          3HG       GLU 114  -9.471  -3.973 -14.827
 2005    H    GLY 115           H        GLY 115  -7.805  -1.318 -12.766
 2006   1HA   GLY 115          1HA       GLY 115  -7.255   0.878 -13.352
 2007   2HA   GLY 115          2HA       GLY 115  -8.846   1.400 -12.808
 2008    H    GLY 116           H        GLY 116  -8.996   2.361 -10.878
 2009   1HA   GLY 116          1HA       GLY 116  -7.905   1.718  -8.511
 2010   2HA   GLY 116          2HA       GLY 116  -6.615   2.651  -9.259
 2011    H    MET 117           H        MET 117  -6.849   4.202  -7.566
 2012    HA   MET 117           HA       MET 117  -9.231   5.597  -7.007
 2013   1HB   MET 117          2HB       MET 117  -7.291   5.665  -5.524
 2014   2HB   MET 117          3HB       MET 117  -6.356   6.498  -6.756
 2015   1HG   MET 117          2HG       MET 117  -8.306   8.254  -6.575
 2016   2HG   MET 117          3HG       MET 117  -8.506   7.525  -4.982
 2017   1HE   MET 117          1HE       MET 117  -7.955   9.362  -3.443
 2018   2HE   MET 117          2HE       MET 117  -6.963   7.988  -2.951
 2019   3HE   MET 117          3HE       MET 117  -6.275   9.613  -2.967
 2020    H    ASP 118           H        ASP 118  -6.740   6.029  -9.424
 2021    HA   ASP 118           HA       ASP 118  -7.414   8.567 -10.377
 2022   1HB   ASP 118          2HB       ASP 118  -5.440   7.857 -11.300
 2023   2HB   ASP 118          3HB       ASP 118  -5.985   6.193 -11.463
 2024    H    LYS 119           H        LYS 119  -8.765   5.368 -11.105
 2025    HA   LYS 119           HA       LYS 119 -10.375   6.172 -13.262
 2026   1HB   LYS 119          2HB       LYS 119  -9.993   3.797 -11.620
 2027   2HB   LYS 119          3HB       LYS 119 -11.667   4.017 -12.112
 2028   1HG   LYS 119          2HG       LYS 119 -10.626   2.654 -13.742
 2029   2HG   LYS 119          3HG       LYS 119 -10.851   4.248 -14.467
 2030   1HD   LYS 119          2HD       LYS 119  -8.411   4.623 -13.506
 2031   2HD   LYS 119          3HD       LYS 119  -8.353   2.863 -13.637
 2032   1HE   LYS 119          2HE       LYS 119  -8.030   2.999 -15.826
 2033   2HE   LYS 119          3HE       LYS 119  -9.507   3.944 -16.015
 2034   1HZ   LYS 119          HZ1       LYS 119  -7.404   5.531 -14.943
 2035   2HZ   LYS 119          HZ2       LYS 119  -6.933   4.812 -16.409
 2036   3HZ   LYS 119          HZ3       LYS 119  -8.331   5.772 -16.348
 2037    H    TRP 120           H        TRP 120 -10.894   6.221  -9.774
 2038    HA   TRP 120           HA       TRP 120 -13.687   6.595  -9.823
 2039   1HB   TRP 120          HB2       TRP 120 -12.133   6.167  -7.795
 2040   2HB   TRP 120          HB3       TRP 120 -11.911   7.913  -7.783
 2041    HD1  TRP 120           HD1      TRP 120 -13.776   9.348  -6.732
 2042    HE1  TRP 120           HE1      TRP 120 -16.036   8.860  -5.597
 2043    HE3  TRP 120           HE3      TRP 120 -14.176   4.369  -7.828
 2044    HZ2  TRP 120           HZ2      TRP 120 -17.735   6.652  -5.191
 2045    HZ3  TRP 120           HZ3      TRP 120 -16.145   3.140  -7.014
 2046    HH2  TRP 120           HH2      TRP 120 -17.885   4.260  -5.720
 2047    H    LEU 121           H        LEU 121 -11.039   9.016  -9.657
 2048    HA   LEU 121           HA       LEU 121 -12.706  11.258  -9.976
 2049   1HB   LEU 121          2HB       LEU 121  -9.786  10.702 -10.295
 2050   2HB   LEU 121          3HB       LEU 121 -10.430  12.223 -10.876
 2051    HG   LEU 121           HG       LEU 121 -10.420  11.217  -8.024
 2052   1HD1  LEU 121          1HD1      LEU 121  -8.851  13.144  -9.604
 2053   2HD1  LEU 121          2HD1      LEU 121  -9.337  13.675  -7.995
 2054   3HD1  LEU 121          3HD1      LEU 121  -8.399  12.194  -8.190
 2055   1HD2  LEU 121          1HD2      LEU 121 -12.349  12.881  -9.264
 2056   2HD2  LEU 121          2HD2      LEU 121 -12.157  12.519  -7.549
 2057   3HD2  LEU 121          3HD2      LEU 121 -11.333  13.908  -8.254
 2058    H    GLU 122           H        GLU 122 -10.981   9.200 -12.284
 2059    HA   GLU 122           HA       GLU 122 -11.354  10.753 -14.587
 2060   1HB   GLU 122          2HB       GLU 122  -9.902   8.627 -14.197
 2061   2HB   GLU 122          3HB       GLU 122 -11.344   7.756 -14.701
 2062   1HG   GLU 122          2HG       GLU 122 -11.232   9.459 -16.717
 2063   2HG   GLU 122          3HG       GLU 122  -9.526   9.494 -16.272
 2064    H    GLU 123           H        GLU 123 -13.404   8.257 -13.140
 2065    HA   GLU 123           HA       GLU 123 -15.303   8.261 -15.272
 2066   1HB   GLU 123          2HB       GLU 123 -15.368   7.192 -12.452
 2067   2HB   GLU 123          3HB       GLU 123 -16.729   7.033 -13.554
 2068   1HG   GLU 123          2HG       GLU 123 -13.964   5.919 -13.952
 2069   2HG   GLU 123          3HG       GLU 123 -15.417   5.011 -13.539
 2070    H    GLY 124           H        GLY 124 -14.664  10.407 -12.758
 2071   1HA   GLY 124          1HA       GLY 124 -15.718  12.376 -12.179
 2072   2HA   GLY 124          2HA       GLY 124 -16.947  12.024 -13.388
 2073    H    LEU 125           H        LEU 125 -16.036   9.858 -10.810
 2074    HA   LEU 125           HA       LEU 125 -18.772   9.684  -9.959
 2075   1HB   LEU 125          2HB       LEU 125 -16.257   8.372  -8.933
 2076   2HB   LEU 125          3HB       LEU 125 -17.874   7.998  -8.366
 2077    HG   LEU 125           HG       LEU 125 -16.829   7.569 -11.165
 2078   1HD1  LEU 125          1HD1      LEU 125 -16.700   5.992  -8.805
 2079   2HD1  LEU 125          2HD1      LEU 125 -17.797   5.213  -9.949
 2080   3HD1  LEU 125          3HD1      LEU 125 -16.146   5.601 -10.434
 2081   1HD2  LEU 125          1HD2      LEU 125 -19.557   7.340  -9.967
 2082   2HD2  LEU 125          2HD2      LEU 125 -19.067   8.013 -11.521
 2083   3HD2  LEU 125          3HD2      LEU 125 -19.071   6.267 -11.279
 2084    HA   PRO 126           HA       PRO 126 -18.993  12.441  -6.553
 2085   1HB   PRO 126          2HB       PRO 126 -19.763  10.755  -4.485
 2086   2HB   PRO 126          3HB       PRO 126 -20.859  11.485  -5.663
 2087   1HG   PRO 126          2HG       PRO 126 -19.622   8.758  -5.658
 2088   2HG   PRO 126          3HG       PRO 126 -21.288   9.234  -6.058
 2089   1HD   PRO 126          2HD       PRO 126 -19.561   8.694  -7.998
 2090   2HD   PRO 126          3HD       PRO 126 -20.664  10.082  -8.154
 2091    H    SER 127           H        SER 127 -17.217  13.279  -5.664
 2092    HA   SER 127           HA       SER 127 -15.558  11.548  -3.977
 2093   1HB   SER 127          2HB       SER 127 -13.837  13.450  -5.115
 2094   2HB   SER 127          3HB       SER 127 -13.904  11.727  -5.489
 2095    HG   SER 127           HG       SER 127 -15.516  12.256  -7.088
 2096    H    LEU 128           H        LEU 128 -14.428  12.637  -2.309
 2097    HA   LEU 128           HA       LEU 128 -15.631  15.210  -1.557
 2098   1HB   LEU 128          2HB       LEU 128 -14.155  13.170   0.111
 2099   2HB   LEU 128          3HB       LEU 128 -14.784  14.691   0.712
 2100    HG   LEU 128           HG       LEU 128 -16.774  12.976  -0.617
 2101   1HD1  LEU 128          1HD1      LEU 128 -15.015  11.849   1.350
 2102   2HD1  LEU 128          2HD1      LEU 128 -16.653  11.965   1.993
 2103   3HD1  LEU 128          3HD1      LEU 128 -16.358  11.099   0.484
 2104   1HD2  LEU 128          1HD2      LEU 128 -16.665  14.517   1.967
 2105   2HD2  LEU 128          2HD2      LEU 128 -17.422  15.028   0.459
 2106   3HD2  LEU 128          3HD2      LEU 128 -18.086  13.666   1.362
 2107    H    ASP 129           H        ASP 129 -14.404  16.732  -2.468
 2108    HA   ASP 129           HA       ASP 129 -11.522  16.713  -1.909
 2109   1HB   ASP 129          2HB       ASP 129 -11.251  16.213  -4.102
 2110   2HB   ASP 129          3HB       ASP 129 -12.901  16.661  -4.506
 2111    H    ARG 130           H        ARG 130 -10.675  18.648  -1.317
 2112    HA   ARG 130           HA       ARG 130 -12.525  20.873  -1.007
 2113   1HB   ARG 130          2HB       ARG 130  -9.938  20.073   0.207
 2114   2HB   ARG 130          3HB       ARG 130 -10.207  21.801   0.026
 2115   1HG   ARG 130          2HG       ARG 130 -12.411  21.452   1.202
 2116   2HG   ARG 130          3HG       ARG 130 -11.837  19.828   1.589
 2117   1HD   ARG 130          2HD       ARG 130 -11.364  21.286   3.439
 2118   2HD   ARG 130          3HD       ARG 130  -9.849  20.835   2.665
 2119    HE   ARG 130           HE       ARG 130 -10.857  23.287   1.634
 2120   1HH1  ARG 130          1HH1      ARG 130  -9.247  21.910   4.418
 2121   2HH1  ARG 130          2HH1      ARG 130  -8.389  23.368   4.814
 2122   1HH2  ARG 130          1HH2      ARG 130  -9.743  25.227   2.148
 2123   2HH2  ARG 130          2HH2      ARG 130  -8.684  25.267   3.527
 2124    H    SER 131           H        SER 131 -12.683  21.191  -3.266
 2125    HA   SER 131           HA       SER 131 -10.824  21.389  -5.155
 2126   1HB   SER 131          2HB       SER 131 -13.033  23.422  -5.078
 2127   2HB   SER 131          3HB       SER 131 -12.375  22.554  -6.468
 2128    HG   SER 131           HG       SER 131 -13.178  20.596  -5.235
 2129    H    HIS 132           H        HIS 132  -9.098  22.507  -5.582
 2130    HA   HIS 132           HA       HIS 132  -8.422  24.858  -4.033
 2131   1HB   HIS 132          2HB       HIS 132  -6.917  23.343  -6.182
 2132   2HB   HIS 132          3HB       HIS 132  -6.266  24.732  -5.319
 2133    HD1  HIS 132           HD1      HIS 132  -5.075  21.786  -5.262
 2134    HD2  HIS 132           HD2      HIS 132  -7.451  23.543  -2.327
 2135    HE1  HIS 132           HE1      HIS 132  -4.561  20.546  -3.134
 2136    HE2  HIS 132           HE2      HIS 132  -5.851  21.765  -1.343
 2137    H    HIS 133           H        HIS 133 -10.342  25.961  -4.998
 2138    HA   HIS 133           HA       HIS 133 -10.489  26.655  -7.710
 2139   1HB   HIS 133          2HB       HIS 133 -12.302  26.795  -5.908
 2140   2HB   HIS 133          3HB       HIS 133 -11.580  28.333  -5.452
 2141    HD1  HIS 133           HD1      HIS 133 -11.951  30.342  -7.036
 2142    HD2  HIS 133           HD2      HIS 133 -13.738  26.809  -8.324
 2143    HE1  HIS 133           HE1      HIS 133 -13.514  31.006  -8.886
 2144    HE2  HIS 133           HE2      HIS 133 -14.678  28.880  -9.566
 2145    H    HIS 134           H        HIS 134  -8.925  28.272  -4.993
 2146    HA   HIS 134           HA       HIS 134  -8.294  30.563  -6.671
 2147   1HB   HIS 134          2HB       HIS 134  -9.060  30.563  -4.158
 2148   2HB   HIS 134          3HB       HIS 134  -7.345  30.315  -3.848
 2149    HD1  HIS 134           HD1      HIS 134  -6.118  32.428  -3.480
 2150    HD2  HIS 134           HD2      HIS 134  -9.365  32.943  -6.027
 2151    HE1  HIS 134           HE1      HIS 134  -6.146  34.876  -4.062
 2152    HE2  HIS 134           HE2      HIS 134  -8.000  35.119  -5.752
 2153    H    HIS 135           H        HIS 135  -6.889  27.656  -6.333
 2154    HA   HIS 135           HA       HIS 135  -4.152  28.498  -5.995
 2155   1HB   HIS 135          2HB       HIS 135  -5.240  26.155  -5.474
 2156   2HB   HIS 135          3HB       HIS 135  -4.853  25.835  -7.161
 2157    HD1  HIS 135           HD1      HIS 135  -2.464  28.008  -5.353
 2158    HD2  HIS 135           HD2      HIS 135  -2.920  23.956  -6.197
 2159    HE1  HIS 135           HE1      HIS 135  -0.242  26.952  -4.844
 2160    HE2  HIS 135           HE2      HIS 135  -0.502  24.523  -5.444
 2161    H    HIS 136           H        HIS 136  -4.590  30.149  -7.777
 2162    HA   HIS 136           HA       HIS 136  -4.462  29.149 -10.476
 2163   1HB   HIS 136          2HB       HIS 136  -4.789  31.307 -11.162
 2164   2HB   HIS 136          3HB       HIS 136  -5.406  31.455  -9.526
 2165    HD1  HIS 136           HD1      HIS 136  -3.776  32.650  -7.778
 2166    HD2  HIS 136           HD2      HIS 136  -2.662  32.931 -11.772
 2167    HE1  HIS 136           HE1      HIS 136  -2.056  34.476  -7.870
 2168    HE2  HIS 136           HE2      HIS 136  -1.585  34.787 -10.324
 2169    H    HIS 137           H        HIS 137  -2.244  30.196  -8.018
 2170    HA   HIS 137           HA       HIS 137  -0.079  28.844  -9.129
 2171   1HB   HIS 137          2HB       HIS 137  -0.357  31.257 -10.423
 2172   2HB   HIS 137          3HB       HIS 137   0.765  31.662  -9.127
 2173    HD1  HIS 137           HD1      HIS 137   2.885  31.851 -10.499
 2174    HD2  HIS 137           HD2      HIS 137   0.878  28.251 -11.069
 2175    HE1  HIS 137           HE1      HIS 137   4.428  30.419 -11.878
 2176    HE2  HIS 137           HE2      HIS 137   3.258  28.196 -12.086
  Start of MODEL    9
    1   1H    ALA   1           H1       ALA   1 -24.889 -12.034  10.830
    2   2H    ALA   1           H2       ALA   1 -24.721 -10.645  11.790
    3   3H    ALA   1           H3       ALA   1 -23.735 -10.858  10.425
    4    HA   ALA   1           HA       ALA   1 -23.716 -12.512  12.875
    5   1HB   ALA   1          1HB       ALA   1 -22.524 -12.866  10.198
    6   2HB   ALA   1          2HB       ALA   1 -21.476 -13.206  11.574
    7   3HB   ALA   1          3HB       ALA   1 -23.005 -14.068  11.397
    8    H    ASP   2           H        ASP   2 -22.691 -11.536  14.473
    9    HA   ASP   2           HA       ASP   2 -21.154  -9.135  14.007
   10   1HB   ASP   2          2HB       ASP   2 -22.070 -10.618  16.440
   11   2HB   ASP   2          3HB       ASP   2 -20.781  -9.427  16.574
   12    H    MET   3           H        MET   3 -19.688 -10.493  12.614
   13    HA   MET   3           HA       MET   3 -17.807 -12.146  14.094
   14   1HB   MET   3          2HB       MET   3 -18.775 -11.981  11.372
   15   2HB   MET   3          3HB       MET   3 -17.017 -12.037  11.414
   16   1HG   MET   3          2HG       MET   3 -17.820 -14.262  11.220
   17   2HG   MET   3          3HG       MET   3 -17.180 -14.057  12.850
   18   1HE   MET   3          1HE       MET   3 -18.435 -16.403  13.148
   19   2HE   MET   3          2HE       MET   3 -20.186 -16.577  13.258
   20   3HE   MET   3          3HE       MET   3 -19.415 -16.387  11.683
   21    H    GLY   4           H        GLY   4 -17.880  -9.069  14.133
   22   1HA   GLY   4          1HA       GLY   4 -15.554  -8.115  12.841
   23   2HA   GLY   4          2HA       GLY   4 -16.354  -7.356  14.209
   24    H    GLU   5           H        GLU   5 -16.123  -9.076  16.178
   25    HA   GLU   5           HA       GLU   5 -13.440  -8.889  17.079
   26   1HB   GLU   5          2HB       GLU   5 -14.195 -10.443  18.893
   27   2HB   GLU   5          3HB       GLU   5 -15.207  -9.020  18.698
   28   1HG   GLU   5          2HG       GLU   5 -16.776 -10.417  17.349
   29   2HG   GLU   5          3HG       GLU   5 -15.804 -11.822  17.782
   30    H    LYS   6           H        LYS   6 -15.223 -11.322  15.407
   31    HA   LYS   6           HA       LYS   6 -13.540 -13.508  15.886
   32   1HB   LYS   6          2HB       LYS   6 -15.406 -13.047  13.561
   33   2HB   LYS   6          3HB       LYS   6 -14.695 -14.594  14.002
   34   1HG   LYS   6          2HG       LYS   6 -16.227 -13.150  16.091
   35   2HG   LYS   6          3HG       LYS   6 -17.134 -13.879  14.765
   36   1HD   LYS   6          2HD       LYS   6 -16.266 -16.042  15.259
   37   2HD   LYS   6          3HD       LYS   6 -15.092 -15.377  16.397
   38   1HE   LYS   6          2HE       LYS   6 -16.583 -15.304  18.068
   39   2HE   LYS   6          3HE       LYS   6 -17.853 -14.663  17.025
   40   1HZ   LYS   6          HZ1       LYS   6 -17.283 -17.388  16.413
   41   2HZ   LYS   6          HZ2       LYS   6 -17.698 -17.206  18.047
   42   3HZ   LYS   6          HZ3       LYS   6 -18.758 -16.667  16.838
   43    H    PHE   7           H        PHE   7 -13.750 -11.541  12.862
   44    HA   PHE   7           HA       PHE   7 -11.354 -12.859  11.944
   45   1HB   PHE   7          2HB       PHE   7 -11.626 -11.324   9.921
   46   2HB   PHE   7          3HB       PHE   7 -12.857 -12.540  10.200
   47    HD1  PHE   7           HD1      PHE   7 -12.357  -9.075  11.526
   48    HD2  PHE   7           HD2      PHE   7 -14.866 -11.800   9.434
   49    HE1  PHE   7           HE1      PHE   7 -14.088  -7.340  11.347
   50    HE2  PHE   7           HE2      PHE   7 -16.601 -10.065   9.245
   51    HZ   PHE   7           HZ       PHE   7 -16.213  -7.832  10.206
   52    H    ASP   8           H        ASP   8 -12.038  -9.895  13.537
   53    HA   ASP   8           HA       ASP   8  -9.997  -8.227  12.693
   54   1HB   ASP   8          2HB       ASP   8 -11.788  -7.582  14.279
   55   2HB   ASP   8          3HB       ASP   8 -11.003  -8.536  15.530
   56    H    ALA   9           H        ALA   9  -9.871 -10.787  15.116
   57    HA   ALA   9           HA       ALA   9  -7.138 -10.338  15.813
   58   1HB   ALA   9          1HB       ALA   9  -9.115 -11.639  17.051
   59   2HB   ALA   9          2HB       ALA   9  -8.333 -13.011  16.263
   60   3HB   ALA   9          3HB       ALA   9  -7.412 -11.978  17.356
   61    H    THR  10           H        THR  10  -8.830 -12.458  13.565
   62    HA   THR  10           HA       THR  10  -6.630 -14.092  12.920
   63    HB   THR  10           HB       THR  10  -8.543 -13.761  10.745
   64    HG1  THR  10           HG1      THR  10 -10.015 -14.934  12.575
   65   1HG2  THR  10          1HG2      THR  10  -6.980 -15.767  11.878
   66   2HG2  THR  10          2HG2      THR  10  -8.639 -16.236  12.252
   67   3HG2  THR  10          3HG2      THR  10  -8.157 -15.956  10.579
   68    H    PHE  11           H        PHE  11  -7.922 -11.150  11.379
   69    HA   PHE  11           HA       PHE  11  -6.258 -11.139   9.135
   70   1HB   PHE  11          2HB       PHE  11  -8.246  -9.530   9.962
   71   2HB   PHE  11          3HB       PHE  11  -6.875  -8.513  10.393
   72    HD1  PHE  11           HD1      PHE  11  -4.997  -8.559   8.405
   73    HD2  PHE  11           HD2      PHE  11  -9.194  -9.045   7.937
   74    HE1  PHE  11           HE1      PHE  11  -4.818  -7.807   6.068
   75    HE2  PHE  11           HE2      PHE  11  -9.027  -8.293   5.600
   76    HZ   PHE  11           HZ       PHE  11  -6.832  -7.676   4.657
   77    H    LYS  12           H        LYS  12  -5.762  -9.885  12.366
   78    HA   LYS  12           HA       LYS  12  -3.209  -8.722  11.970
   79   1HB   LYS  12          2HB       LYS  12  -4.939  -8.535  13.934
   80   2HB   LYS  12          3HB       LYS  12  -4.070  -9.920  14.570
   81   1HG   LYS  12          2HG       LYS  12  -2.940  -8.227  15.589
   82   2HG   LYS  12          3HG       LYS  12  -1.974  -8.400  14.122
   83   1HD   LYS  12          2HD       LYS  12  -3.352  -6.605  13.084
   84   2HD   LYS  12          3HD       LYS  12  -4.146  -6.374  14.644
   85   1HE   LYS  12          2HE       LYS  12  -2.452  -4.739  14.536
   86   2HE   LYS  12          3HE       LYS  12  -1.836  -5.998  15.607
   87   1HZ   LYS  12          HZ1       LYS  12  -1.202  -6.139  12.742
   88   2HZ   LYS  12          HZ2       LYS  12  -0.363  -5.023  13.709
   89   3HZ   LYS  12          HZ3       LYS  12  -0.303  -6.676  14.080
   90    H    ALA  13           H        ALA  13  -4.312 -11.961  12.442
   91    HA   ALA  13           HA       ALA  13  -1.774 -13.064  13.239
   92   1HB   ALA  13          1HB       ALA  13  -4.295 -14.401  12.259
   93   2HB   ALA  13          2HB       ALA  13  -2.875 -15.246  12.879
   94   3HB   ALA  13          3HB       ALA  13  -3.798 -14.179  13.939
   95    H    GLN  14           H        GLN  14  -3.696 -12.991  10.259
   96    HA   GLN  14           HA       GLN  14  -1.851 -14.552   8.769
   97   1HB   GLN  14          2HB       GLN  14  -4.201 -12.833   8.038
   98   2HB   GLN  14          3HB       GLN  14  -3.167 -13.493   6.777
   99   1HG   GLN  14          2HG       GLN  14  -3.565 -15.758   7.819
  100   2HG   GLN  14          3HG       GLN  14  -4.815 -14.989   8.791
  101   1HE2  GLN  14          1HE2      GLN  14  -3.838 -14.926   5.366
  102   2HE2  GLN  14          2HE2      GLN  14  -5.433 -15.191   4.736
  103    H    VAL  15           H        VAL  15  -2.534 -11.054   8.720
  104    HA   VAL  15           HA       VAL  15  -0.598 -10.353   6.851
  105    HB   VAL  15           HB       VAL  15  -2.150  -8.892   8.892
  106   1HG1  VAL  15          1HG1      VAL  15   0.146  -8.078   9.369
  107   2HG1  VAL  15          2HG1      VAL  15   0.281  -7.575   7.682
  108   3HG1  VAL  15          3HG1      VAL  15  -0.922  -6.826   8.734
  109   1HG2  VAL  15          1HG2      VAL  15  -1.474  -8.442   5.988
  110   2HG2  VAL  15          2HG2      VAL  15  -2.979  -9.073   6.653
  111   3HG2  VAL  15          3HG2      VAL  15  -2.527  -7.393   6.934
  112    H    LYS  16           H        LYS  16  -0.276 -10.913  10.297
  113    HA   LYS  16           HA       LYS  16   2.319  -9.875  10.660
  114   1HB   LYS  16          2HB       LYS  16   0.552 -10.746  12.385
  115   2HB   LYS  16          3HB       LYS  16   1.371 -12.285  12.158
  116   1HG   LYS  16          2HG       LYS  16   2.785 -11.628  13.734
  117   2HG   LYS  16          3HG       LYS  16   3.434 -10.493  12.547
  118   1HD   LYS  16          2HD       LYS  16   2.052  -8.737  13.341
  119   2HD   LYS  16          3HD       LYS  16   1.094  -9.848  14.324
  120   1HE   LYS  16          2HE       LYS  16   4.036  -9.503  14.779
  121   2HE   LYS  16          3HE       LYS  16   2.865  -8.394  15.490
  122   1HZ   LYS  16          HZ1       LYS  16   1.777 -10.330  16.524
  123   2HZ   LYS  16          HZ2       LYS  16   3.001 -11.336  15.915
  124   3HZ   LYS  16          HZ3       LYS  16   3.379 -10.127  17.046
  125    H    ALA  17           H        ALA  17   1.156 -12.983   9.511
  126    HA   ALA  17           HA       ALA  17   3.606 -14.373   9.611
  127   1HB   ALA  17          1HB       ALA  17   1.403 -15.462   9.373
  128   2HB   ALA  17          2HB       ALA  17   1.304 -14.844   7.724
  129   3HB   ALA  17          3HB       ALA  17   2.566 -15.997   8.158
  130    H    ALA  18           H        ALA  18   2.338 -12.055   7.370
  131    HA   ALA  18           HA       ALA  18   4.078 -12.642   5.184
  132   1HB   ALA  18          1HB       ALA  18   1.892 -11.141   5.362
  133   2HB   ALA  18          2HB       ALA  18   3.095  -9.873   5.587
  134   3HB   ALA  18          3HB       ALA  18   3.122 -10.865   4.131
  135    H    LYS  19           H        LYS  19   4.329 -10.755   8.116
  136    HA   LYS  19           HA       LYS  19   6.828  -9.492   7.433
  137   1HB   LYS  19          2HB       LYS  19   5.274  -9.759  10.008
  138   2HB   LYS  19          3HB       LYS  19   6.828  -8.944   9.907
  139   1HG   LYS  19          2HG       LYS  19   5.915  -7.090   9.084
  140   2HG   LYS  19          3HG       LYS  19   4.946  -7.987   7.915
  141   1HD   LYS  19          2HD       LYS  19   3.475  -6.800   9.413
  142   2HD   LYS  19          3HD       LYS  19   3.343  -8.530   9.727
  143   1HE   LYS  19          2HE       LYS  19   3.466  -7.636  11.861
  144   2HE   LYS  19          3HE       LYS  19   5.137  -8.095  11.540
  145   1HZ   LYS  19          HZ1       LYS  19   4.332  -5.386  10.808
  146   2HZ   LYS  19          HZ2       LYS  19   4.475  -5.724  12.464
  147   3HZ   LYS  19          HZ3       LYS  19   5.809  -5.948  11.437
  148    H    ALA  20           H        ALA  20   5.762 -12.475   8.613
  149    HA   ALA  20           HA       ALA  20   8.144 -13.183  10.075
  150   1HB   ALA  20          1HB       ALA  20   5.609 -14.078  10.197
  151   2HB   ALA  20          2HB       ALA  20   6.338 -15.338   9.199
  152   3HB   ALA  20          3HB       ALA  20   6.998 -14.986  10.797
  153    H    ASP  21           H        ASP  21   7.102 -13.345   6.807
  154    HA   ASP  21           HA       ASP  21   8.717 -15.556   6.012
  155   1HB   ASP  21          2HB       ASP  21   6.631 -14.703   4.838
  156   2HB   ASP  21          3HB       ASP  21   7.629 -13.402   4.196
  157    H    MET  22           H        MET  22   9.453 -12.292   6.654
  158    HA   MET  22           HA       MET  22  11.965 -12.545   5.139
  159   1HB   MET  22          2HB       MET  22  10.019 -10.349   5.341
  160   2HB   MET  22          3HB       MET  22  11.694  -9.856   5.546
  161   1HG   MET  22          2HG       MET  22  11.303  -9.612   3.274
  162   2HG   MET  22          3HG       MET  22  12.153 -11.152   3.399
  163   1HE   MET  22          1HE       MET  22   8.702 -10.345   4.520
  164   2HE   MET  22          2HE       MET  22   8.241  -9.732   2.931
  165   3HE   MET  22          3HE       MET  22   7.618 -11.284   3.494
  166    H    VAL  23           H        VAL  23  13.538 -10.734   6.060
  167    HA   VAL  23           HA       VAL  23  13.919 -11.354   8.886
  168    HB   VAL  23           HB       VAL  23  15.715  -9.641   7.170
  169   1HG1  VAL  23          1HG1      VAL  23  16.225 -11.289   9.643
  170   2HG1  VAL  23          2HG1      VAL  23  17.444 -10.379   8.751
  171   3HG1  VAL  23          3HG1      VAL  23  16.126  -9.530   9.556
  172   1HG2  VAL  23          1HG2      VAL  23  15.119 -12.256   6.568
  173   2HG2  VAL  23          2HG2      VAL  23  16.577 -11.390   6.085
  174   3HG2  VAL  23          3HG2      VAL  23  16.588 -12.393   7.533
  175    H    MET  24           H        MET  24  12.693 -10.111  10.173
  176    HA   MET  24           HA       MET  24  11.855  -7.482   9.461
  177   1HB   MET  24          2HB       MET  24  11.437  -9.355  11.695
  178   2HB   MET  24          3HB       MET  24  11.364  -7.658  12.143
  179   1HG   MET  24          2HG       MET  24   9.322  -9.197  11.079
  180   2HG   MET  24          3HG       MET  24   9.338  -7.449  11.292
  181   1HE   MET  24          1HE       MET  24   8.529  -6.202   9.893
  182   2HE   MET  24          2HE       MET  24   8.964  -5.971   8.201
  183   3HE   MET  24          3HE       MET  24   7.622  -7.032   8.629
  184    H    LEU  25           H        LEU  25  13.473  -6.031   9.239
  185    HA   LEU  25           HA       LEU  25  15.346  -5.740  11.489
  186   1HB   LEU  25          2HB       LEU  25  15.748  -5.951   8.664
  187   2HB   LEU  25          3HB       LEU  25  16.289  -4.371   9.195
  188    HG   LEU  25           HG       LEU  25  17.399  -7.060   9.821
  189   1HD1  LEU  25          1HD1      LEU  25  18.441  -4.358   9.052
  190   2HD1  LEU  25          2HD1      LEU  25  19.508  -5.604   9.702
  191   3HD1  LEU  25          3HD1      LEU  25  18.613  -5.900   8.210
  192   1HD2  LEU  25          1HD2      LEU  25  16.754  -6.031  12.019
  193   2HD2  LEU  25          2HD2      LEU  25  18.478  -6.340  11.818
  194   3HD2  LEU  25          3HD2      LEU  25  17.851  -4.701  11.641
  195    H    SER  26           H        SER  26  15.744  -3.773  12.335
  196    HA   SER  26           HA       SER  26  13.767  -1.708  11.908
  197   1HB   SER  26          2HB       SER  26  15.870  -0.830  13.627
  198   2HB   SER  26          3HB       SER  26  14.229  -1.304  14.069
  199    HG   SER  26           HG       SER  26  14.896  -3.336  14.484
  200    HA   PRO  27           HA       PRO  27  15.851   0.557   8.755
  201   1HB   PRO  27          2HB       PRO  27  15.251   3.123   9.712
  202   2HB   PRO  27          3HB       PRO  27  14.268   2.155   8.613
  203   1HG   PRO  27          2HG       PRO  27  14.047   2.478  11.572
  204   2HG   PRO  27          3HG       PRO  27  12.762   2.357  10.355
  205   1HD   PRO  27          2HD       PRO  27  13.339   0.271  11.877
  206   2HD   PRO  27          3HD       PRO  27  13.018   0.037  10.151
  207    H    LYS  28           H        LYS  28  16.745   0.931  12.071
  208    HA   LYS  28           HA       LYS  28  18.919   2.757  11.625
  209   1HB   LYS  28          2HB       LYS  28  17.838   1.214  13.895
  210   2HB   LYS  28          3HB       LYS  28  19.577   1.469  13.928
  211   1HG   LYS  28          2HG       LYS  28  18.782   3.961  13.360
  212   2HG   LYS  28          3HG       LYS  28  17.370   3.395  14.256
  213   1HD   LYS  28          2HD       LYS  28  20.194   3.130  15.273
  214   2HD   LYS  28          3HD       LYS  28  19.161   4.514  15.636
  215   1HE   LYS  28          2HE       LYS  28  17.852   1.962  16.127
  216   2HE   LYS  28          3HE       LYS  28  19.319   2.167  17.080
  217   1HZ   LYS  28          HZ1       LYS  28  17.323   4.333  16.951
  218   2HZ   LYS  28          HZ2       LYS  28  17.084   3.024  17.999
  219   3HZ   LYS  28          HZ3       LYS  28  18.461   3.997  18.165
  220    H    ASP  29           H        ASP  29  18.582  -0.748  12.019
  221    HA   ASP  29           HA       ASP  29  21.382  -1.223  11.455
  222   1HB   ASP  29          2HB       ASP  29  19.559  -2.690  12.818
  223   2HB   ASP  29          3HB       ASP  29  19.482  -3.481  11.241
  224    H    ALA  30           H        ALA  30  18.328  -1.250   9.798
  225    HA   ALA  30           HA       ALA  30  19.126  -2.583   7.450
  226   1HB   ALA  30          1HB       ALA  30  16.754  -1.999   8.186
  227   2HB   ALA  30          2HB       ALA  30  17.059  -0.408   7.485
  228   3HB   ALA  30          3HB       ALA  30  17.132  -1.849   6.468
  229    H    TYR  31           H        TYR  31  19.265   0.798   8.424
  230    HA   TYR  31           HA       TYR  31  20.308   1.718   5.913
  231   1HB   TYR  31          HB2       TYR  31  19.126   3.312   7.245
  232   2HB   TYR  31          HB3       TYR  31  20.132   2.988   8.648
  233    HD1  TYR  31           HD1      TYR  31  20.359   4.225   5.150
  234    HD2  TYR  31           HD2      TYR  31  21.926   4.411   9.097
  235    HE1  TYR  31           HE1      TYR  31  21.841   6.051   4.462
  236    HE2  TYR  31           HE2      TYR  31  23.420   6.245   8.421
  237    HH   TYR  31           HH       TYR  31  23.256   7.648   5.173
  238    H    LYS  32           H        LYS  32  21.630   0.554   8.935
  239    HA   LYS  32           HA       LYS  32  24.251   1.445   8.734
  240   1HB   LYS  32          2HB       LYS  32  23.780   0.501  10.782
  241   2HB   LYS  32          3HB       LYS  32  22.901  -0.849  10.081
  242   1HG   LYS  32          2HG       LYS  32  25.644  -1.006   9.303
  243   2HG   LYS  32          3HG       LYS  32  25.535  -0.806  11.053
  244   1HD   LYS  32          2HD       LYS  32  23.577  -2.639  10.593
  245   2HD   LYS  32          3HD       LYS  32  24.759  -3.072   9.355
  246   1HE   LYS  32          2HE       LYS  32  25.503  -4.335  11.117
  247   2HE   LYS  32          3HE       LYS  32  26.453  -2.866  11.340
  248   1HZ   LYS  32          HZ1       LYS  32  23.846  -3.233  12.693
  249   2HZ   LYS  32          HZ2       LYS  32  25.285  -3.839  13.360
  250   3HZ   LYS  32          HZ3       LYS  32  25.113  -2.175  13.093
  251    H    LEU  33           H        LEU  33  22.876  -1.641   7.559
  252    HA   LEU  33           HA       LEU  33  25.317  -2.377   6.246
  253   1HB   LEU  33          2HB       LEU  33  23.547  -3.973   5.039
  254   2HB   LEU  33          3HB       LEU  33  24.219  -4.307   6.620
  255    HG   LEU  33           HG       LEU  33  21.988  -2.791   7.210
  256   1HD1  LEU  33          1HD1      LEU  33  21.477  -3.209   4.685
  257   2HD1  LEU  33          2HD1      LEU  33  21.010  -4.815   5.248
  258   3HD1  LEU  33          3HD1      LEU  33  20.201  -3.385   5.891
  259   1HD2  LEU  33          1HD2      LEU  33  22.817  -5.607   7.358
  260   2HD2  LEU  33          2HD2      LEU  33  22.181  -4.540   8.610
  261   3HD2  LEU  33          3HD2      LEU  33  21.079  -5.327   7.480
  262    H    LEU  34           H        LEU  34  22.491  -0.578   5.391
  263    HA   LEU  34           HA       LEU  34  22.634  -0.714   2.590
  264   1HB   LEU  34          2HB       LEU  34  21.248   0.843   4.587
  265   2HB   LEU  34          3HB       LEU  34  21.760   1.863   3.258
  266    HG   LEU  34           HG       LEU  34  20.303  -0.686   2.691
  267   1HD1  LEU  34          1HD1      LEU  34  19.261   1.602   4.142
  268   2HD1  LEU  34          2HD1      LEU  34  18.378   1.291   2.646
  269   3HD1  LEU  34          3HD1      LEU  34  18.541   0.017   3.857
  270   1HD2  LEU  34          1HD2      LEU  34  20.836   1.909   1.313
  271   2HD2  LEU  34          2HD2      LEU  34  21.040   0.261   0.721
  272   3HD2  LEU  34          3HD2      LEU  34  19.424   0.952   0.867
  273    H    GLN  35           H        GLN  35  23.963   1.676   4.864
  274    HA   GLN  35           HA       GLN  35  25.302   3.109   2.784
  275   1HB   GLN  35          2HB       GLN  35  26.096   4.561   4.479
  276   2HB   GLN  35          3HB       GLN  35  24.457   4.114   4.930
  277   1HG   GLN  35          2HG       GLN  35  25.184   3.432   6.896
  278   2HG   GLN  35          3HG       GLN  35  26.220   2.242   6.108
  279   1HE2  GLN  35          1HE2      GLN  35  27.914   2.437   7.500
  280   2HE2  GLN  35          2HE2      GLN  35  28.883   3.862   7.629
  281    H    GLU  36           H        GLU  36  26.169   0.483   4.908
  282    HA   GLU  36           HA       GLU  36  28.989   0.796   4.601
  283   1HB   GLU  36          2HB       GLU  36  27.181  -0.887   6.081
  284   2HB   GLU  36          3HB       GLU  36  28.417  -1.871   5.308
  285   1HG   GLU  36          2HG       GLU  36  29.168   0.574   6.850
  286   2HG   GLU  36          3HG       GLU  36  28.831  -0.947   7.678
  287    H    ASN  37           H        ASN  37  26.477  -0.960   2.922
  288    HA   ASN  37           HA       ASN  37  28.521  -2.071   1.108
  289   1HB   ASN  37          2HB       ASN  37  25.942  -3.204   2.140
  290   2HB   ASN  37          3HB       ASN  37  26.598  -3.748   0.601
  291   1HD2  ASN  37          1HD2      ASN  37  26.420  -4.481   3.736
  292   2HD2  ASN  37          2HD2      ASN  37  27.880  -5.394   3.931
  293    HA   PRO  38           HA       PRO  38  26.457   0.698  -1.769
  294   1HB   PRO  38          2HB       PRO  38  28.427  -0.358  -3.671
  295   2HB   PRO  38          3HB       PRO  38  28.195   1.296  -3.100
  296   1HG   PRO  38          2HG       PRO  38  30.327  -0.176  -2.369
  297   2HG   PRO  38          3HG       PRO  38  29.577   1.001  -1.275
  298   1HD   PRO  38          2HD       PRO  38  29.277  -1.981  -1.347
  299   2HD   PRO  38          3HD       PRO  38  29.469  -0.903   0.054
  300    H    ASP  39           H        ASP  39  26.468  -2.617  -1.677
  301    HA   ASP  39           HA       ASP  39  25.038  -2.879  -4.226
  302   1HB   ASP  39          2HB       ASP  39  26.902  -4.587  -2.847
  303   2HB   ASP  39          3HB       ASP  39  25.372  -5.431  -3.067
  304    H    ILE  40           H        ILE  40  24.651  -2.796  -0.843
  305    HA   ILE  40           HA       ILE  40  22.147  -4.213  -0.757
  306    HB   ILE  40           HB       ILE  40  23.388  -2.302   1.231
  307   1HG1  ILE  40          2HG1      ILE  40  23.732  -5.128   0.654
  308   2HG1  ILE  40          3HG1      ILE  40  24.680  -4.080   1.697
  309   1HG2  ILE  40          1HG2      ILE  40  20.874  -2.406   1.276
  310   2HG2  ILE  40          2HG2      ILE  40  21.026  -4.112   1.697
  311   3HG2  ILE  40          3HG2      ILE  40  21.674  -2.877   2.775
  312   1HD1  ILE  40          1HD1      ILE  40  22.510  -4.489   3.249
  313   2HD1  ILE  40          2HD1      ILE  40  22.572  -6.008   2.358
  314   3HD1  ILE  40          3HD1      ILE  40  23.968  -5.479   3.293
  315    H    THR  41           H        THR  41  20.426  -3.456  -1.696
  316    HA   THR  41           HA       THR  41  20.145  -0.551  -2.037
  317    HB   THR  41           HB       THR  41  18.380  -2.435  -3.513
  318    HG1  THR  41           HG1      THR  41  20.995  -2.826  -3.500
  319   1HG2  THR  41          1HG2      THR  41  18.772   0.240  -3.609
  320   2HG2  THR  41          2HG2      THR  41  19.878  -0.292  -4.876
  321   3HG2  THR  41          3HG2      THR  41  18.168  -0.715  -4.963
  322    H    LEU  42           H        LEU  42  18.316   0.526  -1.342
  323    HA   LEU  42           HA       LEU  42  16.390  -1.076   0.193
  324   1HB   LEU  42          2HB       LEU  42  17.410   0.637   1.562
  325   2HB   LEU  42          3HB       LEU  42  17.072   1.865   0.356
  326    HG   LEU  42           HG       LEU  42  14.572   1.187   0.793
  327   1HD1  LEU  42          1HD1      LEU  42  16.058  -0.035   3.054
  328   2HD1  LEU  42          2HD1      LEU  42  14.522   0.764   3.397
  329   3HD1  LEU  42          3HD1      LEU  42  14.585  -0.569   2.243
  330   1HD2  LEU  42          1HD2      LEU  42  15.903   3.337   1.358
  331   2HD2  LEU  42          2HD2      LEU  42  14.362   3.033   2.160
  332   3HD2  LEU  42          3HD2      LEU  42  15.878   2.710   3.008
  333    H    ILE  43           H        ILE  43  14.520  -1.416  -0.741
  334    HA   ILE  43           HA       ILE  43  13.660   0.418  -2.871
  335    HB   ILE  43           HB       ILE  43  13.146  -2.497  -2.409
  336   1HG1  ILE  43          2HG1      ILE  43  13.338  -2.146  -5.070
  337   2HG1  ILE  43          3HG1      ILE  43  14.228  -0.726  -4.524
  338   1HG2  ILE  43          1HG2      ILE  43  11.123  -0.605  -3.223
  339   2HG2  ILE  43          2HG2      ILE  43  11.464  -1.760  -4.511
  340   3HG2  ILE  43          3HG2      ILE  43  10.982  -2.336  -2.916
  341   1HD1  ILE  43          1HD1      ILE  43  14.822  -3.569  -3.750
  342   2HD1  ILE  43          2HD1      ILE  43  15.700  -2.613  -4.943
  343   3HD1  ILE  43          3HD1      ILE  43  15.721  -2.140  -3.246
  344    H    ASP  44           H        ASP  44  12.298   1.877  -2.204
  345    HA   ASP  44           HA       ASP  44  10.569   1.257   0.082
  346   1HB   ASP  44          2HB       ASP  44  11.720   3.228   0.581
  347   2HB   ASP  44          3HB       ASP  44  11.631   3.814  -1.078
  348    H    VAL  45           H        VAL  45   8.396   1.394  -0.047
  349    HA   VAL  45           HA       VAL  45   7.279   2.198  -2.648
  350    HB   VAL  45           HB       VAL  45   5.328   0.569  -1.918
  351   1HG1  VAL  45          1HG1      VAL  45   7.882  -0.380  -3.207
  352   2HG1  VAL  45          2HG1      VAL  45   6.316  -1.179  -3.327
  353   3HG1  VAL  45          3HG1      VAL  45   6.539   0.428  -4.017
  354   1HG2  VAL  45          1HG2      VAL  45   7.614  -0.277  -0.257
  355   2HG2  VAL  45          2HG2      VAL  45   5.882  -0.503  -0.008
  356   3HG2  VAL  45          3HG2      VAL  45   6.760  -1.565  -1.107
  357    H    ARG  46           H        ARG  46   6.826   4.218  -1.970
  358    HA   ARG  46           HA       ARG  46   4.545   4.473  -0.180
  359   1HB   ARG  46          2HB       ARG  46   7.189   5.863   0.171
  360   2HB   ARG  46          3HB       ARG  46   5.701   6.611   0.728
  361   1HG   ARG  46          2HG       ARG  46   6.274   3.818   1.568
  362   2HG   ARG  46          3HG       ARG  46   7.182   5.132   2.321
  363   1HD   ARG  46          2HD       ARG  46   4.201   5.271   2.112
  364   2HD   ARG  46          3HD       ARG  46   4.962   4.335   3.398
  365    HE   ARG  46           HE       ARG  46   6.212   6.649   3.690
  366   1HH1  ARG  46          1HH1      ARG  46   2.821   6.020   3.123
  367   2HH1  ARG  46          2HH1      ARG  46   2.274   7.423   3.989
  368   1HH2  ARG  46          1HH2      ARG  46   5.504   8.513   4.842
  369   2HH2  ARG  46          2HH2      ARG  46   3.800   8.859   4.952
  370    H    ASP  47           H        ASP  47   3.333   6.364  -0.558
  371    HA   ASP  47           HA       ASP  47   3.288   7.011  -3.323
  372   1HB   ASP  47          2HB       ASP  47   1.579   8.208  -1.131
  373   2HB   ASP  47          3HB       ASP  47   1.188   8.084  -2.844
  374    HA   PRO  48           HA       PRO  48   5.833  10.477  -3.544
  375   1HB   PRO  48          2HB       PRO  48   4.401  11.976  -5.411
  376   2HB   PRO  48          3HB       PRO  48   5.560  10.695  -5.778
  377   1HG   PRO  48          2HG       PRO  48   2.583  10.583  -5.651
  378   2HG   PRO  48          3HG       PRO  48   3.696   9.760  -6.761
  379   1HD   PRO  48          2HD       PRO  48   2.540   8.451  -4.737
  380   2HD   PRO  48          3HD       PRO  48   4.219   8.112  -5.210
  381    H    ASP  49           H        ASP  49   2.447  11.069  -2.846
  382    HA   ASP  49           HA       ASP  49   2.870  13.844  -2.218
  383   1HB   ASP  49          2HB       ASP  49   0.641  12.434  -2.830
  384   2HB   ASP  49          3HB       ASP  49   0.494  12.521  -1.077
  385    H    GLU  50           H        GLU  50   2.662  10.835  -0.364
  386    HA   GLU  50           HA       GLU  50   2.879  12.163   2.171
  387   1HB   GLU  50          2HB       GLU  50   2.817   9.358   1.212
  388   2HB   GLU  50          3HB       GLU  50   3.684   9.645   2.715
  389   1HG   GLU  50          2HG       GLU  50   1.234  11.057   2.852
  390   2HG   GLU  50          3HG       GLU  50   0.886   9.423   2.291
  391    H    LEU  51           H        LEU  51   5.043  10.677  -0.171
  392    HA   LEU  51           HA       LEU  51   7.461  10.817   1.266
  393   1HB   LEU  51          2HB       LEU  51   6.625  10.121  -1.325
  394   2HB   LEU  51          3HB       LEU  51   7.795  11.407  -1.543
  395    HG   LEU  51           HG       LEU  51   9.424  10.109  -0.198
  396   1HD1  LEU  51          1HD1      LEU  51   7.273   8.710   0.699
  397   2HD1  LEU  51          2HD1      LEU  51   7.936   7.606  -0.506
  398   3HD1  LEU  51          3HD1      LEU  51   8.949   8.171   0.823
  399   1HD2  LEU  51          1HD2      LEU  51   8.549   9.684  -2.837
  400   2HD2  LEU  51          2HD2      LEU  51  10.144   9.366  -2.154
  401   3HD2  LEU  51          3HD2      LEU  51   8.918   8.099  -2.159
  402    H    LYS  52           H        LYS  52   5.619  13.161  -0.504
  403    HA   LYS  52           HA       LYS  52   7.635  15.212  -0.467
  404   1HB   LYS  52          2HB       LYS  52   5.062  14.859  -1.656
  405   2HB   LYS  52          3HB       LYS  52   5.047  16.362  -0.745
  406   1HG   LYS  52          2HG       LYS  52   5.997  17.318  -2.503
  407   2HG   LYS  52          3HG       LYS  52   7.462  16.422  -2.102
  408   1HD   LYS  52          2HD       LYS  52   7.063  15.911  -4.352
  409   2HD   LYS  52          3HD       LYS  52   6.451  14.511  -3.469
  410   1HE   LYS  52          2HE       LYS  52   4.264  15.000  -3.929
  411   2HE   LYS  52          3HE       LYS  52   4.565  16.733  -4.054
  412   1HZ   LYS  52          HZ1       LYS  52   5.990  15.576  -6.113
  413   2HZ   LYS  52          HZ2       LYS  52   4.496  14.774  -6.108
  414   3HZ   LYS  52          HZ3       LYS  52   4.549  16.464  -6.237
  415    H    ALA  53           H        ALA  53   4.846  14.331   1.490
  416    HA   ALA  53           HA       ALA  53   4.903  16.709   3.054
  417   1HB   ALA  53          1HB       ALA  53   3.429  14.110   3.292
  418   2HB   ALA  53          2HB       ALA  53   3.279  15.386   4.501
  419   3HB   ALA  53          3HB       ALA  53   2.812  15.695   2.830
  420    H    MET  54           H        MET  54   5.800  13.329   3.805
  421    HA   MET  54           HA       MET  54   6.889  14.271   6.356
  422   1HB   MET  54          2HB       MET  54   6.167  11.557   5.278
  423   2HB   MET  54          3HB       MET  54   7.115  11.735   6.746
  424   1HG   MET  54          2HG       MET  54   4.905  13.437   7.038
  425   2HG   MET  54          3HG       MET  54   4.284  11.926   6.374
  426   1HE   MET  54          1HE       MET  54   2.837  11.790   8.406
  427   2HE   MET  54          2HE       MET  54   3.391  10.130   8.183
  428   3HE   MET  54          3HE       MET  54   3.343  10.835   9.800
  429    H    GLY  55           H        GLY  55   7.900  12.685   3.397
  430   1HA   GLY  55          1HA       GLY  55  10.184  13.412   2.702
  431   2HA   GLY  55          2HA       GLY  55  10.693  12.902   4.303
  432    H    LYS  56           H        LYS  56  12.109  11.812   2.478
  433    HA   LYS  56           HA       LYS  56  11.224   9.024   2.418
  434   1HB   LYS  56          2HB       LYS  56  11.998   8.723   0.117
  435   2HB   LYS  56          3HB       LYS  56  10.714   9.921   0.177
  436   1HG   LYS  56          2HG       LYS  56  12.999  11.438   0.424
  437   2HG   LYS  56          3HG       LYS  56  13.466  10.173  -0.715
  438   1HD   LYS  56          2HD       LYS  56  12.246  11.079  -2.346
  439   2HD   LYS  56          3HD       LYS  56  10.831  11.207  -1.301
  440   1HE   LYS  56          2HE       LYS  56  12.884  13.138  -0.618
  441   2HE   LYS  56          3HE       LYS  56  12.349  13.299  -2.289
  442   1HZ   LYS  56          HZ1       LYS  56  10.367  13.077  -0.119
  443   2HZ   LYS  56          HZ2       LYS  56  11.092  14.571  -0.461
  444   3HZ   LYS  56          HZ3       LYS  56  10.197  13.766  -1.656
  445    HA   PRO  57           HA       PRO  57  15.252   8.268   3.955
  446   1HB   PRO  57          2HB       PRO  57  16.013   6.021   2.512
  447   2HB   PRO  57          3HB       PRO  57  15.059   6.018   4.000
  448   1HG   PRO  57          2HG       PRO  57  14.171   5.753   1.170
  449   2HG   PRO  57          3HG       PRO  57  13.494   5.019   2.635
  450   1HD   PRO  57          2HD       PRO  57  12.331   7.116   1.368
  451   2HD   PRO  57          3HD       PRO  57  12.217   6.870   3.122
  452    H    ASP  58           H        ASP  58  16.988   9.408   3.530
  453    HA   ASP  58           HA       ASP  58  17.918   9.807   0.794
  454   1HB   ASP  58          2HB       ASP  58  17.826  11.686   2.509
  455   2HB   ASP  58          3HB       ASP  58  19.139  10.871   3.353
  456    H    VAL  59           H        VAL  59  18.729   7.829   0.208
  457    HA   VAL  59           HA       VAL  59  21.070   6.894   1.724
  458    HB   VAL  59           HB       VAL  59  20.173   4.595   0.546
  459   1HG1  VAL  59          1HG1      VAL  59  20.886   5.240   2.975
  460   2HG1  VAL  59          2HG1      VAL  59  19.143   5.267   3.254
  461   3HG1  VAL  59          3HG1      VAL  59  19.921   3.794   2.676
  462   1HG2  VAL  59          1HG2      VAL  59  17.950   6.276   0.455
  463   2HG2  VAL  59          2HG2      VAL  59  17.984   4.527   0.221
  464   3HG2  VAL  59          3HG2      VAL  59  17.669   5.196   1.821
  465    H    LYS  60           H        LYS  60  22.703   5.893   0.480
  466    HA   LYS  60           HA       LYS  60  23.145   7.092  -2.035
  467   1HB   LYS  60          2HB       LYS  60  24.892   4.945  -1.930
  468   2HB   LYS  60          3HB       LYS  60  25.214   6.575  -1.363
  469   1HG   LYS  60          2HG       LYS  60  24.745   6.008   0.865
  470   2HG   LYS  60          3HG       LYS  60  23.962   4.495   0.400
  471   1HD   LYS  60          2HD       LYS  60  25.902   3.453   0.675
  472   2HD   LYS  60          3HD       LYS  60  26.570   4.406  -0.651
  473   1HE   LYS  60          2HE       LYS  60  26.666   6.173   1.432
  474   2HE   LYS  60          3HE       LYS  60  26.992   4.639   2.238
  475   1HZ   LYS  60          HZ1       LYS  60  28.454   5.627  -0.154
  476   2HZ   LYS  60          HZ2       LYS  60  29.010   5.777   1.440
  477   3HZ   LYS  60          HZ3       LYS  60  28.815   4.239   0.754
  478    H    ASN  61           H        ASN  61  21.920   3.963  -1.081
  479    HA   ASN  61           HA       ASN  61  21.569   3.284  -3.922
  480   1HB   ASN  61          2HB       ASN  61  22.937   1.836  -2.028
  481   2HB   ASN  61          3HB       ASN  61  21.348   1.078  -2.007
  482   1HD2  ASN  61          1HD2      ASN  61  22.648  -0.741  -2.776
  483   2HD2  ASN  61          2HD2      ASN  61  22.910  -0.898  -4.477
  484    H    TYR  62           H        TYR  62  19.655   4.757  -3.486
  485    HA   TYR  62           HA       TYR  62  17.451   3.327  -2.190
  486   1HB   TYR  62          HB2       TYR  62  17.941   5.555  -1.321
  487   2HB   TYR  62          HB3       TYR  62  17.820   6.235  -2.937
  488    HD1  TYR  62           HD1      TYR  62  15.534   3.753  -1.379
  489    HD2  TYR  62           HD2      TYR  62  16.081   7.765  -2.673
  490    HE1  TYR  62           HE1      TYR  62  13.142   4.189  -1.020
  491    HE2  TYR  62           HE2      TYR  62  13.692   8.216  -2.316
  492    HH   TYR  62           HH       TYR  62  11.509   5.743  -1.016
  493    H    LYS  63           H        LYS  63  15.944   2.375  -3.498
  494    HA   LYS  63           HA       LYS  63  15.504   3.603  -6.127
  495   1HB   LYS  63          2HB       LYS  63  15.458   0.657  -5.421
  496   2HB   LYS  63          3HB       LYS  63  14.898   1.324  -6.944
  497   1HG   LYS  63          2HG       LYS  63  17.241   2.296  -7.162
  498   2HG   LYS  63          3HG       LYS  63  17.688   1.153  -5.900
  499   1HD   LYS  63          2HD       LYS  63  16.442  -0.557  -7.459
  500   2HD   LYS  63          3HD       LYS  63  16.786   0.648  -8.701
  501   1HE   LYS  63          2HE       LYS  63  19.051  -0.049  -6.956
  502   2HE   LYS  63          3HE       LYS  63  18.468  -1.354  -7.986
  503   1HZ   LYS  63          HZ1       LYS  63  18.703   1.089  -9.437
  504   2HZ   LYS  63          HZ2       LYS  63  20.174   0.676  -8.699
  505   3HZ   LYS  63          HZ3       LYS  63  19.414  -0.419  -9.747
  506    H    HIS  64           H        HIS  64  13.614   4.637  -5.943
  507    HA   HIS  64           HA       HIS  64  11.547   3.566  -4.187
  508   1HB   HIS  64          2HB       HIS  64  12.042   5.945  -3.994
  509   2HB   HIS  64          3HB       HIS  64  11.771   6.174  -5.715
  510    HD1  HIS  64           HD1      HIS  64   9.844   7.789  -5.565
  511    HD2  HIS  64           HD2      HIS  64   9.194   4.301  -3.393
  512    HE1  HIS  64           HE1      HIS  64   7.428   7.855  -4.871
  513    HE2  HIS  64           HE2      HIS  64   7.154   5.890  -3.338
  514    H    MET  65           H        MET  65  10.145   2.149  -5.032
  515    HA   MET  65           HA       MET  65   9.562   2.285  -7.898
  516   1HB   MET  65          2HB       MET  65  10.093   0.139  -6.124
  517   2HB   MET  65          3HB       MET  65   8.404   0.001  -6.594
  518   1HG   MET  65          2HG       MET  65   8.984  -0.843  -8.548
  519   2HG   MET  65          3HG       MET  65   9.952   0.584  -8.909
  520   1HE   MET  65          1HE       MET  65  11.798   0.783  -6.853
  521   2HE   MET  65          2HE       MET  65  12.742  -0.595  -6.283
  522   3HE   MET  65          3HE       MET  65  13.180   0.212  -7.790
  523    H    SER  66           H        SER  66   7.253   1.539  -8.405
  524    HA   SER  66           HA       SER  66   5.382   3.264  -7.059
  525   1HB   SER  66          2HB       SER  66   4.299   1.260  -8.912
  526   2HB   SER  66          3HB       SER  66   4.157   3.019  -8.948
  527    HG   SER  66           HG       SER  66   5.519   2.882 -10.547
  528    H    ARG  67           H        ARG  67   3.199   2.235  -6.365
  529    HA   ARG  67           HA       ARG  67   3.900   0.197  -4.434
  530   1HB   ARG  67          2HB       ARG  67   1.610   2.066  -4.816
  531   2HB   ARG  67          3HB       ARG  67   1.338   0.612  -3.865
  532   1HG   ARG  67          2HG       ARG  67   2.056   1.825  -2.143
  533   2HG   ARG  67          3HG       ARG  67   3.670   1.560  -2.804
  534   1HD   ARG  67          2HD       ARG  67   1.973   3.854  -3.720
  535   2HD   ARG  67          3HD       ARG  67   2.941   3.967  -2.250
  536    HE   ARG  67           HE       ARG  67   4.883   3.396  -3.740
  537   1HH1  ARG  67          1HH1      ARG  67   2.026   4.999  -4.971
  538   2HH1  ARG  67          2HH1      ARG  67   2.846   5.727  -6.317
  539   1HH2  ARG  67          1HH2      ARG  67   5.989   4.367  -5.488
  540   2HH2  ARG  67          2HH2      ARG  67   5.121   5.400  -6.591
  541    H    GLY  68           H        GLY  68   1.540   0.572  -7.053
  542   1HA   GLY  68          1HA       GLY  68   0.988  -2.304  -6.912
  543   2HA   GLY  68          2HA       GLY  68  -0.003  -1.111  -7.746
  544    H    LYS  69           H        LYS  69   2.171   0.252  -8.971
  545    HA   LYS  69           HA       LYS  69   2.671  -1.596 -11.162
  546   1HB   LYS  69          2HB       LYS  69   2.020   1.092 -11.057
  547   2HB   LYS  69          3HB       LYS  69   3.739   1.114 -11.424
  548   1HG   LYS  69          2HG       LYS  69   3.355  -0.314 -13.363
  549   2HG   LYS  69          3HG       LYS  69   1.631  -0.364 -12.989
  550   1HD   LYS  69          2HD       LYS  69   1.510   1.372 -14.418
  551   2HD   LYS  69          3HD       LYS  69   2.069   2.311 -13.033
  552   1HE   LYS  69          2HE       LYS  69   4.014   2.774 -14.023
  553   2HE   LYS  69          3HE       LYS  69   4.270   1.088 -14.468
  554   1HZ   LYS  69          HZ1       LYS  69   2.298   2.621 -15.997
  555   2HZ   LYS  69          HZ2       LYS  69   3.936   2.953 -16.272
  556   3HZ   LYS  69          HZ3       LYS  69   3.338   1.380 -16.503
  557    H    LEU  70           H        LEU  70   4.110  -1.882  -8.598
  558    HA   LEU  70           HA       LEU  70   6.782  -0.957  -8.995
  559   1HB   LEU  70          2HB       LEU  70   7.072  -1.662  -6.895
  560   2HB   LEU  70          3HB       LEU  70   5.362  -2.031  -6.882
  561    HG   LEU  70           HG       LEU  70   6.703  -4.275  -8.002
  562   1HD1  LEU  70          1HD1      LEU  70   8.593  -3.033  -6.620
  563   2HD1  LEU  70          2HD1      LEU  70   7.788  -3.843  -5.276
  564   3HD1  LEU  70          3HD1      LEU  70   8.433  -4.789  -6.619
  565   1HD2  LEU  70          1HD2      LEU  70   4.554  -4.036  -6.620
  566   2HD2  LEU  70          2HD2      LEU  70   5.572  -5.449  -6.333
  567   3HD2  LEU  70          3HD2      LEU  70   5.618  -4.086  -5.215
  568    H    GLU  71           H        GLU  71   5.014  -3.924  -9.569
  569    HA   GLU  71           HA       GLU  71   7.003  -5.672 -10.169
  570   1HB   GLU  71          2HB       GLU  71   5.153  -6.309 -12.142
  571   2HB   GLU  71          3HB       GLU  71   5.216  -6.943 -10.507
  572   1HG   GLU  71          2HG       GLU  71   3.265  -6.019 -10.037
  573   2HG   GLU  71          3HG       GLU  71   3.871  -4.423 -10.483
  574    HA   PRO  72           HA       PRO  72   7.496  -4.301 -14.742
  575   1HB   PRO  72          2HB       PRO  72   6.420  -1.982 -15.586
  576   2HB   PRO  72          3HB       PRO  72   5.516  -3.502 -15.605
  577   1HG   PRO  72          2HG       PRO  72   5.423  -1.268 -13.618
  578   2HG   PRO  72          3HG       PRO  72   4.085  -2.184 -14.336
  579   1HD   PRO  72          2HD       PRO  72   5.074  -2.697 -11.859
  580   2HD   PRO  72          3HD       PRO  72   4.351  -3.945 -12.891
  581    H    LEU  73           H        LEU  73   7.630  -2.077 -12.100
  582    HA   LEU  73           HA       LEU  73   9.611  -0.375 -13.370
  583   1HB   LEU  73          2HB       LEU  73   7.777  -0.136 -11.195
  584   2HB   LEU  73          3HB       LEU  73   9.392   0.152 -10.569
  585    HG   LEU  73           HG       LEU  73   8.179   2.211 -11.281
  586   1HD1  LEU  73          1HD1      LEU  73  10.842   1.367 -12.160
  587   2HD1  LEU  73          2HD1      LEU  73  10.194   2.768 -13.014
  588   3HD1  LEU  73          3HD1      LEU  73  10.340   2.795 -11.256
  589   1HD2  LEU  73          1HD2      LEU  73   7.368   0.790 -13.430
  590   2HD2  LEU  73          2HD2      LEU  73   7.387   2.551 -13.360
  591   3HD2  LEU  73          3HD2      LEU  73   8.719   1.685 -14.125
  592    H    LEU  74           H        LEU  74   9.548  -3.216 -11.529
  593    HA   LEU  74           HA       LEU  74  11.825  -3.025  -9.940
  594   1HB   LEU  74          2HB       LEU  74   9.961  -4.923 -10.410
  595   2HB   LEU  74          3HB       LEU  74  11.317  -5.614 -11.275
  596    HG   LEU  74           HG       LEU  74  12.663  -5.521  -9.202
  597   1HD1  LEU  74          1HD1      LEU  74  10.142  -4.322  -8.146
  598   2HD1  LEU  74          2HD1      LEU  74  11.171  -5.284  -7.086
  599   3HD1  LEU  74          3HD1      LEU  74  11.816  -3.841  -7.869
  600   1HD2  LEU  74          1HD2      LEU  74  11.026  -7.425  -9.966
  601   2HD2  LEU  74          2HD2      LEU  74  11.836  -7.497  -8.400
  602   3HD2  LEU  74          3HD2      LEU  74  10.157  -6.966  -8.500
  603    H    ALA  75           H        ALA  75  11.529  -4.382 -13.211
  604    HA   ALA  75           HA       ALA  75  14.320  -4.805 -13.535
  605   1HB   ALA  75          1HB       ALA  75  11.951  -4.899 -15.358
  606   2HB   ALA  75          2HB       ALA  75  13.587  -5.027 -16.005
  607   3HB   ALA  75          3HB       ALA  75  13.009  -6.207 -14.828
  608    H    LYS  76           H        LYS  76  12.204  -2.124 -14.122
  609    HA   LYS  76           HA       LYS  76  13.920  -0.729 -15.930
  610   1HB   LYS  76          2HB       LYS  76  11.716   0.414 -14.209
  611   2HB   LYS  76          3HB       LYS  76  12.413   1.142 -15.650
  612   1HG   LYS  76          2HG       LYS  76  11.356  -1.535 -16.101
  613   2HG   LYS  76          3HG       LYS  76  10.142  -0.373 -15.559
  614   1HD   LYS  76          2HD       LYS  76  10.026   0.039 -17.791
  615   2HD   LYS  76          3HD       LYS  76  11.355   1.131 -17.397
  616   1HE   LYS  76          2HE       LYS  76  11.822  -0.235 -19.387
  617   2HE   LYS  76          3HE       LYS  76  12.973  -0.529 -18.086
  618   1HZ   LYS  76          HZ1       LYS  76  10.852  -2.343 -17.812
  619   2HZ   LYS  76          HZ2       LYS  76  11.365  -2.382 -19.428
  620   3HZ   LYS  76          HZ3       LYS  76  12.474  -2.668 -18.179
  621    H    SER  77           H        SER  77  13.616  -0.941 -12.477
  622    HA   SER  77           HA       SER  77  15.242   1.369 -11.941
  623   1HB   SER  77          2HB       SER  77  14.445  -0.912 -10.113
  624   2HB   SER  77          3HB       SER  77  15.161   0.617  -9.605
  625    HG   SER  77           HG       SER  77  12.590   0.118 -10.668
  626    H    GLY  78           H        GLY  78  15.699  -2.122 -12.183
  627   1HA   GLY  78          1HA       GLY  78  17.719  -3.050 -12.990
  628   2HA   GLY  78          2HA       GLY  78  18.570  -1.612 -12.442
  629    H    LEU  79           H        LEU  79  16.998  -4.566 -11.382
  630    HA   LEU  79           HA       LEU  79  18.710  -4.529  -8.990
  631   1HB   LEU  79          2HB       LEU  79  15.902  -5.597  -9.275
  632   2HB   LEU  79          3HB       LEU  79  16.928  -5.891  -7.882
  633    HG   LEU  79           HG       LEU  79  16.279  -3.099  -8.761
  634   1HD1  LEU  79          1HD1      LEU  79  14.255  -4.736  -8.249
  635   2HD1  LEU  79          2HD1      LEU  79  14.699  -4.346  -6.587
  636   3HD1  LEU  79          3HD1      LEU  79  14.270  -3.056  -7.712
  637   1HD2  LEU  79          1HD2      LEU  79  17.258  -4.403  -6.238
  638   2HD2  LEU  79          2HD2      LEU  79  18.026  -3.137  -7.197
  639   3HD2  LEU  79          3HD2      LEU  79  16.585  -2.774  -6.250
  640    H    ASP  80           H        ASP  80  19.619  -6.526  -8.371
  641    HA   ASP  80           HA       ASP  80  19.355  -8.686 -10.331
  642   1HB   ASP  80          2HB       ASP  80  21.486  -8.380 -10.955
  643   2HB   ASP  80          3HB       ASP  80  21.654  -7.060  -9.810
  644    HA   PRO  81           HA       PRO  81  18.210 -10.993  -6.865
  645   1HB   PRO  81          2HB       PRO  81  18.761 -13.530  -7.749
  646   2HB   PRO  81          3HB       PRO  81  17.372 -12.569  -8.275
  647   1HG   PRO  81          2HG       PRO  81  20.010 -12.983  -9.623
  648   2HG   PRO  81          3HG       PRO  81  18.382 -12.968 -10.327
  649   1HD   PRO  81          2HD       PRO  81  20.016 -10.848 -10.523
  650   2HD   PRO  81          3HD       PRO  81  18.263 -10.654 -10.313
  651    H    GLU  82           H        GLU  82  21.482 -10.739  -7.577
  652    HA   GLU  82           HA       GLU  82  22.232 -12.508  -5.347
  653   1HB   GLU  82          2HB       GLU  82  23.921 -11.128  -7.444
  654   2HB   GLU  82          3HB       GLU  82  24.580 -12.035  -6.091
  655   1HG   GLU  82          2HG       GLU  82  22.768 -13.184  -8.200
  656   2HG   GLU  82          3HG       GLU  82  24.527 -13.299  -8.210
  657    H    LYS  83           H        LYS  83  21.028  -9.609  -5.626
  658    HA   LYS  83           HA       LYS  83  22.972  -8.215  -3.931
  659   1HB   LYS  83          2HB       LYS  83  20.744  -7.324  -5.717
  660   2HB   LYS  83          3HB       LYS  83  21.258  -6.279  -4.399
  661   1HG   LYS  83          2HG       LYS  83  23.589  -6.452  -5.311
  662   2HG   LYS  83          3HG       LYS  83  22.892  -7.254  -6.719
  663   1HD   LYS  83          2HD       LYS  83  21.334  -5.183  -6.814
  664   2HD   LYS  83          3HD       LYS  83  22.557  -4.426  -5.794
  665   1HE   LYS  83          2HE       LYS  83  22.588  -4.940  -8.637
  666   2HE   LYS  83          3HE       LYS  83  23.653  -3.921  -7.668
  667   1HZ   LYS  83          HZ1       LYS  83  24.943  -5.889  -7.091
  668   2HZ   LYS  83          HZ2       LYS  83  23.921  -6.861  -8.040
  669   3HZ   LYS  83          HZ3       LYS  83  24.884  -5.674  -8.776
  670    HA   PRO  84           HA       PRO  84  20.235  -8.860  -0.449
  671   1HB   PRO  84          2HB       PRO  84  21.680  -7.448   1.335
  672   2HB   PRO  84          3HB       PRO  84  22.173  -9.058   0.797
  673   1HG   PRO  84          2HG       PRO  84  23.186  -6.382  -0.049
  674   2HG   PRO  84          3HG       PRO  84  24.086  -7.881   0.239
  675   1HD   PRO  84          2HD       PRO  84  23.366  -6.944  -2.248
  676   2HD   PRO  84          3HD       PRO  84  23.697  -8.648  -1.873
  677    H    VAL  85           H        VAL  85  18.401  -7.728  -0.298
  678    HA   VAL  85           HA       VAL  85  18.544  -4.787  -0.432
  679    HB   VAL  85           HB       VAL  85  16.239  -5.018  -1.590
  680   1HG1  VAL  85          1HG1      VAL  85  18.951  -5.328  -2.741
  681   2HG1  VAL  85          2HG1      VAL  85  17.580  -5.587  -3.821
  682   3HG1  VAL  85          3HG1      VAL  85  17.759  -4.050  -2.974
  683   1HG2  VAL  85          1HG2      VAL  85  17.418  -7.735  -2.161
  684   2HG2  VAL  85          2HG2      VAL  85  15.936  -7.400  -1.263
  685   3HG2  VAL  85          3HG2      VAL  85  16.024  -7.036  -2.988
  686    H    VAL  86           H        VAL  86  16.869  -3.635   0.596
  687    HA   VAL  86           HA       VAL  86  15.194  -5.195   2.434
  688    HB   VAL  86           HB       VAL  86  16.784  -4.355   3.932
  689   1HG1  VAL  86          1HG1      VAL  86  17.975  -2.915   2.352
  690   2HG1  VAL  86          2HG1      VAL  86  16.710  -1.697   2.520
  691   3HG1  VAL  86          3HG1      VAL  86  17.718  -2.118   3.906
  692   1HG2  VAL  86          1HG2      VAL  86  14.505  -2.395   3.820
  693   2HG2  VAL  86          2HG2      VAL  86  14.647  -3.839   4.819
  694   3HG2  VAL  86          3HG2      VAL  86  15.677  -2.444   5.136
  695    H    VAL  87           H        VAL  87  13.100  -4.420   2.679
  696    HA   VAL  87           HA       VAL  87  12.363  -2.343   0.734
  697    HB   VAL  87           HB       VAL  87  10.037  -3.247   0.949
  698   1HG1  VAL  87          1HG1      VAL  87  12.329  -4.499  -0.316
  699   2HG1  VAL  87          2HG1      VAL  87  11.012  -5.637  -0.036
  700   3HG1  VAL  87          3HG1      VAL  87  10.724  -4.165  -0.962
  701   1HG2  VAL  87          1HG2      VAL  87  10.595  -4.345   3.203
  702   2HG2  VAL  87          2HG2      VAL  87   9.551  -5.219   2.083
  703   3HG2  VAL  87          3HG2      VAL  87  11.251  -5.664   2.233
  704    H    PHE  88           H        PHE  88  11.344  -0.526   1.325
  705    HA   PHE  88           HA       PHE  88  10.818  -0.187   4.204
  706   1HB   PHE  88          2HB       PHE  88  12.792   1.057   2.958
  707   2HB   PHE  88          3HB       PHE  88  11.500   2.143   2.461
  708    HD1  PHE  88           HD1      PHE  88  12.189   0.385   5.707
  709    HD2  PHE  88           HD2      PHE  88  11.678   4.091   3.659
  710    HE1  PHE  88           HE1      PHE  88  12.325   1.583   7.835
  711    HE2  PHE  88           HE2      PHE  88  11.811   5.279   5.788
  712    HZ   PHE  88           HZ       PHE  88  12.136   4.032   7.882
  713    H    CYS  89           H        CYS  89   9.038   0.950   4.840
  714    HA   CYS  89           HA       CYS  89   7.323   2.504   3.318
  715   1HB   CYS  89          2HB       CYS  89   6.872   0.461   2.004
  716   2HB   CYS  89          3HB       CYS  89   6.390  -0.380   3.472
  717    H    LYS  90           H        LYS  90   6.497  -0.258   5.365
  718    HA   LYS  90           HA       LYS  90   6.440   1.251   7.761
  719   1HB   LYS  90          2HB       LYS  90   4.093   1.438   6.253
  720   2HB   LYS  90          3HB       LYS  90   3.741   0.224   7.475
  721   1HG   LYS  90          2HG       LYS  90   5.082   2.563   8.572
  722   2HG   LYS  90          3HG       LYS  90   3.544   2.945   7.794
  723   1HD   LYS  90          2HD       LYS  90   2.333   1.579   9.234
  724   2HD   LYS  90          3HD       LYS  90   3.758   0.647   9.701
  725   1HE   LYS  90          2HE       LYS  90   3.610   3.561  10.339
  726   2HE   LYS  90          3HE       LYS  90   2.740   2.401  11.342
  727   1HZ   LYS  90          HZ1       LYS  90   5.164   1.268  11.181
  728   2HZ   LYS  90          HZ2       LYS  90   5.582   2.912  11.140
  729   3HZ   LYS  90          HZ3       LYS  90   4.677   2.299  12.436
  730    H    THR  91           H        THR  91   4.352  -0.533   8.900
  731    HA   THR  91           HA       THR  91   6.101  -2.864   9.170
  732    HB   THR  91           HB       THR  91   4.034  -2.612  11.182
  733    HG1  THR  91           HG1      THR  91   5.291  -0.634  12.037
  734   1HG2  THR  91          1HG2      THR  91   6.275  -3.845  11.213
  735   2HG2  THR  91          2HG2      THR  91   6.992  -2.268  11.545
  736   3HG2  THR  91          3HG2      THR  91   5.813  -2.956  12.664
  737    H    ALA  92           H        ALA  92   3.958  -2.624   7.075
  738    HA   ALA  92           HA       ALA  92   2.309  -4.894   7.969
  739   1HB   ALA  92          1HB       ALA  92   1.387  -2.369   7.474
  740   2HB   ALA  92          2HB       ALA  92   1.057  -3.208   5.958
  741   3HB   ALA  92          3HB       ALA  92   0.417  -3.841   7.474
  742    H    ALA  93           H        ALA  93   0.999  -5.663   5.889
  743    HA   ALA  93           HA       ALA  93   2.779  -7.192   4.410
  744   1HB   ALA  93          1HB       ALA  93   0.125  -7.263   4.875
  745   2HB   ALA  93          2HB       ALA  93   0.146  -6.762   3.184
  746   3HB   ALA  93          3HB       ALA  93   0.948  -8.255   3.672
  747    H    ARG  94           H        ARG  94   1.516  -4.031   3.724
  748    HA   ARG  94           HA       ARG  94   1.615  -3.855   1.004
  749   1HB   ARG  94          2HB       ARG  94   0.958  -2.066   2.661
  750   2HB   ARG  94          3HB       ARG  94   2.667  -1.686   2.813
  751   1HG   ARG  94          2HG       ARG  94   2.793  -1.053   0.509
  752   2HG   ARG  94          3HG       ARG  94   1.144  -1.611   0.219
  753   1HD   ARG  94          2HD       ARG  94   0.324   0.356   0.854
  754   2HD   ARG  94          3HD       ARG  94   1.159   0.239   2.401
  755    HE   ARG  94           HE       ARG  94   3.123   1.032   0.734
  756   1HH1  ARG  94          1HH1      ARG  94  -0.063   2.260   1.443
  757   2HH1  ARG  94          2HH1      ARG  94   0.314   3.899   1.004
  758   1HH2  ARG  94          1HH2      ARG  94   3.637   3.185   0.169
  759   2HH2  ARG  94          2HH2      ARG  94   2.394   4.411   0.229
  760    H    ALA  95           H        ALA  95   4.378  -3.430   3.208
  761    HA   ALA  95           HA       ALA  95   6.256  -3.131   1.040
  762   1HB   ALA  95          1HB       ALA  95   6.545  -2.117   3.323
  763   2HB   ALA  95          2HB       ALA  95   6.890  -3.739   3.920
  764   3HB   ALA  95          3HB       ALA  95   7.941  -3.002   2.711
  765    H    ALA  96           H        ALA  96   5.129  -5.680   3.149
  766    HA   ALA  96           HA       ALA  96   7.055  -7.625   2.666
  767   1HB   ALA  96          1HB       ALA  96   5.142  -7.586   4.384
  768   2HB   ALA  96          2HB       ALA  96   4.180  -8.333   3.107
  769   3HB   ALA  96          3HB       ALA  96   5.631  -9.139   3.705
  770    H    LEU  97           H        LEU  97   4.388  -6.599   0.665
  771    HA   LEU  97           HA       LEU  97   4.298  -8.934  -0.968
  772   1HB   LEU  97          2HB       LEU  97   3.146  -6.220  -1.117
  773   2HB   LEU  97          3HB       LEU  97   3.422  -6.999  -2.672
  774    HG   LEU  97           HG       LEU  97   1.120  -7.303  -1.701
  775   1HD1  LEU  97          1HD1      LEU  97   2.050  -8.765  -3.441
  776   2HD1  LEU  97          2HD1      LEU  97   2.709  -9.818  -2.188
  777   3HD1  LEU  97          3HD1      LEU  97   0.964  -9.634  -2.356
  778   1HD2  LEU  97          1HD2      LEU  97   2.437  -7.904   0.622
  779   2HD2  LEU  97          2HD2      LEU  97   0.744  -8.270   0.281
  780   3HD2  LEU  97          3HD2      LEU  97   1.983  -9.500   0.021
  781    H    ALA  98           H        ALA  98   6.194  -5.980  -1.049
  782    HA   ALA  98           HA       ALA  98   7.374  -6.536  -3.600
  783   1HB   ALA  98          1HB       ALA  98   7.801  -4.536  -1.443
  784   2HB   ALA  98          2HB       ALA  98   9.120  -4.825  -2.577
  785   3HB   ALA  98          3HB       ALA  98   7.545  -4.301  -3.172
  786    H    GLY  99           H        GLY  99   8.371  -6.923  -0.221
  787   1HA   GLY  99          1HA       GLY  99  10.938  -7.968  -0.819
  788   2HA   GLY  99          2HA       GLY  99  10.121  -8.056   0.732
  789    H    LYS 100           H        LYS 100   8.005  -9.626   0.348
  790    HA   LYS 100           HA       LYS 100   9.170 -12.151   0.415
  791   1HB   LYS 100          2HB       LYS 100   7.166 -12.907   1.155
  792   2HB   LYS 100          3HB       LYS 100   6.851 -11.187   1.322
  793   1HG   LYS 100          2HG       LYS 100   4.999 -11.587   0.155
  794   2HG   LYS 100          3HG       LYS 100   6.056 -11.696  -1.254
  795   1HD   LYS 100          2HD       LYS 100   4.653 -13.636  -1.228
  796   2HD   LYS 100          3HD       LYS 100   6.288 -14.142  -0.801
  797   1HE   LYS 100          2HE       LYS 100   5.026 -13.477   1.615
  798   2HE   LYS 100          3HE       LYS 100   3.844 -14.405   0.692
  799   1HZ   LYS 100          HZ1       LYS 100   5.598 -16.106   0.357
  800   2HZ   LYS 100          HZ2       LYS 100   6.603 -15.241   1.419
  801   3HZ   LYS 100          HZ3       LYS 100   5.145 -15.910   1.979
  802    H    THR 101           H        THR 101   7.541 -10.516  -2.222
  803    HA   THR 101           HA       THR 101   7.428 -12.794  -3.926
  804    HB   THR 101           HB       THR 101   7.400  -9.882  -4.729
  805    HG1  THR 101           HG1      THR 101   5.609  -9.877  -3.601
  806   1HG2  THR 101          1HG2      THR 101   7.644 -11.755  -6.486
  807   2HG2  THR 101          2HG2      THR 101   5.970 -12.143  -6.085
  808   3HG2  THR 101          3HG2      THR 101   6.379 -10.547  -6.719
  809    H    LEU 102           H        LEU 102   9.788 -10.240  -3.350
  810    HA   LEU 102           HA       LEU 102  11.483 -10.846  -5.547
  811   1HB   LEU 102          2HB       LEU 102  11.765  -9.317  -3.006
  812   2HB   LEU 102          3HB       LEU 102  13.222  -9.750  -3.880
  813    HG   LEU 102           HG       LEU 102  10.934  -8.083  -4.923
  814   1HD1  LEU 102          1HD1      LEU 102  13.752  -7.452  -4.088
  815   2HD1  LEU 102          2HD1      LEU 102  12.784  -6.373  -5.093
  816   3HD1  LEU 102          3HD1      LEU 102  12.250  -6.776  -3.461
  817   1HD2  LEU 102          1HD2      LEU 102  12.670  -9.716  -6.374
  818   2HD2  LEU 102          2HD2      LEU 102  11.640  -8.427  -6.996
  819   3HD2  LEU 102          3HD2      LEU 102  13.309  -8.081  -6.543
  820    H    ARG 103           H        ARG 103  11.557 -11.835  -2.113
  821    HA   ARG 103           HA       ARG 103  13.849 -13.495  -2.431
  822   1HB   ARG 103          2HB       ARG 103  13.364 -14.361  -0.229
  823   2HB   ARG 103          3HB       ARG 103  13.138 -12.619  -0.232
  824   1HG   ARG 103          2HG       ARG 103  10.925 -12.768   0.163
  825   2HG   ARG 103          3HG       ARG 103  10.747 -14.264  -0.754
  826   1HD   ARG 103          2HD       ARG 103  11.736 -13.893   2.058
  827   2HD   ARG 103          3HD       ARG 103  10.370 -14.853   1.493
  828    HE   ARG 103           HE       ARG 103  12.855 -15.761   0.411
  829   1HH1  ARG 103          1HH1      ARG 103  10.815 -15.884   3.258
  830   2HH1  ARG 103          2HH1      ARG 103  11.439 -17.425   3.780
  831   1HH2  ARG 103          1HH2      ARG 103  13.678 -17.786   1.110
  832   2HH2  ARG 103          2HH2      ARG 103  13.052 -18.489   2.579
  833    H    GLU 104           H        GLU 104  10.485 -13.902  -3.031
  834    HA   GLU 104           HA       GLU 104  10.386 -16.743  -3.156
  835   1HB   GLU 104          2HB       GLU 104   8.642 -14.485  -3.839
  836   2HB   GLU 104          3HB       GLU 104   8.460 -15.868  -4.908
  837   1HG   GLU 104          2HG       GLU 104   8.461 -17.017  -2.415
  838   2HG   GLU 104          3HG       GLU 104   7.602 -15.499  -2.155
  839    H    TYR 105           H        TYR 105  12.034 -14.524  -5.063
  840    HA   TYR 105           HA       TYR 105  11.855 -16.260  -7.434
  841   1HB   TYR 105          HB2       TYR 105  12.680 -13.360  -7.213
  842   2HB   TYR 105          HB3       TYR 105  12.787 -14.308  -8.696
  843    HD1  TYR 105           HD1      TYR 105  10.161 -15.876  -8.003
  844    HD2  TYR 105           HD2      TYR 105  11.154 -11.747  -8.232
  845    HE1  TYR 105           HE1      TYR 105   7.814 -15.347  -8.477
  846    HE2  TYR 105           HE2      TYR 105   8.801 -11.207  -8.708
  847    HH   TYR 105           HH       TYR 105   6.322 -13.213  -8.108
  848    H    GLY 106           H        GLY 106  13.849 -15.431  -4.856
  849   1HA   GLY 106          1HA       GLY 106  15.727 -16.990  -4.611
  850   2HA   GLY 106          2HA       GLY 106  16.122 -16.658  -6.288
  851    H    PHE 107           H        PHE 107  15.161 -13.947  -4.403
  852    HA   PHE 107           HA       PHE 107  17.695 -12.687  -4.683
  853   1HB   PHE 107          2HB       PHE 107  15.083 -12.007  -3.472
  854   2HB   PHE 107          3HB       PHE 107  16.482 -11.198  -2.771
  855    HD1  PHE 107           HD1      PHE 107  15.054 -12.002  -6.125
  856    HD2  PHE 107           HD2      PHE 107  17.143  -9.202  -3.695
  857    HE1  PHE 107           HE1      PHE 107  15.054 -10.389  -7.988
  858    HE2  PHE 107           HE2      PHE 107  17.143  -7.586  -5.552
  859    HZ   PHE 107           HZ       PHE 107  16.102  -8.181  -7.703
  860    H    LYS 108           H        LYS 108  19.329 -12.427  -3.236
  861    HA   LYS 108           HA       LYS 108  19.837 -14.570  -1.564
  862   1HB   LYS 108          2HB       LYS 108  21.173 -11.888  -1.831
  863   2HB   LYS 108          3HB       LYS 108  21.788 -13.136  -0.754
  864   1HG   LYS 108          2HG       LYS 108  21.576 -14.581  -2.986
  865   2HG   LYS 108          3HG       LYS 108  21.819 -12.988  -3.703
  866   1HD   LYS 108          2HD       LYS 108  23.969 -13.968  -3.449
  867   2HD   LYS 108          3HD       LYS 108  23.818 -12.730  -2.201
  868   1HE   LYS 108          2HE       LYS 108  24.701 -14.503  -1.012
  869   2HE   LYS 108          3HE       LYS 108  22.972 -14.694  -0.725
  870   1HZ   LYS 108          HZ1       LYS 108  23.226 -16.170  -2.897
  871   2HZ   LYS 108          HZ2       LYS 108  24.793 -16.352  -2.286
  872   3HZ   LYS 108          HZ3       LYS 108  23.461 -16.798  -1.340
  873    H    THR 109           H        THR 109  20.168 -11.354  -0.183
  874    HA   THR 109           HA       THR 109  18.774 -12.342   2.209
  875    HB   THR 109           HB       THR 109  20.550  -9.997   2.458
  876    HG1  THR 109           HG1      THR 109  21.544 -12.622   1.891
  877   1HG2  THR 109          1HG2      THR 109  19.635 -12.303   4.048
  878   2HG2  THR 109          2HG2      THR 109  21.294 -11.793   4.352
  879   3HG2  THR 109          3HG2      THR 109  19.968 -10.644   4.548
  880    H    ILE 110           H        ILE 110  16.786 -11.537   2.294
  881    HA   ILE 110           HA       ILE 110  16.377  -8.758   1.432
  882    HB   ILE 110           HB       ILE 110  15.240 -10.549   0.096
  883   1HG1  ILE 110          2HG1      ILE 110  12.950  -9.077   1.143
  884   2HG1  ILE 110          3HG1      ILE 110  14.354  -8.051   0.858
  885   1HG2  ILE 110          1HG2      ILE 110  14.373 -11.406   2.668
  886   2HG2  ILE 110          2HG2      ILE 110  12.960 -10.982   1.699
  887   3HG2  ILE 110          3HG2      ILE 110  14.120 -12.168   1.097
  888   1HD1  ILE 110          1HD1      ILE 110  13.233  -9.945  -1.188
  889   2HD1  ILE 110          2HD1      ILE 110  12.773  -8.246  -1.058
  890   3HD1  ILE 110          3HD1      ILE 110  14.443  -8.680  -1.430
  891    H    TYR 111           H        TYR 111  15.676  -7.300   2.857
  892    HA   TYR 111           HA       TYR 111  14.851  -8.287   5.504
  893   1HB   TYR 111          HB2       TYR 111  15.990  -5.553   4.908
  894   2HB   TYR 111          HB3       TYR 111  15.839  -6.346   6.471
  895    HD1  TYR 111           HD1      TYR 111  17.742  -6.316   3.295
  896    HD2  TYR 111           HD2      TYR 111  17.527  -7.818   7.274
  897    HE1  TYR 111           HE1      TYR 111  20.055  -7.132   3.107
  898    HE2  TYR 111           HE2      TYR 111  19.837  -8.640   7.093
  899    HH   TYR 111           HH       TYR 111  21.706  -8.653   5.861
  900    H    ASN 112           H        ASN 112  13.031  -7.498   6.457
  901    HA   ASN 112           HA       ASN 112  11.453  -5.539   4.914
  902   1HB   ASN 112          2HB       ASN 112  10.711  -8.146   5.959
  903   2HB   ASN 112          3HB       ASN 112   9.700  -6.884   6.654
  904   1HD2  ASN 112          1HD2      ASN 112   8.090  -6.047   5.451
  905   2HD2  ASN 112          2HD2      ASN 112   7.808  -6.426   3.788
  906    H    SER 113           H        SER 113  10.516  -3.848   6.101
  907    HA   SER 113           HA       SER 113  11.989  -3.223   8.464
  908   1HB   SER 113          2HB       SER 113  11.007  -1.705   6.479
  909   2HB   SER 113          3HB       SER 113   9.720  -1.486   7.666
  910    HG   SER 113           HG       SER 113  12.490  -1.048   8.120
  911    H    GLU 114           H        GLU 114  11.445  -3.342  10.504
  912    HA   GLU 114           HA       GLU 114   8.699  -4.116  11.249
  913   1HB   GLU 114          2HB       GLU 114  11.209  -4.955  12.211
  914   2HB   GLU 114          3HB       GLU 114  10.527  -3.955  13.482
  915   1HG   GLU 114          2HG       GLU 114   9.719  -6.611  12.514
  916   2HG   GLU 114          3HG       GLU 114   9.647  -5.920  14.130
  917    H    GLY 115           H        GLY 115   9.918  -1.449  10.438
  918   1HA   GLY 115          1HA       GLY 115   8.818   0.068  12.711
  919   2HA   GLY 115          2HA       GLY 115  10.285   0.590  11.891
  920    H    GLY 116           H        GLY 116  10.036   0.887   9.475
  921   1HA   GLY 116          1HA       GLY 116   8.443   1.305   7.671
  922   2HA   GLY 116          2HA       GLY 116   7.362   1.979   8.881
  923    H    MET 117           H        MET 117   7.667   3.575   6.877
  924    HA   MET 117           HA       MET 117   9.928   5.181   6.677
  925   1HB   MET 117          2HB       MET 117   7.753   5.052   5.230
  926   2HB   MET 117          3HB       MET 117   7.194   6.340   6.289
  927   1HG   MET 117          2HG       MET 117   9.869   6.694   5.113
  928   2HG   MET 117          3HG       MET 117   8.508   6.756   3.995
  929   1HE   MET 117          1HE       MET 117  10.850   8.453   5.487
  930   2HE   MET 117          2HE       MET 117  10.281  10.120   5.454
  931   3HE   MET 117          3HE       MET 117  10.260   9.214   6.965
  932    H    ASP 118           H        ASP 118   7.156   5.438   8.838
  933    HA   ASP 118           HA       ASP 118   7.763   7.965   9.914
  934   1HB   ASP 118          2HB       ASP 118   6.205   7.432  11.674
  935   2HB   ASP 118          3HB       ASP 118   5.566   6.790  10.166
  936    H    LYS 119           H        LYS 119   9.036   4.773  10.530
  937    HA   LYS 119           HA       LYS 119  10.331   5.474  12.983
  938   1HB   LYS 119          2HB       LYS 119  10.007   3.102  11.338
  939   2HB   LYS 119          3HB       LYS 119  11.656   3.268  11.936
  940   1HG   LYS 119          2HG       LYS 119  10.138   1.934  13.400
  941   2HG   LYS 119          3HG       LYS 119  10.919   3.300  14.199
  942   1HD   LYS 119          2HD       LYS 119   8.947   4.551  14.251
  943   2HD   LYS 119          3HD       LYS 119   8.188   3.580  12.986
  944   1HE   LYS 119          2HE       LYS 119   7.129   2.959  15.004
  945   2HE   LYS 119          3HE       LYS 119   8.247   1.650  14.627
  946   1HZ   LYS 119          HZ1       LYS 119   9.084   3.855  16.408
  947   2HZ   LYS 119          HZ2       LYS 119   8.161   2.561  17.013
  948   3HZ   LYS 119          HZ3       LYS 119   9.675   2.265  16.316
  949    H    TRP 120           H        TRP 120  11.149   5.548   9.581
  950    HA   TRP 120           HA       TRP 120  13.938   5.816   9.775
  951   1HB   TRP 120          HB2       TRP 120  12.456   5.573   7.669
  952   2HB   TRP 120          HB3       TRP 120  12.278   7.321   7.758
  953    HD1  TRP 120           HD1      TRP 120  14.273   8.785   6.956
  954    HE1  TRP 120           HE1      TRP 120  16.513   8.293   5.790
  955    HE3  TRP 120           HE3      TRP 120  14.352   3.704   7.485
  956    HZ2  TRP 120           HZ2      TRP 120  18.089   6.043   5.158
  957    HZ3  TRP 120           HZ3      TRP 120  16.257   2.457   6.560
  958    HH2  TRP 120           HH2      TRP 120  18.085   3.602   5.418
  959    H    LEU 121           H        LEU 121  11.398   8.329   9.642
  960    HA   LEU 121           HA       LEU 121  13.080  10.521  10.231
  961   1HB   LEU 121          2HB       LEU 121  10.122  10.036  10.558
  962   2HB   LEU 121          3HB       LEU 121  10.871  11.558  10.994
  963    HG   LEU 121           HG       LEU 121  11.021  10.409   8.200
  964   1HD1  LEU 121          1HD1      LEU 121   8.810  11.683   9.593
  965   2HD1  LEU 121          2HD1      LEU 121   9.287  12.531   8.123
  966   3HD1  LEU 121          3HD1      LEU 121   8.842  10.825   8.052
  967   1HD2  LEU 121          1HD2      LEU 121  11.563  13.120   9.397
  968   2HD2  LEU 121          2HD2      LEU 121  12.721  12.037   8.628
  969   3HD2  LEU 121          3HD2      LEU 121  11.462  12.810   7.666
  970    H    GLU 122           H        GLU 122  11.271   8.246  12.205
  971    HA   GLU 122           HA       GLU 122  11.449   9.517  14.690
  972   1HB   GLU 122          2HB       GLU 122  10.033   7.527  14.072
  973   2HB   GLU 122          3HB       GLU 122  11.477   6.538  14.220
  974   1HG   GLU 122          2HG       GLU 122  11.568   6.772  16.504
  975   2HG   GLU 122          3HG       GLU 122  10.638   8.271  16.492
  976    H    GLU 123           H        GLU 123  13.695   7.303  13.080
  977    HA   GLU 123           HA       GLU 123  15.423   7.188  15.375
  978   1HB   GLU 123          2HB       GLU 123  15.784   6.190  12.545
  979   2HB   GLU 123          3HB       GLU 123  16.901   5.872  13.865
  980   1HG   GLU 123          2HG       GLU 123  14.002   5.090  13.959
  981   2HG   GLU 123          3HG       GLU 123  15.264   4.036  13.321
  982    H    GLY 124           H        GLY 124  14.896   9.540  13.134
  983   1HA   GLY 124          1HA       GLY 124  16.048  11.472  12.634
  984   2HA   GLY 124          2HA       GLY 124  17.251  10.995  13.825
  985    H    LEU 125           H        LEU 125  16.292   9.017  11.126
  986    HA   LEU 125           HA       LEU 125  19.017   8.782  10.269
  987   1HB   LEU 125          2HB       LEU 125  16.453   7.672   9.118
  988   2HB   LEU 125          3HB       LEU 125  18.062   7.246   8.565
  989    HG   LEU 125           HG       LEU 125  17.092   6.769  11.381
  990   1HD1  LEU 125          1HD1      LEU 125  16.521   5.335   8.938
  991   2HD1  LEU 125          2HD1      LEU 125  17.359   4.328  10.118
  992   3HD1  LEU 125          3HD1      LEU 125  15.851   5.129  10.557
  993   1HD2  LEU 125          1HD2      LEU 125  19.631   6.885  10.543
  994   2HD2  LEU 125          2HD2      LEU 125  19.083   5.778  11.800
  995   3HD2  LEU 125          3HD2      LEU 125  19.273   5.206  10.143
  996    HA   PRO 126           HA       PRO 126  19.278  11.698   6.945
  997   1HB   PRO 126          2HB       PRO 126  19.980  10.132   4.799
  998   2HB   PRO 126          3HB       PRO 126  21.118  10.661   6.045
  999   1HG   PRO 126          2HG       PRO 126  19.620   8.063   5.823
 1000   2HG   PRO 126          3HG       PRO 126  21.343   8.333   6.186
 1001   1HD   PRO 126          2HD       PRO 126  19.650   7.819   8.157
 1002   2HD   PRO 126          3HD       PRO 126  20.885   9.081   8.365
 1003    H    SER 127           H        SER 127  17.357  12.544   6.298
 1004    HA   SER 127           HA       SER 127  15.688  10.870   4.561
 1005   1HB   SER 127          2HB       SER 127  14.697  13.079   6.371
 1006   2HB   SER 127          3HB       SER 127  13.728  11.907   5.477
 1007    HG   SER 127           HG       SER 127  15.571  11.238   7.541
 1008    H    LEU 128           H        LEU 128  14.647  11.928   2.844
 1009    HA   LEU 128           HA       LEU 128  16.057  14.324   1.933
 1010   1HB   LEU 128          2HB       LEU 128  15.090  11.927   0.681
 1011   2HB   LEU 128          3HB       LEU 128  14.316  13.315  -0.057
 1012    HG   LEU 128           HG       LEU 128  17.299  12.952   0.201
 1013   1HD1  LEU 128          1HD1      LEU 128  16.072  11.335  -1.310
 1014   2HD1  LEU 128          2HD1      LEU 128  15.641  12.729  -2.296
 1015   3HD1  LEU 128          3HD1      LEU 128  17.337  12.303  -2.066
 1016   1HD2  LEU 128          1HD2      LEU 128  16.476  15.302   0.129
 1017   2HD2  LEU 128          2HD2      LEU 128  17.483  14.854  -1.247
 1018   3HD2  LEU 128          3HD2      LEU 128  15.730  14.948  -1.430
 1019    H    ASP 129           H        ASP 129  15.039  16.028   2.759
 1020    HA   ASP 129           HA       ASP 129  12.164  16.326   2.201
 1021   1HB   ASP 129          2HB       ASP 129  12.581  16.122   4.629
 1022   2HB   ASP 129          3HB       ASP 129  13.728  17.449   4.540
 1023    H    ARG 130           H        ARG 130  11.540  18.328   1.356
 1024    HA   ARG 130           HA       ARG 130  13.333  19.649  -0.302
 1025   1HB   ARG 130          2HB       ARG 130  11.179  20.002  -0.978
 1026   2HB   ARG 130          3HB       ARG 130  10.569  20.101   0.664
 1027   1HG   ARG 130          2HG       ARG 130  11.975  22.382   0.563
 1028   2HG   ARG 130          3HG       ARG 130  11.524  22.219  -1.135
 1029   1HD   ARG 130          2HD       ARG 130   9.257  22.328  -0.680
 1030   2HD   ARG 130          3HD       ARG 130   9.467  21.821   0.996
 1031    HE   ARG 130           HE       ARG 130  10.063  24.008   1.575
 1032   1HH1  ARG 130          1HH1      ARG 130   9.260  23.672  -1.809
 1033   2HH1  ARG 130          2HH1      ARG 130   9.147  25.380  -2.099
 1034   1HH2  ARG 130          1HH2      ARG 130   9.907  26.270   1.226
 1035   2HH2  ARG 130          2HH2      ARG 130   9.526  26.865  -0.368
 1036    H    SER 131           H        SER 131  15.116  20.516   0.480
 1037    HA   SER 131           HA       SER 131  15.276  21.557   3.088
 1038   1HB   SER 131          2HB       SER 131  17.494  22.134   1.236
 1039   2HB   SER 131          3HB       SER 131  17.501  21.302   2.795
 1040    HG   SER 131           HG       SER 131  16.469  19.514   1.637
 1041    H    HIS 132           H        HIS 132  15.137  23.517   3.860
 1042    HA   HIS 132           HA       HIS 132  14.485  25.726   2.122
 1043   1HB   HIS 132          2HB       HIS 132  13.277  25.558   4.205
 1044   2HB   HIS 132          3HB       HIS 132  14.773  25.494   5.127
 1045    HD1  HIS 132           HD1      HIS 132  13.406  27.990   2.582
 1046    HD2  HIS 132           HD2      HIS 132  15.088  27.851   6.382
 1047    HE1  HIS 132           HE1      HIS 132  13.583  30.382   3.332
 1048    HE2  HIS 132           HE2      HIS 132  14.838  30.274   5.512
 1049    H    HIS 133           H        HIS 133  16.414  25.910   0.936
 1050    HA   HIS 133           HA       HIS 133  18.394  27.612   2.173
 1051   1HB   HIS 133          2HB       HIS 133  18.882  24.807   1.943
 1052   2HB   HIS 133          3HB       HIS 133  19.898  25.629   0.765
 1053    HD1  HIS 133           HD1      HIS 133  21.983  24.931   2.172
 1054    HD2  HIS 133           HD2      HIS 133  19.334  27.475   4.128
 1055    HE1  HIS 133           HE1      HIS 133  23.242  25.829   4.157
 1056    HE2  HIS 133           HE2      HIS 133  21.685  27.516   5.203
 1057    H    HIS 134           H        HIS 134  20.063  28.240   0.422
 1058    HA   HIS 134           HA       HIS 134  18.611  28.809  -2.028
 1059   1HB   HIS 134          2HB       HIS 134  21.367  29.594  -1.053
 1060   2HB   HIS 134          3HB       HIS 134  20.762  30.012  -2.650
 1061    HD1  HIS 134           HD1      HIS 134  18.926  31.848  -2.785
 1062    HD2  HIS 134           HD2      HIS 134  20.307  31.070   1.064
 1063    HE1  HIS 134           HE1      HIS 134  18.080  33.745  -1.361
 1064    HE2  HIS 134           HE2      HIS 134  19.017  33.308   0.941
 1065    H    HIS 135           H        HIS 135  18.507  26.390  -2.279
 1066    HA   HIS 135           HA       HIS 135  20.854  25.405  -3.763
 1067   1HB   HIS 135          2HB       HIS 135  20.774  24.436  -1.490
 1068   2HB   HIS 135          3HB       HIS 135  19.142  23.857  -1.800
 1069    HD1  HIS 135           HD1      HIS 135  22.609  23.418  -3.325
 1070    HD2  HIS 135           HD2      HIS 135  19.089  21.303  -2.655
 1071    HE1  HIS 135           HE1      HIS 135  23.067  21.066  -4.094
 1072    HE2  HIS 135           HE2      HIS 135  20.951  19.781  -3.614
 1073    H    HIS 136           H        HIS 136  20.248  25.156  -5.813
 1074    HA   HIS 136           HA       HIS 136  17.495  24.486  -6.452
 1075   1HB   HIS 136          2HB       HIS 136  18.048  24.863  -8.754
 1076   2HB   HIS 136          3HB       HIS 136  18.740  26.168  -7.812
 1077    HD1  HIS 136           HD1      HIS 136  20.113  26.371 -10.172
 1078    HD2  HIS 136           HD2      HIS 136  21.120  23.205  -7.666
 1079    HE1  HIS 136           HE1      HIS 136  22.375  25.582 -10.942
 1080    HE2  HIS 136           HE2      HIS 136  22.875  23.555  -9.532
 1081    H    HIS 137           H        HIS 137  17.200  22.761  -8.222
 1082    HA   HIS 137           HA       HIS 137  18.573  20.352  -7.284
 1083   1HB   HIS 137          2HB       HIS 137  15.992  20.593  -7.457
 1084   2HB   HIS 137          3HB       HIS 137  16.242  20.373  -9.186
 1085    HD1  HIS 137           HD1      HIS 137  16.081  18.042  -9.933
 1086    HD2  HIS 137           HD2      HIS 137  17.257  18.306  -5.954
 1087    HE1  HIS 137           HE1      HIS 137  16.266  15.670  -9.123
 1088    HE2  HIS 137           HE2      HIS 137  16.789  15.858  -6.664
 1089   1H    ALA   1           H1       ALA   1  25.107  -9.327 -14.048
 1090   2H    ALA   1           H2       ALA   1  24.429  -9.160 -12.505
 1091   3H    ALA   1           H3       ALA   1  25.485 -10.446 -12.832
 1092    HA   ALA   1           HA       ALA   1  23.820 -11.146 -14.592
 1093   1HB   ALA   1          1HB       ALA   1  24.205 -11.898 -11.999
 1094   2HB   ALA   1          2HB       ALA   1  22.482 -11.524 -12.018
 1095   3HB   ALA   1          3HB       ALA   1  23.138 -12.714 -13.143
 1096    H    ASP   2           H        ASP   2  22.612  -9.739 -15.788
 1097    HA   ASP   2           HA       ASP   2  20.695  -8.000 -14.479
 1098   1HB   ASP   2          2HB       ASP   2  21.649  -8.347 -17.290
 1099   2HB   ASP   2          3HB       ASP   2  20.126  -7.519 -16.975
 1100    H    MET   3           H        MET   3  19.521  -9.790 -13.537
 1101    HA   MET   3           HA       MET   3  18.001 -11.445 -15.382
 1102   1HB   MET   3          2HB       MET   3  19.004 -11.768 -12.756
 1103   2HB   MET   3          3HB       MET   3  17.251 -11.854 -12.648
 1104   1HG   MET   3          2HG       MET   3  17.135 -13.697 -14.070
 1105   2HG   MET   3          3HG       MET   3  18.763 -13.434 -14.690
 1106   1HE   MET   3          1HE       MET   3  20.727 -14.005 -13.858
 1107   2HE   MET   3          2HE       MET   3  20.949 -13.649 -12.144
 1108   3HE   MET   3          3HE       MET   3  21.037 -15.313 -12.719
 1109    H    GLY   4           H        GLY   4  17.550  -8.485 -14.872
 1110   1HA   GLY   4          1HA       GLY   4  15.175  -7.999 -13.511
 1111   2HA   GLY   4          2HA       GLY   4  15.734  -7.063 -14.889
 1112    H    GLU   5           H        GLU   5  15.673  -9.246 -16.715
 1113    HA   GLU   5           HA       GLU   5  13.030  -9.129 -17.704
 1114   1HB   GLU   5          2HB       GLU   5  13.888 -11.181 -19.078
 1115   2HB   GLU   5          3HB       GLU   5  14.586  -9.590 -19.351
 1116   1HG   GLU   5          2HG       GLU   5  16.611 -10.292 -18.769
 1117   2HG   GLU   5          3HG       GLU   5  16.006 -11.006 -17.275
 1118    H    LYS   6           H        LYS   6  14.652 -11.369 -15.597
 1119    HA   LYS   6           HA       LYS   6  12.794 -13.486 -15.877
 1120   1HB   LYS   6          2HB       LYS   6  15.045 -12.902 -14.010
 1121   2HB   LYS   6          3HB       LYS   6  13.916 -14.187 -13.598
 1122   1HG   LYS   6          2HG       LYS   6  15.541 -13.997 -16.128
 1123   2HG   LYS   6          3HG       LYS   6  15.850 -15.075 -14.764
 1124   1HD   LYS   6          2HD       LYS   6  13.129 -15.289 -15.778
 1125   2HD   LYS   6          3HD       LYS   6  14.345 -15.667 -17.000
 1126   1HE   LYS   6          2HE       LYS   6  15.339 -17.325 -15.572
 1127   2HE   LYS   6          3HE       LYS   6  14.275 -16.875 -14.240
 1128   1HZ   LYS   6          HZ1       LYS   6  12.402 -17.520 -15.823
 1129   2HZ   LYS   6          HZ2       LYS   6  13.601 -18.287 -16.745
 1130   3HZ   LYS   6          HZ3       LYS   6  13.319 -18.773 -15.146
 1131    H    PHE   7           H        PHE   7  13.310 -11.288 -13.067
 1132    HA   PHE   7           HA       PHE   7  10.943 -12.311 -11.850
 1133   1HB   PHE   7          2HB       PHE   7  11.274 -10.279 -10.265
 1134   2HB   PHE   7          3HB       PHE   7  12.403 -11.621 -10.216
 1135    HD1  PHE   7           HD1      PHE   7  11.923  -8.211 -11.588
 1136    HD2  PHE   7           HD2      PHE   7  14.684 -11.248 -10.470
 1137    HE1  PHE   7           HE1      PHE   7  13.775  -6.617 -11.846
 1138    HE2  PHE   7           HE2      PHE   7  16.542  -9.654 -10.717
 1139    HZ   PHE   7           HZ       PHE   7  16.087  -7.335 -11.409
 1140    H    ASP   8           H        ASP   8  11.574  -9.688 -13.987
 1141    HA   ASP   8           HA       ASP   8   9.431  -7.984 -13.506
 1142   1HB   ASP   8          2HB       ASP   8  11.005  -7.254 -15.108
 1143   2HB   ASP   8          3HB       ASP   8  10.889  -8.745 -16.033
 1144    H    ALA   9           H        ALA   9   9.501 -10.805 -15.709
 1145    HA   ALA   9           HA       ALA   9   6.770 -10.631 -16.391
 1146   1HB   ALA   9          1HB       ALA   9   8.462 -11.799 -17.752
 1147   2HB   ALA   9          2HB       ALA   9   8.560 -13.050 -16.513
 1148   3HB   ALA   9          3HB       ALA   9   7.056 -12.805 -17.400
 1149    H    THR  10           H        THR  10   8.493 -12.621 -13.997
 1150    HA   THR  10           HA       THR  10   6.256 -14.157 -13.282
 1151    HB   THR  10           HB       THR  10   8.419 -13.680 -11.282
 1152    HG1  THR  10           HG1      THR  10   9.792 -13.928 -12.935
 1153   1HG2  THR  10          1HG2      THR  10   6.380 -15.454 -11.415
 1154   2HG2  THR  10          2HG2      THR  10   7.653 -16.376 -12.214
 1155   3HG2  THR  10          3HG2      THR  10   7.898 -15.770 -10.578
 1156    H    PHE  11           H        PHE  11   7.578 -11.177 -11.822
 1157    HA   PHE  11           HA       PHE  11   6.025 -11.047  -9.547
 1158   1HB   PHE  11          2HB       PHE  11   7.845  -9.395 -10.669
 1159   2HB   PHE  11          3HB       PHE  11   6.377  -8.492 -11.014
 1160    HD1  PHE  11           HD1      PHE  11   4.709  -8.537  -8.826
 1161    HD2  PHE  11           HD2      PHE  11   8.958  -8.694  -8.801
 1162    HE1  PHE  11           HE1      PHE  11   4.721  -7.621  -6.546
 1163    HE2  PHE  11           HE2      PHE  11   8.981  -7.778  -6.517
 1164    HZ   PHE  11           HZ       PHE  11   6.860  -7.237  -5.388
 1165    H    LYS  12           H        LYS  12   5.232  -9.975 -12.796
 1166    HA   LYS  12           HA       LYS  12   2.652  -8.951 -12.214
 1167   1HB   LYS  12          2HB       LYS  12   3.894  -8.285 -14.208
 1168   2HB   LYS  12          3HB       LYS  12   3.837  -9.932 -14.815
 1169   1HG   LYS  12          2HG       LYS  12   2.217  -8.418 -15.905
 1170   2HG   LYS  12          3HG       LYS  12   1.458  -9.802 -15.116
 1171   1HD   LYS  12          2HD       LYS  12   0.324  -8.503 -13.688
 1172   2HD   LYS  12          3HD       LYS  12   1.723  -7.478 -13.373
 1173   1HE   LYS  12          2HE       LYS  12   0.845  -6.990 -16.029
 1174   2HE   LYS  12          3HE       LYS  12  -0.559  -6.919 -14.966
 1175   1HZ   LYS  12          HZ1       LYS  12   1.646  -5.560 -13.804
 1176   2HZ   LYS  12          HZ2       LYS  12   1.337  -4.957 -15.359
 1177   3HZ   LYS  12          HZ3       LYS  12   0.105  -4.966 -14.194
 1178    H    ALA  13           H        ALA  13   3.874 -12.144 -12.714
 1179    HA   ALA  13           HA       ALA  13   1.366 -13.357 -13.417
 1180   1HB   ALA  13          1HB       ALA  13   4.087 -14.326 -12.727
 1181   2HB   ALA  13          2HB       ALA  13   2.737 -15.444 -12.535
 1182   3HB   ALA  13          3HB       ALA  13   3.062 -14.716 -14.108
 1183    H    GLN  14           H        GLN  14   3.323 -13.137 -10.449
 1184    HA   GLN  14           HA       GLN  14   1.458 -14.530  -8.833
 1185   1HB   GLN  14          2HB       GLN  14   3.706 -12.637  -8.149
 1186   2HB   GLN  14          3HB       GLN  14   2.761 -13.487  -6.935
 1187   1HG   GLN  14          2HG       GLN  14   3.450 -15.592  -8.357
 1188   2HG   GLN  14          3HG       GLN  14   4.768 -14.533  -8.857
 1189   1HE2  GLN  14          1HE2      GLN  14   3.302 -16.228  -6.197
 1190   2HE2  GLN  14          2HE2      GLN  14   4.646 -16.093  -5.109
 1191    H    VAL  15           H        VAL  15   2.186 -11.077  -9.146
 1192    HA   VAL  15           HA       VAL  15   0.258 -10.125  -7.396
 1193    HB   VAL  15           HB       VAL  15   2.009  -8.989  -9.375
 1194   1HG1  VAL  15          1HG1      VAL  15  -0.195  -8.493 -10.511
 1195   2HG1  VAL  15          2HG1      VAL  15  -0.570  -7.464  -9.128
 1196   3HG1  VAL  15          3HG1      VAL  15   0.824  -7.098 -10.145
 1197   1HG2  VAL  15          1HG2      VAL  15   1.851  -8.726  -6.814
 1198   2HG2  VAL  15          2HG2      VAL  15   2.295  -7.320  -7.783
 1199   3HG2  VAL  15          3HG2      VAL  15   0.650  -7.483  -7.170
 1200    H    LYS  16           H        LYS  16  -0.103 -11.131 -10.743
 1201    HA   LYS  16           HA       LYS  16  -2.748 -10.160 -11.142
 1202   1HB   LYS  16          2HB       LYS  16  -0.861 -11.893 -12.546
 1203   2HB   LYS  16          3HB       LYS  16  -2.530 -12.410 -12.730
 1204   1HG   LYS  16          2HG       LYS  16  -3.150 -10.277 -13.641
 1205   2HG   LYS  16          3HG       LYS  16  -1.540  -9.629 -13.316
 1206   1HD   LYS  16          2HD       LYS  16  -1.897 -10.288 -15.694
 1207   2HD   LYS  16          3HD       LYS  16  -0.548 -11.118 -14.916
 1208   1HE   LYS  16          2HE       LYS  16  -2.402 -12.908 -14.382
 1209   2HE   LYS  16          3HE       LYS  16  -3.196 -12.176 -15.773
 1210   1HZ   LYS  16          HZ1       LYS  16  -1.170 -12.609 -17.070
 1211   2HZ   LYS  16          HZ2       LYS  16  -0.482 -13.396 -15.735
 1212   3HZ   LYS  16          HZ3       LYS  16  -1.864 -14.034 -16.474
 1213    H    ALA  17           H        ALA  17  -1.410 -13.184  -9.917
 1214    HA   ALA  17           HA       ALA  17  -3.766 -14.691  -9.856
 1215   1HB   ALA  17          1HB       ALA  17  -1.068 -14.948  -8.873
 1216   2HB   ALA  17          2HB       ALA  17  -2.233 -15.586  -7.712
 1217   3HB   ALA  17          3HB       ALA  17  -2.212 -16.198  -9.366
 1218    H    ALA  18           H        ALA  18  -2.599 -12.220  -7.714
 1219    HA   ALA  18           HA       ALA  18  -4.285 -12.879  -5.497
 1220   1HB   ALA  18          1HB       ALA  18  -2.120 -11.434  -5.570
 1221   2HB   ALA  18          2HB       ALA  18  -3.235 -10.124  -5.964
 1222   3HB   ALA  18          3HB       ALA  18  -3.419 -11.014  -4.451
 1223    H    LYS  19           H        LYS  19  -4.594 -10.869  -8.365
 1224    HA   LYS  19           HA       LYS  19  -7.089  -9.662  -7.575
 1225   1HB   LYS  19          2HB       LYS  19  -6.163  -9.889 -10.413
 1226   2HB   LYS  19          3HB       LYS  19  -7.066  -8.595  -9.644
 1227   1HG   LYS  19          2HG       LYS  19  -5.189  -7.604  -8.788
 1228   2HG   LYS  19          3HG       LYS  19  -4.265  -9.110  -8.778
 1229   1HD   LYS  19          2HD       LYS  19  -3.304  -7.938 -10.539
 1230   2HD   LYS  19          3HD       LYS  19  -4.477  -8.970 -11.360
 1231   1HE   LYS  19          2HE       LYS  19  -5.467  -6.333 -10.485
 1232   2HE   LYS  19          3HE       LYS  19  -4.256  -6.311 -11.765
 1233   1HZ   LYS  19          HZ1       LYS  19  -6.808  -7.831 -11.833
 1234   2HZ   LYS  19          HZ2       LYS  19  -6.502  -6.395 -12.672
 1235   3HZ   LYS  19          HZ3       LYS  19  -5.647  -7.805 -13.063
 1236    H    ALA  20           H        ALA  20  -6.040 -12.587  -8.929
 1237    HA   ALA  20           HA       ALA  20  -8.300 -13.209 -10.534
 1238   1HB   ALA  20          1HB       ALA  20  -5.801 -14.475  -9.824
 1239   2HB   ALA  20          2HB       ALA  20  -7.130 -15.635  -9.882
 1240   3HB   ALA  20          3HB       ALA  20  -6.771 -14.633 -11.289
 1241    H    ASP  21           H        ASP  21  -7.750 -13.408  -7.151
 1242    HA   ASP  21           HA       ASP  21  -9.748 -15.484  -6.766
 1243   1HB   ASP  21          2HB       ASP  21  -7.493 -14.869  -5.379
 1244   2HB   ASP  21          3HB       ASP  21  -8.719 -14.076  -4.392
 1245    H    MET  22           H        MET  22  -9.948 -12.249  -7.311
 1246    HA   MET  22           HA       MET  22 -12.337 -12.005  -5.609
 1247   1HB   MET  22          2HB       MET  22 -10.055 -10.248  -5.990
 1248   2HB   MET  22          3HB       MET  22 -11.573  -9.429  -6.335
 1249   1HG   MET  22          2HG       MET  22 -11.142  -9.041  -4.073
 1250   2HG   MET  22          3HG       MET  22 -12.388 -10.286  -4.111
 1251   1HE   MET  22          1HE       MET  22  -8.593  -9.635  -3.968
 1252   2HE   MET  22          2HE       MET  22  -7.936 -11.116  -3.274
 1253   3HE   MET  22          3HE       MET  22  -8.560 -11.115  -4.923
 1254    H    VAL  23           H        VAL  23 -13.952 -10.448  -6.477
 1255    HA   VAL  23           HA       VAL  23 -14.421 -10.903  -9.313
 1256    HB   VAL  23           HB       VAL  23 -16.071  -9.182  -7.452
 1257   1HG1  VAL  23          1HG1      VAL  23 -16.260  -9.967 -10.226
 1258   2HG1  VAL  23          2HG1      VAL  23 -17.694 -10.453  -9.321
 1259   3HG1  VAL  23          3HG1      VAL  23 -17.187  -8.763  -9.331
 1260   1HG2  VAL  23          1HG2      VAL  23 -16.344 -12.143  -7.969
 1261   2HG2  VAL  23          2HG2      VAL  23 -15.896 -11.382  -6.443
 1262   3HG2  VAL  23          3HG2      VAL  23 -17.513 -11.146  -7.104
 1263    H    MET  24           H        MET  24 -13.094  -9.685 -10.558
 1264    HA   MET  24           HA       MET  24 -12.198  -7.117  -9.682
 1265   1HB   MET  24          2HB       MET  24 -11.785  -8.688 -12.219
 1266   2HB   MET  24          3HB       MET  24 -11.096  -7.087 -11.972
 1267   1HG   MET  24          2HG       MET  24 -10.463  -8.621  -9.693
 1268   2HG   MET  24          3HG       MET  24 -10.123  -9.619 -11.105
 1269   1HE   MET  24          1HE       MET  24  -9.094  -6.830  -8.833
 1270   2HE   MET  24          2HE       MET  24  -7.911  -5.871  -9.723
 1271   3HE   MET  24          3HE       MET  24  -9.628  -5.709 -10.086
 1272    H    LEU  25           H        LEU  25 -13.535  -5.477  -9.683
 1273    HA   LEU  25           HA       LEU  25 -15.188  -4.992 -12.070
 1274   1HB   LEU  25          2HB       LEU  25 -15.872  -5.005  -9.182
 1275   2HB   LEU  25          3HB       LEU  25 -16.600  -3.748 -10.159
 1276    HG   LEU  25           HG       LEU  25 -16.963  -6.721 -10.376
 1277   1HD1  LEU  25          1HD1      LEU  25 -18.389  -4.647  -9.157
 1278   2HD1  LEU  25          2HD1      LEU  25 -19.307  -5.080 -10.602
 1279   3HD1  LEU  25          3HD1      LEU  25 -18.912  -6.313  -9.404
 1280   1HD2  LEU  25          1HD2      LEU  25 -17.067  -4.716 -12.512
 1281   2HD2  LEU  25          2HD2      LEU  25 -16.970  -6.475 -12.607
 1282   3HD2  LEU  25          3HD2      LEU  25 -18.530  -5.691 -12.355
 1283    H    SER  26           H        SER  26 -15.310  -2.925 -12.795
 1284    HA   SER  26           HA       SER  26 -13.228  -1.118 -12.020
 1285   1HB   SER  26          2HB       SER  26 -15.225   0.085 -13.715
 1286   2HB   SER  26          3HB       SER  26 -13.566  -0.370 -14.110
 1287    HG   SER  26           HG       SER  26 -14.289  -2.077 -15.094
 1288    HA   PRO  27           HA       PRO  27 -14.982   1.390  -8.886
 1289   1HB   PRO  27          2HB       PRO  27 -14.722   3.908 -10.145
 1290   2HB   PRO  27          3HB       PRO  27 -13.577   3.140  -9.044
 1291   1HG   PRO  27          2HG       PRO  27 -13.609   3.184 -12.021
 1292   2HG   PRO  27          3HG       PRO  27 -12.228   3.211 -10.908
 1293   1HD   PRO  27          2HD       PRO  27 -12.829   0.983 -12.214
 1294   2HD   PRO  27          3HD       PRO  27 -12.363   0.905 -10.505
 1295    H    LYS  28           H        LYS  28 -16.220   2.012 -12.176
 1296    HA   LYS  28           HA       LYS  28 -18.547   3.402 -11.237
 1297   1HB   LYS  28          2HB       LYS  28 -18.584   2.072 -13.889
 1298   2HB   LYS  28          3HB       LYS  28 -19.102   3.687 -13.435
 1299   1HG   LYS  28          2HG       LYS  28 -16.583   4.172 -13.164
 1300   2HG   LYS  28          3HG       LYS  28 -16.366   2.709 -14.130
 1301   1HD   LYS  28          2HD       LYS  28 -18.319   4.707 -15.116
 1302   2HD   LYS  28          3HD       LYS  28 -16.612   5.138 -15.216
 1303   1HE   LYS  28          2HE       LYS  28 -17.660   2.513 -16.234
 1304   2HE   LYS  28          3HE       LYS  28 -17.655   3.967 -17.229
 1305   1HZ   LYS  28          HZ1       LYS  28 -15.114   3.722 -16.103
 1306   2HZ   LYS  28          HZ2       LYS  28 -15.535   2.190 -16.706
 1307   3HZ   LYS  28          HZ3       LYS  28 -15.556   3.541 -17.735
 1308    H    ASP  29           H        ASP  29 -17.796   0.131 -12.308
 1309    HA   ASP  29           HA       ASP  29 -20.457  -0.854 -12.110
 1310   1HB   ASP  29          2HB       ASP  29 -17.751  -2.066 -12.465
 1311   2HB   ASP  29          3HB       ASP  29 -19.081  -3.118 -11.980
 1312    H    ALA  30           H        ALA  30 -17.758  -0.569  -9.967
 1313    HA   ALA  30           HA       ALA  30 -18.803  -2.212  -7.877
 1314   1HB   ALA  30          1HB       ALA  30 -16.697  -0.055  -7.826
 1315   2HB   ALA  30          2HB       ALA  30 -17.083  -1.119  -6.472
 1316   3HB   ALA  30          3HB       ALA  30 -16.435  -1.794  -7.968
 1317    H    TYR  31           H        TYR  31 -18.802   1.273  -8.562
 1318    HA   TYR  31           HA       TYR  31 -20.171   2.018  -6.196
 1319   1HB   TYR  31          HB2       TYR  31 -18.918   3.683  -7.402
 1320   2HB   TYR  31          HB3       TYR  31 -19.882   3.431  -8.851
 1321    HD1  TYR  31           HD1      TYR  31 -20.230   4.464  -5.287
 1322    HD2  TYR  31           HD2      TYR  31 -21.695   4.828  -9.264
 1323    HE1  TYR  31           HE1      TYR  31 -21.791   6.207  -4.543
 1324    HE2  TYR  31           HE2      TYR  31 -23.264   6.573  -8.535
 1325    HH   TYR  31           HH       TYR  31 -24.408   7.208  -6.345
 1326    H    LYS  32           H        LYS  32 -21.240   0.886  -9.320
 1327    HA   LYS  32           HA       LYS  32 -23.891   1.737  -9.302
 1328   1HB   LYS  32          2HB       LYS  32 -22.516   0.469 -11.117
 1329   2HB   LYS  32          3HB       LYS  32 -23.146  -0.978 -10.341
 1330   1HG   LYS  32          2HG       LYS  32 -25.450   0.090 -10.644
 1331   2HG   LYS  32          3HG       LYS  32 -24.642   1.188 -11.765
 1332   1HD   LYS  32          2HD       LYS  32 -23.698  -1.166 -12.660
 1333   2HD   LYS  32          3HD       LYS  32 -25.265  -1.685 -12.036
 1334   1HE   LYS  32          2HE       LYS  32 -25.642  -1.134 -14.293
 1335   2HE   LYS  32          3HE       LYS  32 -26.264   0.231 -13.368
 1336   1HZ   LYS  32          HZ1       LYS  32 -23.602   0.794 -13.890
 1337   2HZ   LYS  32          HZ2       LYS  32 -24.235   0.196 -15.344
 1338   3HZ   LYS  32          HZ3       LYS  32 -24.966   1.525 -14.589
 1339    H    LEU  33           H        LEU  33 -22.567  -1.359  -8.114
 1340    HA   LEU  33           HA       LEU  33 -25.067  -2.145  -6.953
 1341   1HB   LEU  33          2HB       LEU  33 -23.352  -3.767  -5.709
 1342   2HB   LEU  33          3HB       LEU  33 -23.921  -4.048  -7.341
 1343    HG   LEU  33           HG       LEU  33 -21.675  -2.478  -7.718
 1344   1HD1  LEU  33          1HD1      LEU  33 -21.395  -3.172  -5.151
 1345   2HD1  LEU  33          2HD1      LEU  33 -20.689  -4.601  -5.909
 1346   3HD1  LEU  33          3HD1      LEU  33 -20.026  -3.001  -6.255
 1347   1HD2  LEU  33          1HD2      LEU  33 -22.663  -4.867  -8.583
 1348   2HD2  LEU  33          2HD2      LEU  33 -21.102  -4.192  -9.048
 1349   3HD2  LEU  33          3HD2      LEU  33 -21.200  -5.367  -7.737
 1350    H    LEU  34           H        LEU  34 -22.291  -0.367  -5.920
 1351    HA   LEU  34           HA       LEU  34 -22.516  -0.595  -3.139
 1352   1HB   LEU  34          2HB       LEU  34 -21.162   1.136  -5.057
 1353   2HB   LEU  34          3HB       LEU  34 -21.590   1.965  -3.573
 1354    HG   LEU  34           HG       LEU  34 -20.155  -0.658  -3.461
 1355   1HD1  LEU  34          1HD1      LEU  34 -18.997   1.009  -5.022
 1356   2HD1  LEU  34          2HD1      LEU  34 -18.713   1.973  -3.574
 1357   3HD1  LEU  34          3HD1      LEU  34 -18.051   0.343  -3.692
 1358   1HD2  LEU  34          1HD2      LEU  34 -21.102   0.273  -1.412
 1359   2HD2  LEU  34          2HD2      LEU  34 -19.338   0.274  -1.356
 1360   3HD2  LEU  34          3HD2      LEU  34 -20.210   1.773  -1.676
 1361    H    GLN  35           H        GLN  35 -23.677   2.027  -5.266
 1362    HA   GLN  35           HA       GLN  35 -24.962   3.341  -3.102
 1363   1HB   GLN  35          2HB       GLN  35 -25.471   5.044  -4.605
 1364   2HB   GLN  35          3HB       GLN  35 -23.982   4.361  -5.239
 1365   1HG   GLN  35          2HG       GLN  35 -24.941   3.743  -7.142
 1366   2HG   GLN  35          3HG       GLN  35 -26.372   3.112  -6.329
 1367   1HE2  GLN  35          1HE2      GLN  35 -28.072   4.019  -7.255
 1368   2HE2  GLN  35          2HE2      GLN  35 -28.261   5.723  -7.550
 1369    H    GLU  36           H        GLU  36 -26.011   0.897  -5.311
 1370    HA   GLU  36           HA       GLU  36 -28.810   1.513  -4.926
 1371   1HB   GLU  36          2HB       GLU  36 -27.377   0.222  -6.911
 1372   2HB   GLU  36          3HB       GLU  36 -28.203  -1.094  -6.086
 1373   1HG   GLU  36          2HG       GLU  36 -29.738  -0.520  -7.686
 1374   2HG   GLU  36          3HG       GLU  36 -30.293   0.431  -6.310
 1375    H    ASN  37           H        ASN  37 -26.403  -0.689  -3.691
 1376    HA   ASN  37           HA       ASN  37 -28.442  -1.764  -1.856
 1377   1HB   ASN  37          2HB       ASN  37 -25.958  -3.204  -2.805
 1378   2HB   ASN  37          3HB       ASN  37 -27.209  -3.852  -1.755
 1379   1HD2  ASN  37          1HD2      ASN  37 -26.147  -3.443  -4.913
 1380   2HD2  ASN  37          2HD2      ASN  37 -27.543  -4.060  -5.733
 1381    HA   PRO  38           HA       PRO  38 -25.623   0.473   0.913
 1382   1HB   PRO  38          2HB       PRO  38 -27.794   0.002   2.836
 1383   2HB   PRO  38          3HB       PRO  38 -27.091   1.527   2.291
 1384   1HG   PRO  38          2HG       PRO  38 -29.559   0.788   1.557
 1385   2HG   PRO  38          3HG       PRO  38 -28.486   1.667   0.452
 1386   1HD   PRO  38          2HD       PRO  38 -29.102  -1.268   0.555
 1387   2HD   PRO  38          3HD       PRO  38 -29.003  -0.190  -0.856
 1388    H    ASP  39           H        ASP  39 -26.414  -2.657   0.678
 1389    HA   ASP  39           HA       ASP  39 -25.301  -3.495   3.241
 1390   1HB   ASP  39          2HB       ASP  39 -27.266  -4.633   1.713
 1391   2HB   ASP  39          3HB       ASP  39 -25.856  -5.540   1.177
 1392    H    ILE  40           H        ILE  40 -24.555  -3.094  -0.100
 1393    HA   ILE  40           HA       ILE  40 -22.038  -4.521   0.065
 1394    HB   ILE  40           HB       ILE  40 -22.967  -2.684  -2.146
 1395   1HG1  ILE  40          2HG1      ILE  40 -23.466  -5.634  -1.706
 1396   2HG1  ILE  40          3HG1      ILE  40 -24.665  -4.364  -1.919
 1397   1HG2  ILE  40          1HG2      ILE  40 -20.595  -4.275  -1.673
 1398   2HG2  ILE  40          2HG2      ILE  40 -21.395  -4.731  -3.177
 1399   3HG2  ILE  40          3HG2      ILE  40 -20.908  -3.057  -2.911
 1400   1HD1  ILE  40          1HD1      ILE  40 -22.713  -5.124  -4.066
 1401   2HD1  ILE  40          2HD1      ILE  40 -24.284  -5.902  -3.875
 1402   3HD1  ILE  40          3HD1      ILE  40 -24.192  -4.173  -4.215
 1403    H    THR  41           H        THR  41 -20.507  -3.609   1.234
 1404    HA   THR  41           HA       THR  41 -20.364  -0.691   1.380
 1405    HB   THR  41           HB       THR  41 -18.665  -2.520   3.041
 1406    HG1  THR  41           HG1      THR  41 -21.057  -3.115   2.972
 1407   1HG2  THR  41          1HG2      THR  41 -18.589   0.056   3.042
 1408   2HG2  THR  41          2HG2      THR  41 -20.124  -0.041   3.900
 1409   3HG2  THR  41          3HG2      THR  41 -18.678  -0.771   4.595
 1410    H    LEU  42           H        LEU  42 -18.454   0.468   0.897
 1411    HA   LEU  42           HA       LEU  42 -16.488  -1.049  -0.664
 1412   1HB   LEU  42          2HB       LEU  42 -17.397   0.773  -1.938
 1413   2HB   LEU  42          3HB       LEU  42 -17.154   1.895  -0.611
 1414    HG   LEU  42           HG       LEU  42 -14.628   1.316  -0.938
 1415   1HD1  LEU  42          1HD1      LEU  42 -15.915   0.022  -3.227
 1416   2HD1  LEU  42          2HD1      LEU  42 -14.562   1.076  -3.641
 1417   3HD1  LEU  42          3HD1      LEU  42 -14.329  -0.253  -2.505
 1418   1HD2  LEU  42          1HD2      LEU  42 -15.952   3.466  -1.476
 1419   2HD2  LEU  42          2HD2      LEU  42 -14.374   3.225  -2.226
 1420   3HD2  LEU  42          3HD2      LEU  42 -15.846   2.922  -3.150
 1421    H    ILE  43           H        ILE  43 -14.630  -1.472   0.239
 1422    HA   ILE  43           HA       ILE  43 -13.794   0.098   2.577
 1423    HB   ILE  43           HB       ILE  43 -13.068  -2.690   1.677
 1424   1HG1  ILE  43          2HG1      ILE  43 -14.224  -1.656   4.271
 1425   2HG1  ILE  43          3HG1      ILE  43 -15.180  -2.334   2.956
 1426   1HG2  ILE  43          1HG2      ILE  43 -11.421  -0.832   3.092
 1427   2HG2  ILE  43          2HG2      ILE  43 -11.882  -2.143   4.176
 1428   3HG2  ILE  43          3HG2      ILE  43 -11.080  -2.504   2.648
 1429   1HD1  ILE  43          1HD1      ILE  43 -13.070  -4.139   3.693
 1430   2HD1  ILE  43          2HD1      ILE  43 -14.043  -3.700   5.099
 1431   3HD1  ILE  43          3HD1      ILE  43 -14.816  -4.395   3.673
 1432    H    ASP  44           H        ASP  44 -12.464   1.681   2.019
 1433    HA   ASP  44           HA       ASP  44 -10.683   1.250  -0.266
 1434   1HB   ASP  44          2HB       ASP  44 -11.649   3.292  -0.683
 1435   2HB   ASP  44          3HB       ASP  44 -11.862   3.660   1.021
 1436    H    VAL  45           H        VAL  45  -8.608   0.974  -0.022
 1437    HA   VAL  45           HA       VAL  45  -7.431   1.461   2.638
 1438    HB   VAL  45           HB       VAL  45  -5.718  -0.362   1.669
 1439   1HG1  VAL  45          1HG1      VAL  45  -8.290  -0.840   3.152
 1440   2HG1  VAL  45          2HG1      VAL  45  -7.051  -2.078   2.952
 1441   3HG1  VAL  45          3HG1      VAL  45  -6.677  -0.588   3.820
 1442   1HG2  VAL  45          1HG2      VAL  45  -7.384  -0.522  -0.360
 1443   2HG2  VAL  45          2HG2      VAL  45  -6.602  -1.964   0.286
 1444   3HG2  VAL  45          3HG2      VAL  45  -8.266  -1.591   0.731
 1445    H    ARG  46           H        ARG  46  -6.590   3.416   2.247
 1446    HA   ARG  46           HA       ARG  46  -4.286   3.554   0.514
 1447   1HB   ARG  46          2HB       ARG  46  -6.840   4.594  -0.314
 1448   2HB   ARG  46          3HB       ARG  46  -5.706   5.919  -0.092
 1449   1HG   ARG  46          2HG       ARG  46  -4.840   3.528  -1.640
 1450   2HG   ARG  46          3HG       ARG  46  -5.925   4.696  -2.394
 1451   1HD   ARG  46          2HD       ARG  46  -3.572   5.809  -0.995
 1452   2HD   ARG  46          3HD       ARG  46  -3.244   4.896  -2.469
 1453    HE   ARG  46           HE       ARG  46  -5.348   6.742  -2.889
 1454   1HH1  ARG  46          1HH1      ARG  46  -1.843   6.611  -2.564
 1455   2HH1  ARG  46          2HH1      ARG  46  -1.593   8.077  -3.465
 1456   1HH2  ARG  46          1HH2      ARG  46  -4.996   8.635  -4.087
 1457   2HH2  ARG  46          2HH2      ARG  46  -3.370   9.225  -4.333
 1458    H    ASP  47           H        ASP  47  -3.234   5.692   0.702
 1459    HA   ASP  47           HA       ASP  47  -2.923   6.286   3.462
 1460   1HB   ASP  47          2HB       ASP  47  -1.678   7.653   1.061
 1461   2HB   ASP  47          3HB       ASP  47  -1.098   7.727   2.722
 1462    HA   PRO  48           HA       PRO  48  -6.108   9.275   3.693
 1463   1HB   PRO  48          2HB       PRO  48  -5.338  10.412   6.089
 1464   2HB   PRO  48          3HB       PRO  48  -6.255   8.910   5.930
 1465   1HG   PRO  48          2HG       PRO  48  -3.326   9.305   6.370
 1466   2HG   PRO  48          3HG       PRO  48  -4.419   8.113   7.099
 1467   1HD   PRO  48          2HD       PRO  48  -2.757   7.443   5.109
 1468   2HD   PRO  48          3HD       PRO  48  -4.388   6.750   5.225
 1469    H    ASP  49           H        ASP  49  -2.760  10.193   3.702
 1470    HA   ASP  49           HA       ASP  49  -3.142  12.997   3.825
 1471   1HB   ASP  49          2HB       ASP  49  -0.963  11.312   3.841
 1472   2HB   ASP  49          3HB       ASP  49  -0.816  12.124   2.287
 1473    H    GLU  50           H        GLU  50  -2.763  10.735   1.129
 1474    HA   GLU  50           HA       GLU  50  -3.133  12.745  -0.879
 1475   1HB   GLU  50          2HB       GLU  50  -2.730   9.829  -0.807
 1476   2HB   GLU  50          3HB       GLU  50  -3.721  10.401  -2.144
 1477   1HG   GLU  50          2HG       GLU  50  -1.758  12.150  -2.378
 1478   2HG   GLU  50          3HG       GLU  50  -0.853  10.873  -1.567
 1479    H    LEU  51           H        LEU  51  -5.184  10.515   0.868
 1480    HA   LEU  51           HA       LEU  51  -7.554  10.732  -0.640
 1481   1HB   LEU  51          2HB       LEU  51  -6.733   9.609   1.834
 1482   2HB   LEU  51          3HB       LEU  51  -8.129  10.613   2.167
 1483    HG   LEU  51           HG       LEU  51  -9.280   9.347   0.257
 1484   1HD1  LEU  51          1HD1      LEU  51  -7.041   8.364  -0.496
 1485   2HD1  LEU  51          2HD1      LEU  51  -7.225   7.247   0.858
 1486   3HD1  LEU  51          3HD1      LEU  51  -8.432   7.282  -0.427
 1487   1HD2  LEU  51          1HD2      LEU  51  -8.821   8.681   3.026
 1488   2HD2  LEU  51          2HD2      LEU  51 -10.301   8.575   2.071
 1489   3HD2  LEU  51          3HD2      LEU  51  -9.150   7.237   2.065
 1490    H    LYS  52           H        LYS  52  -6.307  12.604   2.066
 1491    HA   LYS  52           HA       LYS  52  -8.494  14.367   2.305
 1492   1HB   LYS  52          2HB       LYS  52  -5.710  14.271   3.318
 1493   2HB   LYS  52          3HB       LYS  52  -6.495  15.844   3.327
 1494   1HG   LYS  52          2HG       LYS  52  -8.009  15.236   4.920
 1495   2HG   LYS  52          3HG       LYS  52  -7.982  13.535   4.454
 1496   1HD   LYS  52          2HD       LYS  52  -6.942  13.868   6.639
 1497   2HD   LYS  52          3HD       LYS  52  -5.764  13.292   5.458
 1498   1HE   LYS  52          2HE       LYS  52  -4.847  15.481   5.200
 1499   2HE   LYS  52          3HE       LYS  52  -6.144  16.196   6.156
 1500   1HZ   LYS  52          HZ1       LYS  52  -5.295  14.808   8.055
 1501   2HZ   LYS  52          HZ2       LYS  52  -3.936  14.455   7.102
 1502   3HZ   LYS  52          HZ3       LYS  52  -4.267  16.058   7.546
 1503    H    ALA  53           H        ALA  53  -5.528  14.523   0.410
 1504    HA   ALA  53           HA       ALA  53  -5.956  17.260  -0.338
 1505   1HB   ALA  53          1HB       ALA  53  -3.785  15.480  -0.328
 1506   2HB   ALA  53          2HB       ALA  53  -4.014  15.988  -2.003
 1507   3HB   ALA  53          3HB       ALA  53  -3.783  17.196  -0.738
 1508    H    MET  54           H        MET  54  -6.056  14.172  -2.139
 1509    HA   MET  54           HA       MET  54  -6.948  15.637  -4.489
 1510   1HB   MET  54          2HB       MET  54  -5.868  12.912  -3.972
 1511   2HB   MET  54          3HB       MET  54  -6.858  13.146  -5.405
 1512   1HG   MET  54          2HG       MET  54  -5.116  15.278  -5.484
 1513   2HG   MET  54          3HG       MET  54  -4.122  13.955  -4.876
 1514   1HE   MET  54          1HE       MET  54  -2.650  12.960  -6.454
 1515   2HE   MET  54          2HE       MET  54  -3.773  11.615  -6.256
 1516   3HE   MET  54          3HE       MET  54  -3.186  12.045  -7.862
 1517    H    GLY  55           H        GLY  55  -8.243  13.236  -2.247
 1518   1HA   GLY  55          1HA       GLY  55 -10.729  13.730  -1.999
 1519   2HA   GLY  55          2HA       GLY  55 -10.775  13.348  -3.709
 1520    H    LYS  56           H        LYS  56 -12.275  12.050  -1.751
 1521    HA   LYS  56           HA       LYS  56 -11.330   9.300  -2.114
 1522   1HB   LYS  56          2HB       LYS  56 -12.155   8.769   0.209
 1523   2HB   LYS  56          3HB       LYS  56 -10.700   9.753   0.160
 1524   1HG   LYS  56          2HG       LYS  56 -12.982  11.470   0.203
 1525   2HG   LYS  56          3HG       LYS  56 -13.118  10.284   1.504
 1526   1HD   LYS  56          2HD       LYS  56 -11.269  11.064   2.591
 1527   2HD   LYS  56          3HD       LYS  56 -10.487  11.596   1.100
 1528   1HE   LYS  56          2HE       LYS  56 -12.946  13.041   1.694
 1529   2HE   LYS  56          3HE       LYS  56 -11.718  13.220   2.946
 1530   1HZ   LYS  56          HZ1       LYS  56 -10.305  13.549   0.663
 1531   2HZ   LYS  56          HZ2       LYS  56 -11.783  14.286   0.275
 1532   3HZ   LYS  56          HZ3       LYS  56 -10.907  14.810   1.627
 1533    HA   PRO  57           HA       PRO  57 -15.430   8.566  -3.548
 1534   1HB   PRO  57          2HB       PRO  57 -16.120   6.246  -2.167
 1535   2HB   PRO  57          3HB       PRO  57 -15.250   6.318  -3.703
 1536   1HG   PRO  57          2HG       PRO  57 -14.188   5.965  -0.936
 1537   2HG   PRO  57          3HG       PRO  57 -13.621   5.253  -2.457
 1538   1HD   PRO  57          2HD       PRO  57 -12.318   7.287  -1.276
 1539   2HD   PRO  57          3HD       PRO  57 -12.425   7.146  -3.044
 1540    H    ASP  58           H        ASP  58 -17.151   9.701  -2.991
 1541    HA   ASP  58           HA       ASP  58 -17.918   9.855  -0.160
 1542   1HB   ASP  58          2HB       ASP  58 -17.471  11.992  -1.348
 1543   2HB   ASP  58          3HB       ASP  58 -18.773  11.617  -2.471
 1544    H    VAL  59           H        VAL  59 -18.808   7.675  -0.393
 1545    HA   VAL  59           HA       VAL  59 -21.423   7.681  -1.744
 1546    HB   VAL  59           HB       VAL  59 -21.255   5.371  -2.170
 1547   1HG1  VAL  59          1HG1      VAL  59 -19.019   7.073  -2.898
 1548   2HG1  VAL  59          2HG1      VAL  59 -18.598   5.360  -2.916
 1549   3HG1  VAL  59          3HG1      VAL  59 -19.954   5.946  -3.882
 1550   1HG2  VAL  59          1HG2      VAL  59 -19.314   5.402   0.037
 1551   2HG2  VAL  59          2HG2      VAL  59 -20.471   4.161  -0.442
 1552   3HG2  VAL  59          3HG2      VAL  59 -18.930   4.304  -1.289
 1553    H    LYS  60           H        LYS  60 -23.013   6.116  -0.731
 1554    HA   LYS  60           HA       LYS  60 -23.592   7.028   1.837
 1555   1HB   LYS  60          2HB       LYS  60 -24.735   4.525   0.611
 1556   2HB   LYS  60          3HB       LYS  60 -25.492   5.588   1.788
 1557   1HG   LYS  60          2HG       LYS  60 -26.229   7.003   0.221
 1558   2HG   LYS  60          3HG       LYS  60 -24.734   6.908  -0.712
 1559   1HD   LYS  60          2HD       LYS  60 -25.580   5.362  -2.094
 1560   2HD   LYS  60          3HD       LYS  60 -26.249   4.421  -0.760
 1561   1HE   LYS  60          2HE       LYS  60 -27.620   6.958  -1.370
 1562   2HE   LYS  60          3HE       LYS  60 -27.747   5.701  -2.598
 1563   1HZ   LYS  60          HZ1       LYS  60 -28.184   4.695   0.049
 1564   2HZ   LYS  60          HZ2       LYS  60 -29.283   5.919  -0.359
 1565   3HZ   LYS  60          HZ3       LYS  60 -29.148   4.541  -1.337
 1566    H    ASN  61           H        ASN  61 -22.203   3.928   0.799
 1567    HA   ASN  61           HA       ASN  61 -21.657   3.369   3.633
 1568   1HB   ASN  61          2HB       ASN  61 -21.602   0.923   2.164
 1569   2HB   ASN  61          3HB       ASN  61 -22.670   1.383   3.481
 1570   1HD2  ASN  61          1HD2      ASN  61 -22.673   0.158   0.517
 1571   2HD2  ASN  61          2HD2      ASN  61 -24.198   0.728  -0.063
 1572    H    TYR  62           H        TYR  62 -19.679   4.529   3.272
 1573    HA   TYR  62           HA       TYR  62 -17.643   2.800   2.044
 1574   1HB   TYR  62          HB2       TYR  62 -17.540   4.647   0.634
 1575   2HB   TYR  62          HB3       TYR  62 -17.990   5.775   1.904
 1576    HD1  TYR  62           HD1      TYR  62 -15.218   3.285   1.565
 1577    HD2  TYR  62           HD2      TYR  62 -16.326   7.342   2.191
 1578    HE1  TYR  62           HE1      TYR  62 -12.861   3.866   1.897
 1579    HE2  TYR  62           HE2      TYR  62 -13.962   7.948   2.512
 1580    HH   TYR  62           HH       TYR  62 -11.384   5.842   1.744
 1581    H    LYS  63           H        LYS  63 -16.122   2.110   3.404
 1582    HA   LYS  63           HA       LYS  63 -15.687   3.627   5.888
 1583   1HB   LYS  63          2HB       LYS  63 -15.466   0.618   5.665
 1584   2HB   LYS  63          3HB       LYS  63 -15.343   1.594   7.120
 1585   1HG   LYS  63          2HG       LYS  63 -17.732   2.281   6.689
 1586   2HG   LYS  63          3HG       LYS  63 -17.790   0.968   5.516
 1587   1HD   LYS  63          2HD       LYS  63 -16.764  -0.362   7.597
 1588   2HD   LYS  63          3HD       LYS  63 -17.654   0.882   8.479
 1589   1HE   LYS  63          2HE       LYS  63 -19.390  -0.009   6.476
 1590   2HE   LYS  63          3HE       LYS  63 -18.632  -1.466   7.118
 1591   1HZ   LYS  63          HZ1       LYS  63 -19.696   0.548   8.984
 1592   2HZ   LYS  63          HZ2       LYS  63 -20.772  -0.511   8.206
 1593   3HZ   LYS  63          HZ3       LYS  63 -19.536  -1.129   9.184
 1594    H    HIS  64           H        HIS  64 -13.644   4.334   6.086
 1595    HA   HIS  64           HA       HIS  64 -11.653   3.373   4.203
 1596   1HB   HIS  64          2HB       HIS  64 -11.934   5.802   4.611
 1597   2HB   HIS  64          3HB       HIS  64 -11.461   5.560   6.291
 1598    HD1  HIS  64           HD1      HIS  64  -9.278   6.834   6.307
 1599    HD2  HIS  64           HD2      HIS  64  -9.487   4.027   3.242
 1600    HE1  HIS  64           HE1      HIS  64  -6.986   6.780   5.269
 1601    HE2  HIS  64           HE2      HIS  64  -7.204   5.233   3.300
 1602    H    MET  65           H        MET  65 -10.080   1.991   4.676
 1603    HA   MET  65           HA       MET  65  -9.528   1.438   7.508
 1604   1HB   MET  65          2HB       MET  65 -10.078  -0.360   5.322
 1605   2HB   MET  65          3HB       MET  65  -8.446  -0.630   5.919
 1606   1HG   MET  65          2HG       MET  65  -9.204  -1.698   7.699
 1607   2HG   MET  65          3HG       MET  65 -10.264  -0.355   8.118
 1608   1HE   MET  65          1HE       MET  65 -12.550   0.019   7.271
 1609   2HE   MET  65          2HE       MET  65 -12.391  -0.320   5.548
 1610   3HE   MET  65          3HE       MET  65 -13.599  -1.175   6.508
 1611    H    SER  66           H        SER  66  -7.226   0.859   7.884
 1612    HA   SER  66           HA       SER  66  -5.546   2.788   6.576
 1613   1HB   SER  66          2HB       SER  66  -4.359   0.817   8.444
 1614   2HB   SER  66          3HB       SER  66  -4.195   2.573   8.401
 1615    HG   SER  66           HG       SER  66  -6.518   2.523   9.105
 1616    H    ARG  67           H        ARG  67  -3.862   2.393   5.210
 1617    HA   ARG  67           HA       ARG  67  -4.109   0.481   3.309
 1618   1HB   ARG  67          2HB       ARG  67  -1.297   1.061   3.583
 1619   2HB   ARG  67          3HB       ARG  67  -2.421   1.577   2.336
 1620   1HG   ARG  67          2HG       ARG  67  -2.609   3.634   3.194
 1621   2HG   ARG  67          3HG       ARG  67  -2.707   3.036   4.852
 1622   1HD   ARG  67          2HD       ARG  67  -0.073   2.554   3.988
 1623   2HD   ARG  67          3HD       ARG  67  -0.473   4.189   3.463
 1624    HE   ARG  67           HE       ARG  67  -0.679   3.247   6.255
 1625   1HH1  ARG  67          1HH1      ARG  67   0.123   5.727   3.901
 1626   2HH1  ARG  67          2HH1      ARG  67   0.449   6.946   5.105
 1627   1HH2  ARG  67          1HH2      ARG  67  -0.234   4.834   7.833
 1628   2HH2  ARG  67          2HH2      ARG  67   0.262   6.421   7.342
 1629    H    GLY  68           H        GLY  68  -1.918   0.298   6.073
 1630   1HA   GLY  68          1HA       GLY  68  -1.514  -2.560   5.509
 1631   2HA   GLY  68          2HA       GLY  68  -0.448  -1.568   6.497
 1632    H    LYS  69           H        LYS  69  -2.257  -0.277   8.083
 1633    HA   LYS  69           HA       LYS  69  -2.792  -2.366   9.970
 1634   1HB   LYS  69          2HB       LYS  69  -2.137   0.345  10.110
 1635   2HB   LYS  69          3HB       LYS  69  -3.765   0.239  10.768
 1636   1HG   LYS  69          2HG       LYS  69  -3.066  -1.345  12.414
 1637   2HG   LYS  69          3HG       LYS  69  -1.468  -1.478  11.675
 1638   1HD   LYS  69          2HD       LYS  69  -0.778   0.150  13.018
 1639   2HD   LYS  69          3HD       LYS  69  -1.855   1.252  12.157
 1640   1HE   LYS  69          2HE       LYS  69  -2.717   1.552  14.227
 1641   2HE   LYS  69          3HE       LYS  69  -3.623   0.097  13.811
 1642   1HZ   LYS  69          HZ1       LYS  69  -1.047  -0.481  14.935
 1643   2HZ   LYS  69          HZ2       LYS  69  -2.030   0.414  15.991
 1644   3HZ   LYS  69          HZ3       LYS  69  -2.579  -1.066  15.379
 1645    H    LEU  70           H        LEU  70  -4.469  -2.495   7.662
 1646    HA   LEU  70           HA       LEU  70  -7.109  -1.634   8.450
 1647   1HB   LEU  70          2HB       LEU  70  -7.816  -2.393   6.429
 1648   2HB   LEU  70          3HB       LEU  70  -6.113  -2.241   6.051
 1649    HG   LEU  70           HG       LEU  70  -6.574  -4.857   7.103
 1650   1HD1  LEU  70          1HD1      LEU  70  -8.871  -3.898   5.882
 1651   2HD1  LEU  70          2HD1      LEU  70  -8.071  -4.851   4.632
 1652   3HD1  LEU  70          3HD1      LEU  70  -8.461  -5.586   6.189
 1653   1HD2  LEU  70          1HD2      LEU  70  -5.467  -3.554   4.710
 1654   2HD2  LEU  70          2HD2      LEU  70  -4.819  -4.865   5.695
 1655   3HD2  LEU  70          3HD2      LEU  70  -6.048  -5.204   4.474
 1656    H    GLU  71           H        GLU  71  -4.988  -4.260   8.925
 1657    HA   GLU  71           HA       GLU  71  -6.642  -6.384   9.540
 1658   1HB   GLU  71          2HB       GLU  71  -4.522  -6.332  11.495
 1659   2HB   GLU  71          3HB       GLU  71  -4.750  -7.412  10.128
 1660   1HG   GLU  71          2HG       GLU  71  -3.105  -6.445   9.008
 1661   2HG   GLU  71          3HG       GLU  71  -3.815  -4.847   9.233
 1662    HA   PRO  72           HA       PRO  72  -7.284  -4.963  14.073
 1663   1HB   PRO  72          2HB       PRO  72  -6.181  -2.318  14.447
 1664   2HB   PRO  72          3HB       PRO  72  -5.781  -3.813  15.295
 1665   1HG   PRO  72          2HG       PRO  72  -4.072  -2.533  13.597
 1666   2HG   PRO  72          3HG       PRO  72  -4.028  -4.277  13.913
 1667   1HD   PRO  72          2HD       PRO  72  -5.209  -2.796  11.596
 1668   2HD   PRO  72          3HD       PRO  72  -4.288  -4.316  11.612
 1669    H    LEU  73           H        LEU  73  -7.561  -2.779  11.414
 1670    HA   LEU  73           HA       LEU  73  -9.505  -1.081  12.717
 1671   1HB   LEU  73          2HB       LEU  73  -7.786  -0.922  10.449
 1672   2HB   LEU  73          3HB       LEU  73  -9.427  -0.660   9.891
 1673    HG   LEU  73           HG       LEU  73  -8.052   1.389  10.543
 1674   1HD1  LEU  73          1HD1      LEU  73 -10.823   0.739  10.999
 1675   2HD1  LEU  73          2HD1      LEU  73 -10.265   1.999  12.100
 1676   3HD1  LEU  73          3HD1      LEU  73 -10.097   2.213  10.357
 1677   1HD2  LEU  73          1HD2      LEU  73  -7.435   0.111  12.778
 1678   2HD2  LEU  73          2HD2      LEU  73  -7.570   1.868  12.716
 1679   3HD2  LEU  73          3HD2      LEU  73  -8.906   0.903  13.344
 1680    H    LEU  74           H        LEU  74  -9.655  -4.069  11.261
 1681    HA   LEU  74           HA       LEU  74 -11.903  -3.856   9.610
 1682   1HB   LEU  74          2HB       LEU  74 -10.145  -5.823  10.212
 1683   2HB   LEU  74          3HB       LEU  74 -11.558  -6.391  11.077
 1684    HG   LEU  74           HG       LEU  74 -12.859  -6.374   9.013
 1685   1HD1  LEU  74          1HD1      LEU  74 -11.479  -4.489   7.987
 1686   2HD1  LEU  74          2HD1      LEU  74 -10.334  -5.745   7.515
 1687   3HD1  LEU  74          3HD1      LEU  74 -11.991  -5.793   6.914
 1688   1HD2  LEU  74          1HD2      LEU  74 -10.465  -7.990   9.437
 1689   2HD2  LEU  74          2HD2      LEU  74 -12.118  -8.480   9.060
 1690   3HD2  LEU  74          3HD2      LEU  74 -11.031  -7.979   7.766
 1691    H    ALA  75           H        ALA  75 -11.757  -5.037  12.991
 1692    HA   ALA  75           HA       ALA  75 -14.586  -5.226  13.237
 1693   1HB   ALA  75          1HB       ALA  75 -12.364  -5.947  14.786
 1694   2HB   ALA  75          2HB       ALA  75 -13.333  -4.869  15.790
 1695   3HB   ALA  75          3HB       ALA  75 -14.060  -6.317  15.094
 1696    H    LYS  76           H        LYS  76 -12.364  -2.629  13.578
 1697    HA   LYS  76           HA       LYS  76 -13.958  -1.009  15.292
 1698   1HB   LYS  76          2HB       LYS  76 -11.889   0.123  13.452
 1699   2HB   LYS  76          3HB       LYS  76 -12.320   0.623  15.082
 1700   1HG   LYS  76          2HG       LYS  76 -11.007  -2.004  14.471
 1701   2HG   LYS  76          3HG       LYS  76 -10.111  -0.532  14.828
 1702   1HD   LYS  76          2HD       LYS  76 -11.289  -0.386  17.003
 1703   2HD   LYS  76          3HD       LYS  76 -12.091  -1.915  16.637
 1704   1HE   LYS  76          2HE       LYS  76  -9.097  -1.626  16.685
 1705   2HE   LYS  76          3HE       LYS  76 -10.031  -2.023  18.125
 1706   1HZ   LYS  76          HZ1       LYS  76 -10.110  -3.619  15.617
 1707   2HZ   LYS  76          HZ2       LYS  76  -9.106  -3.975  16.929
 1708   3HZ   LYS  76          HZ3       LYS  76 -10.788  -4.030  17.118
 1709    H    SER  77           H        SER  77 -13.684  -1.444  11.849
 1710    HA   SER  77           HA       SER  77 -15.229   0.864  11.150
 1711   1HB   SER  77          2HB       SER  77 -14.627  -1.612   9.510
 1712   2HB   SER  77          3HB       SER  77 -15.206  -0.062   8.897
 1713    HG   SER  77           HG       SER  77 -12.683  -0.709  10.001
 1714    H    GLY  78           H        GLY  78 -15.852  -2.579  11.676
 1715   1HA   GLY  78          1HA       GLY  78 -17.876  -3.428  12.511
 1716   2HA   GLY  78          2HA       GLY  78 -18.679  -1.940  12.024
 1717    H    LEU  79           H        LEU  79 -17.296  -4.955  10.834
 1718    HA   LEU  79           HA       LEU  79 -19.058  -4.723   8.481
 1719   1HB   LEU  79          2HB       LEU  79 -16.319  -5.974   8.658
 1720   2HB   LEU  79          3HB       LEU  79 -17.369  -6.073   7.256
 1721    HG   LEU  79           HG       LEU  79 -16.809  -3.339   8.208
 1722   1HD1  LEU  79          1HD1      LEU  79 -14.636  -4.399   8.575
 1723   2HD1  LEU  79          2HD1      LEU  79 -14.649  -4.994   6.916
 1724   3HD1  LEU  79          3HD1      LEU  79 -14.591  -3.261   7.230
 1725   1HD2  LEU  79          1HD2      LEU  79 -16.755  -4.688   5.512
 1726   2HD2  LEU  79          2HD2      LEU  79 -18.099  -3.774   6.197
 1727   3HD2  LEU  79          3HD2      LEU  79 -16.589  -2.955   5.799
 1728    H    ASP  80           H        ASP  80 -20.212  -6.525   7.855
 1729    HA   ASP  80           HA       ASP  80 -20.069  -8.847   9.648
 1730   1HB   ASP  80          2HB       ASP  80 -22.215  -8.214  10.090
 1731   2HB   ASP  80          3HB       ASP  80 -22.333  -7.240   8.631
 1732    HA   PRO  81           HA       PRO  81 -18.591 -11.023   6.164
 1733   1HB   PRO  81          2HB       PRO  81 -19.427 -13.566   6.838
 1734   2HB   PRO  81          3HB       PRO  81 -17.986 -12.762   7.480
 1735   1HG   PRO  81          2HG       PRO  81 -20.711 -13.018   8.684
 1736   2HG   PRO  81          3HG       PRO  81 -19.125 -13.162   9.462
 1737   1HD   PRO  81          2HD       PRO  81 -20.588 -10.940   9.709
 1738   2HD   PRO  81          3HD       PRO  81 -18.819 -10.859   9.542
 1739    H    GLU  82           H        GLU  82 -21.874 -10.575   6.588
 1740    HA   GLU  82           HA       GLU  82 -22.581 -12.211   4.262
 1741   1HB   GLU  82          2HB       GLU  82 -24.235 -10.768   6.323
 1742   2HB   GLU  82          3HB       GLU  82 -24.934 -11.447   4.860
 1743   1HG   GLU  82          2HG       GLU  82 -23.249 -13.284   6.407
 1744   2HG   GLU  82          3HG       GLU  82 -24.729 -12.755   7.208
 1745    H    LYS  83           H        LYS  83 -21.646  -9.086   5.089
 1746    HA   LYS  83           HA       LYS  83 -23.160  -7.710   3.040
 1747   1HB   LYS  83          2HB       LYS  83 -20.736  -6.554   4.386
 1748   2HB   LYS  83          3HB       LYS  83 -22.162  -5.725   3.783
 1749   1HG   LYS  83          2HG       LYS  83 -22.740  -7.601   5.933
 1750   2HG   LYS  83          3HG       LYS  83 -21.629  -6.312   6.397
 1751   1HD   LYS  83          2HD       LYS  83 -23.272  -4.810   6.432
 1752   2HD   LYS  83          3HD       LYS  83 -23.823  -5.287   4.825
 1753   1HE   LYS  83          2HE       LYS  83 -24.573  -6.519   7.468
 1754   2HE   LYS  83          3HE       LYS  83 -25.623  -5.652   6.347
 1755   1HZ   LYS  83          HZ1       LYS  83 -25.014  -7.481   4.707
 1756   2HZ   LYS  83          HZ2       LYS  83 -24.446  -8.348   6.058
 1757   3HZ   LYS  83          HZ3       LYS  83 -26.078  -7.882   5.964
 1758    HA   PRO  84           HA       PRO  84 -20.137  -8.686  -0.161
 1759   1HB   PRO  84          2HB       PRO  84 -21.667  -6.701  -1.696
 1760   2HB   PRO  84          3HB       PRO  84 -21.395  -8.413  -2.043
 1761   1HG   PRO  84          2HG       PRO  84 -23.804  -7.501  -1.290
 1762   2HG   PRO  84          3HG       PRO  84 -23.207  -9.093  -0.790
 1763   1HD   PRO  84          2HD       PRO  84 -23.255  -6.522   0.764
 1764   2HD   PRO  84          3HD       PRO  84 -23.699  -8.167   1.290
 1765    H    VAL  85           H        VAL  85 -18.238  -7.666  -0.447
 1766    HA   VAL  85           HA       VAL  85 -18.148  -4.768   0.055
 1767    HB   VAL  85           HB       VAL  85 -15.773  -5.470   1.037
 1768   1HG1  VAL  85          1HG1      VAL  85 -17.691  -4.214   2.111
 1769   2HG1  VAL  85          2HG1      VAL  85 -18.233  -5.771   2.738
 1770   3HG1  VAL  85          3HG1      VAL  85 -16.653  -5.135   3.199
 1771   1HG2  VAL  85          1HG2      VAL  85 -16.910  -7.962   0.643
 1772   2HG2  VAL  85          2HG2      VAL  85 -15.517  -7.595   1.663
 1773   3HG2  VAL  85          3HG2      VAL  85 -17.134  -7.660   2.366
 1774    H    VAL  86           H        VAL  86 -16.668  -3.585  -1.082
 1775    HA   VAL  86           HA       VAL  86 -15.013  -5.060  -3.011
 1776    HB   VAL  86           HB       VAL  86 -16.576  -4.099  -4.444
 1777   1HG1  VAL  86          1HG1      VAL  86 -16.996  -2.259  -2.295
 1778   2HG1  VAL  86          2HG1      VAL  86 -16.836  -1.379  -3.817
 1779   3HG1  VAL  86          3HG1      VAL  86 -18.048  -2.652  -3.657
 1780   1HG2  VAL  86          1HG2      VAL  86 -14.097  -3.299  -4.752
 1781   2HG2  VAL  86          2HG2      VAL  86 -15.385  -2.656  -5.771
 1782   3HG2  VAL  86          3HG2      VAL  86 -14.788  -1.716  -4.404
 1783    H    VAL  87           H        VAL  87 -12.912  -4.367  -3.180
 1784    HA   VAL  87           HA       VAL  87 -12.087  -2.410  -1.149
 1785    HB   VAL  87           HB       VAL  87  -9.749  -3.429  -1.681
 1786   1HG1  VAL  87          1HG1      VAL  87 -11.967  -4.617  -0.079
 1787   2HG1  VAL  87          2HG1      VAL  87 -10.429  -5.475  -0.183
 1788   3HG1  VAL  87          3HG1      VAL  87 -10.481  -3.831   0.461
 1789   1HG2  VAL  87          1HG2      VAL  87 -11.167  -4.815  -3.561
 1790   2HG2  VAL  87          2HG2      VAL  87  -9.590  -5.286  -2.923
 1791   3HG2  VAL  87          3HG2      VAL  87 -11.062  -5.977  -2.239
 1792    H    PHE  88           H        PHE  88 -11.325  -0.514  -1.720
 1793    HA   PHE  88           HA       PHE  88 -10.791  -0.073  -4.575
 1794   1HB   PHE  88          2HB       PHE  88 -12.746   1.084  -3.334
 1795   2HB   PHE  88          3HB       PHE  88 -11.497   2.096  -2.616
 1796    HD1  PHE  88           HD1      PHE  88 -11.773   0.758  -6.087
 1797    HD2  PHE  88           HD2      PHE  88 -11.800   4.184  -3.555
 1798    HE1  PHE  88           HE1      PHE  88 -11.765   2.219  -8.057
 1799    HE2  PHE  88           HE2      PHE  88 -11.787   5.639  -5.524
 1800    HZ   PHE  88           HZ       PHE  88 -11.773   4.660  -7.778
 1801    H    CYS  89           H        CYS  89  -9.028   0.968  -5.263
 1802    HA   CYS  89           HA       CYS  89  -7.329   2.680  -4.015
 1803   1HB   CYS  89          2HB       CYS  89  -6.835   0.828  -2.396
 1804   2HB   CYS  89          3HB       CYS  89  -6.209  -0.125  -3.737
 1805    H    LYS  90           H        LYS  90  -6.755  -0.387  -5.700
 1806    HA   LYS  90           HA       LYS  90  -6.666   0.704  -8.267
 1807   1HB   LYS  90          2HB       LYS  90  -4.334   1.334  -6.985
 1808   2HB   LYS  90          3HB       LYS  90  -3.914  -0.210  -7.715
 1809   1HG   LYS  90          2HG       LYS  90  -3.397   0.982  -9.524
 1810   2HG   LYS  90          3HG       LYS  90  -5.138   1.094  -9.786
 1811   1HD   LYS  90          2HD       LYS  90  -5.246   3.261  -9.070
 1812   2HD   LYS  90          3HD       LYS  90  -3.879   3.082  -7.970
 1813   1HE   LYS  90          2HE       LYS  90  -2.729   4.226  -9.519
 1814   2HE   LYS  90          3HE       LYS  90  -2.704   2.704 -10.409
 1815   1HZ   LYS  90          HZ1       LYS  90  -4.869   4.713 -10.713
 1816   2HZ   LYS  90          HZ2       LYS  90  -3.481   4.697 -11.689
 1817   3HZ   LYS  90          HZ3       LYS  90  -4.538   3.375 -11.707
 1818    H    THR  91           H        THR  91  -5.017  -1.073  -9.548
 1819    HA   THR  91           HA       THR  91  -6.628  -3.397  -9.438
 1820    HB   THR  91           HB       THR  91  -4.403  -3.928 -11.064
 1821    HG1  THR  91           HG1      THR  91  -4.798  -1.675 -12.239
 1822   1HG2  THR  91          1HG2      THR  91  -6.835  -4.330 -11.511
 1823   2HG2  THR  91          2HG2      THR  91  -6.995  -2.613 -11.879
 1824   3HG2  THR  91          3HG2      THR  91  -5.954  -3.635 -12.871
 1825    H    ALA  92           H        ALA  92  -3.320  -2.690  -8.446
 1826    HA   ALA  92           HA       ALA  92  -2.535  -5.381  -8.283
 1827   1HB   ALA  92          1HB       ALA  92  -1.332  -2.782  -7.772
 1828   2HB   ALA  92          2HB       ALA  92  -0.683  -4.084  -6.776
 1829   3HB   ALA  92          3HB       ALA  92  -0.662  -4.225  -8.533
 1830    H    ALA  93           H        ALA  93  -1.047  -5.655  -6.089
 1831    HA   ALA  93           HA       ALA  93  -2.696  -7.056  -4.430
 1832   1HB   ALA  93          1HB       ALA  93   0.107  -6.070  -4.065
 1833   2HB   ALA  93          2HB       ALA  93  -0.690  -7.081  -2.860
 1834   3HB   ALA  93          3HB       ALA  93  -0.458  -7.683  -4.501
 1835    H    ARG  94           H        ARG  94  -1.846  -3.681  -4.104
 1836    HA   ARG  94           HA       ARG  94  -2.083  -3.220  -1.428
 1837   1HB   ARG  94          2HB       ARG  94  -1.695  -1.556  -3.375
 1838   2HB   ARG  94          3HB       ARG  94  -3.442  -1.364  -3.358
 1839   1HG   ARG  94          2HG       ARG  94  -3.313   0.052  -1.659
 1840   2HG   ARG  94          3HG       ARG  94  -2.428  -1.130  -0.690
 1841   1HD   ARG  94          2HD       ARG  94  -0.390  -0.278  -1.256
 1842   2HD   ARG  94          3HD       ARG  94  -0.943   0.289  -2.829
 1843    HE   ARG  94           HE       ARG  94  -1.634   1.657  -0.309
 1844   1HH1  ARG  94          1HH1      ARG  94  -0.742   1.727  -3.683
 1845   2HH1  ARG  94          2HH1      ARG  94  -0.529   3.447  -3.726
 1846   1HH2  ARG  94          1HH2      ARG  94  -1.323   3.953  -0.357
 1847   2HH2  ARG  94          2HH2      ARG  94  -0.790   4.695  -1.843
 1848    H    ALA  95           H        ALA  95  -4.819  -3.137  -3.710
 1849    HA   ALA  95           HA       ALA  95  -6.749  -3.081  -1.573
 1850   1HB   ALA  95          1HB       ALA  95  -7.052  -3.409  -4.554
 1851   2HB   ALA  95          2HB       ALA  95  -8.402  -3.315  -3.421
 1852   3HB   ALA  95          3HB       ALA  95  -7.308  -1.942  -3.605
 1853    H    ALA  96           H        ALA  96  -5.330  -5.462  -3.705
 1854    HA   ALA  96           HA       ALA  96  -7.143  -7.544  -3.383
 1855   1HB   ALA  96          1HB       ALA  96  -5.029  -7.218  -4.942
 1856   2HB   ALA  96          2HB       ALA  96  -4.268  -8.208  -3.693
 1857   3HB   ALA  96          3HB       ALA  96  -5.676  -8.817  -4.568
 1858    H    LEU  97           H        LEU  97  -4.488  -6.520  -1.335
 1859    HA   LEU  97           HA       LEU  97  -4.334  -8.908   0.188
 1860   1HB   LEU  97          2HB       LEU  97  -3.153  -6.260   0.285
 1861   2HB   LEU  97          3HB       LEU  97  -3.534  -6.858   1.893
 1862    HG   LEU  97           HG       LEU  97  -1.195  -7.337   1.006
 1863   1HD1  LEU  97          1HD1      LEU  97  -2.907  -8.777   2.662
 1864   2HD1  LEU  97          2HD1      LEU  97  -2.139  -9.985   1.632
 1865   3HD1  LEU  97          3HD1      LEU  97  -1.150  -8.886   2.593
 1866   1HD2  LEU  97          1HD2      LEU  97  -2.617  -8.357  -1.161
 1867   2HD2  LEU  97          2HD2      LEU  97  -0.891  -8.531  -0.848
 1868   3HD2  LEU  97          3HD2      LEU  97  -2.012  -9.779  -0.308
 1869    H    ALA  98           H        ALA  98  -6.189  -5.939   0.567
 1870    HA   ALA  98           HA       ALA  98  -7.290  -6.627   3.100
 1871   1HB   ALA  98          1HB       ALA  98  -7.924  -4.595   1.000
 1872   2HB   ALA  98          2HB       ALA  98  -9.070  -4.884   2.312
 1873   3HB   ALA  98          3HB       ALA  98  -7.424  -4.360   2.676
 1874    H    GLY  99           H        GLY  99  -8.404  -6.903  -0.244
 1875   1HA   GLY  99          1HA       GLY  99 -10.934  -8.006   0.397
 1876   2HA   GLY  99          2HA       GLY  99 -10.161  -8.043  -1.180
 1877    H    LYS 100           H        LYS 100  -7.962  -9.567  -0.795
 1878    HA   LYS 100           HA       LYS 100  -9.057 -12.103  -1.017
 1879   1HB   LYS 100          2HB       LYS 100  -6.951 -12.836  -1.576
 1880   2HB   LYS 100          3HB       LYS 100  -6.781 -11.105  -1.850
 1881   1HG   LYS 100          2HG       LYS 100  -5.092 -11.017  -0.429
 1882   2HG   LYS 100          3HG       LYS 100  -6.088 -11.696   0.860
 1883   1HD   LYS 100          2HD       LYS 100  -5.599 -13.946  -0.464
 1884   2HD   LYS 100          3HD       LYS 100  -4.180 -13.037  -0.988
 1885   1HE   LYS 100          2HE       LYS 100  -3.201 -13.194   1.021
 1886   2HE   LYS 100          3HE       LYS 100  -4.698 -12.830   1.877
 1887   1HZ   LYS 100          HZ1       LYS 100  -4.612 -15.441   0.646
 1888   2HZ   LYS 100          HZ2       LYS 100  -3.492 -15.225   1.893
 1889   3HZ   LYS 100          HZ3       LYS 100  -5.146 -14.994   2.186
 1890    H    THR 101           H        THR 101  -7.516 -10.598   1.772
 1891    HA   THR 101           HA       THR 101  -7.544 -12.982   3.342
 1892    HB   THR 101           HB       THR 101  -7.458 -10.217   4.510
 1893    HG1  THR 101           HG1      THR 101  -5.848  -9.920   3.119
 1894   1HG2  THR 101          1HG2      THR 101  -6.205 -12.870   5.221
 1895   2HG2  THR 101          2HG2      THR 101  -5.811 -11.348   6.019
 1896   3HG2  THR 101          3HG2      THR 101  -7.447 -11.994   6.121
 1897    H    LEU 102           H        LEU 102  -9.741 -10.272   2.886
 1898    HA   LEU 102           HA       LEU 102 -11.473 -10.818   5.034
 1899   1HB   LEU 102          2HB       LEU 102 -11.631  -9.269   2.516
 1900   2HB   LEU 102          3HB       LEU 102 -13.149  -9.699   3.279
 1901    HG   LEU 102           HG       LEU 102 -10.936  -8.265   4.735
 1902   1HD1  LEU 102          1HD1      LEU 102 -12.179  -7.166   2.633
 1903   2HD1  LEU 102          2HD1      LEU 102 -13.357  -6.800   3.894
 1904   3HD1  LEU 102          3HD1      LEU 102 -11.688  -6.247   4.056
 1905   1HD2  LEU 102          1HD2      LEU 102 -12.579  -9.463   6.117
 1906   2HD2  LEU 102          2HD2      LEU 102 -12.680  -7.714   6.321
 1907   3HD2  LEU 102          3HD2      LEU 102 -13.877  -8.558   5.336
 1908    H    ARG 103           H        ARG 103 -11.623 -11.850   1.613
 1909    HA   ARG 103           HA       ARG 103 -14.015 -13.346   1.915
 1910   1HB   ARG 103          2HB       ARG 103 -13.196 -14.536  -0.199
 1911   2HB   ARG 103          3HB       ARG 103 -13.482 -12.806  -0.305
 1912   1HG   ARG 103          2HG       ARG 103 -11.386 -12.417  -0.901
 1913   2HG   ARG 103          3HG       ARG 103 -10.754 -13.360   0.448
 1914   1HD   ARG 103          2HD       ARG 103 -10.080 -14.195  -1.804
 1915   2HD   ARG 103          3HD       ARG 103 -10.910 -15.386  -0.803
 1916    HE   ARG 103           HE       ARG 103 -12.245 -13.883  -2.964
 1917   1HH1  ARG 103          1HH1      ARG 103 -11.538 -16.868  -1.289
 1918   2HH1  ARG 103          2HH1      ARG 103 -12.717 -17.794  -2.165
 1919   1HH2  ARG 103          1HH2      ARG 103 -13.786 -15.101  -4.150
 1920   2HH2  ARG 103          2HH2      ARG 103 -13.977 -16.797  -3.808
 1921    H    GLU 104           H        GLU 104 -10.706 -14.005   2.634
 1922    HA   GLU 104           HA       GLU 104 -10.875 -16.838   2.795
 1923   1HB   GLU 104          2HB       GLU 104  -8.905 -14.760   3.457
 1924   2HB   GLU 104          3HB       GLU 104  -8.829 -16.189   4.479
 1925   1HG   GLU 104          2HG       GLU 104  -8.514 -17.608   2.583
 1926   2HG   GLU 104          3HG       GLU 104  -8.802 -16.269   1.475
 1927    H    TYR 105           H        TYR 105 -12.302 -14.480   4.671
 1928    HA   TYR 105           HA       TYR 105 -12.267 -16.176   7.069
 1929   1HB   TYR 105          HB2       TYR 105 -13.066 -13.277   6.746
 1930   2HB   TYR 105          HB3       TYR 105 -13.208 -14.188   8.249
 1931    HD1  TYR 105           HD1      TYR 105 -10.729 -15.772   8.181
 1932    HD2  TYR 105           HD2      TYR 105 -11.404 -11.685   7.217
 1933    HE1  TYR 105           HE1      TYR 105  -8.379 -15.274   8.684
 1934    HE2  TYR 105           HE2      TYR 105  -9.049 -11.176   7.721
 1935    HH   TYR 105           HH       TYR 105  -6.713 -13.562   8.013
 1936    H    GLY 106           H        GLY 106 -14.099 -15.529   4.365
 1937   1HA   GLY 106          1HA       GLY 106 -16.008 -16.945   4.005
 1938   2HA   GLY 106          2HA       GLY 106 -16.420 -16.754   5.702
 1939    H    PHE 107           H        PHE 107 -15.573 -14.257   3.353
 1940    HA   PHE 107           HA       PHE 107 -18.048 -12.871   3.969
 1941   1HB   PHE 107          2HB       PHE 107 -15.439 -12.136   2.808
 1942   2HB   PHE 107          3HB       PHE 107 -16.824 -11.339   2.063
 1943    HD1  PHE 107           HD1      PHE 107 -15.293 -12.048   5.376
 1944    HD2  PHE 107           HD2      PHE 107 -17.745  -9.459   3.054
 1945    HE1  PHE 107           HE1      PHE 107 -15.370 -10.453   7.247
 1946    HE2  PHE 107           HE2      PHE 107 -17.823  -7.856   4.918
 1947    HZ   PHE 107           HZ       PHE 107 -16.635  -8.353   7.018
 1948    H    LYS 108           H        LYS 108 -19.581 -12.306   2.408
 1949    HA   LYS 108           HA       LYS 108 -20.279 -14.362   0.663
 1950   1HB   LYS 108          2HB       LYS 108 -21.309 -11.669   1.302
 1951   2HB   LYS 108          3HB       LYS 108 -21.780 -12.304  -0.269
 1952   1HG   LYS 108          2HG       LYS 108 -22.172 -14.403   1.530
 1953   2HG   LYS 108          3HG       LYS 108 -22.774 -12.958   2.342
 1954   1HD   LYS 108          2HD       LYS 108 -23.597 -12.955  -0.407
 1955   2HD   LYS 108          3HD       LYS 108 -24.056 -14.477   0.358
 1956   1HE   LYS 108          2HE       LYS 108 -24.567 -11.937   1.819
 1957   2HE   LYS 108          3HE       LYS 108 -25.616 -12.350   0.464
 1958   1HZ   LYS 108          HZ1       LYS 108 -25.846 -14.594   1.627
 1959   2HZ   LYS 108          HZ2       LYS 108 -25.206 -13.827   2.994
 1960   3HZ   LYS 108          HZ3       LYS 108 -26.655 -13.273   2.311
 1961    H    THR 109           H        THR 109 -20.165 -11.115  -0.656
 1962    HA   THR 109           HA       THR 109 -18.600 -12.171  -2.912
 1963    HB   THR 109           HB       THR 109 -20.262  -9.777  -3.370
 1964    HG1  THR 109           HG1      THR 109 -21.345 -12.302  -2.662
 1965   1HG2  THR 109          1HG2      THR 109 -19.814 -12.374  -4.844
 1966   2HG2  THR 109          2HG2      THR 109 -20.800 -11.041  -5.443
 1967   3HG2  THR 109          3HG2      THR 109 -19.067 -10.816  -5.197
 1968    H    ILE 110           H        ILE 110 -16.648 -11.329  -3.101
 1969    HA   ILE 110           HA       ILE 110 -16.194  -8.617  -2.040
 1970    HB   ILE 110           HB       ILE 110 -15.158 -10.499  -0.744
 1971   1HG1  ILE 110          2HG1      ILE 110 -12.769  -9.080  -1.584
 1972   2HG1  ILE 110          3HG1      ILE 110 -14.148  -7.998  -1.393
 1973   1HG2  ILE 110          1HG2      ILE 110 -13.762 -10.927  -3.339
 1974   2HG2  ILE 110          2HG2      ILE 110 -12.909 -11.260  -1.832
 1975   3HG2  ILE 110          3HG2      ILE 110 -14.415 -12.103  -2.198
 1976   1HD1  ILE 110          1HD1      ILE 110 -13.767  -9.963   0.759
 1977   2HD1  ILE 110          2HD1      ILE 110 -12.516  -8.726   0.612
 1978   3HD1  ILE 110          3HD1      ILE 110 -14.200  -8.254   0.836
 1979    H    TYR 111           H        TYR 111 -15.481  -7.129  -3.414
 1980    HA   TYR 111           HA       TYR 111 -14.635  -8.034  -6.082
 1981   1HB   TYR 111          HB2       TYR 111 -15.711  -5.291  -5.452
 1982   2HB   TYR 111          HB3       TYR 111 -15.651  -6.110  -7.005
 1983    HD1  TYR 111           HD1      TYR 111 -17.342  -6.129  -3.701
 1984    HD2  TYR 111           HD2      TYR 111 -17.496  -7.359  -7.769
 1985    HE1  TYR 111           HE1      TYR 111 -19.668  -6.853  -3.384
 1986    HE2  TYR 111           HE2      TYR 111 -19.825  -8.086  -7.465
 1987    HH   TYR 111           HH       TYR 111 -21.459  -8.477  -5.983
 1988    H    ASN 112           H        ASN 112 -12.853  -7.168  -7.057
 1989    HA   ASN 112           HA       ASN 112 -11.225  -5.280  -5.470
 1990   1HB   ASN 112          2HB       ASN 112 -10.491  -7.774  -6.764
 1991   2HB   ASN 112          3HB       ASN 112  -9.571  -6.434  -7.435
 1992   1HD2  ASN 112          1HD2      ASN 112  -7.954  -5.533  -6.246
 1993   2HD2  ASN 112          2HD2      ASN 112  -7.507  -6.076  -4.667
 1994    H    SER 113           H        SER 113 -10.554  -3.425  -6.508
 1995    HA   SER 113           HA       SER 113 -12.134  -2.741  -8.786
 1996   1HB   SER 113          2HB       SER 113 -11.257  -1.324  -6.665
 1997   2HB   SER 113          3HB       SER 113 -10.075  -0.827  -7.875
 1998    HG   SER 113           HG       SER 113 -12.899  -0.629  -8.028
 1999    H    GLU 114           H        GLU 114 -11.622  -2.968 -10.801
 2000    HA   GLU 114           HA       GLU 114  -8.888  -3.456 -11.645
 2001   1HB   GLU 114          2HB       GLU 114 -11.562  -3.610 -12.943
 2002   2HB   GLU 114          3HB       GLU 114 -10.168  -3.350 -13.985
 2003   1HG   GLU 114          2HG       GLU 114  -9.944  -5.512 -11.988
 2004   2HG   GLU 114          3HG       GLU 114 -11.076  -5.768 -13.313
 2005    H    GLY 115           H        GLY 115 -10.355  -0.760 -10.808
 2006   1HA   GLY 115          1HA       GLY 115  -9.151   0.846 -12.967
 2007   2HA   GLY 115          2HA       GLY 115 -10.434   1.412 -11.906
 2008    H    GLY 116           H        GLY 116  -9.932   2.297  -9.975
 2009   1HA   GLY 116          1HA       GLY 116  -7.846   2.063  -8.304
 2010   2HA   GLY 116          2HA       GLY 116  -7.161   3.046  -9.594
 2011    H    MET 117           H        MET 117  -7.290   4.063  -7.059
 2012    HA   MET 117           HA       MET 117  -9.622   5.450  -6.376
 2013   1HB   MET 117          2HB       MET 117  -7.680   5.121  -4.868
 2014   2HB   MET 117          3HB       MET 117  -6.770   6.284  -5.820
 2015   1HG   MET 117          2HG       MET 117  -9.021   7.698  -5.211
 2016   2HG   MET 117          3HG       MET 117  -8.799   6.715  -3.764
 2017   1HE   MET 117          1HE       MET 117  -7.827   9.518  -5.920
 2018   2HE   MET 117          2HE       MET 117  -8.283  10.258  -4.385
 2019   3HE   MET 117          3HE       MET 117  -6.635  10.426  -4.989
 2020    H    ASP 118           H        ASP 118  -6.934   6.364  -8.456
 2021    HA   ASP 118           HA       ASP 118  -7.783   9.027  -8.919
 2022   1HB   ASP 118          2HB       ASP 118  -6.190   8.938 -10.833
 2023   2HB   ASP 118          3HB       ASP 118  -5.476   8.429  -9.308
 2024    H    LYS 119           H        LYS 119  -8.734   5.958 -10.182
 2025    HA   LYS 119           HA       LYS 119  -9.919   6.928 -12.595
 2026   1HB   LYS 119          2HB       LYS 119  -9.617   4.376 -11.217
 2027   2HB   LYS 119          3HB       LYS 119 -11.207   4.560 -11.949
 2028   1HG   LYS 119          2HG       LYS 119  -9.222   3.514 -13.289
 2029   2HG   LYS 119          3HG       LYS 119 -10.379   4.584 -14.079
 2030   1HD   LYS 119          2HD       LYS 119  -8.846   6.460 -13.831
 2031   2HD   LYS 119          3HD       LYS 119  -7.698   5.431 -12.967
 2032   1HE   LYS 119          2HE       LYS 119  -6.913   4.530 -14.867
 2033   2HE   LYS 119          3HE       LYS 119  -8.524   4.363 -15.563
 2034   1HZ   LYS 119          HZ1       LYS 119  -8.315   6.942 -15.803
 2035   2HZ   LYS 119          HZ2       LYS 119  -6.650   6.616 -15.735
 2036   3HZ   LYS 119          HZ3       LYS 119  -7.607   5.910 -16.945
 2037    H    TRP 120           H        TRP 120 -10.929   6.475  -9.291
 2038    HA   TRP 120           HA       TRP 120 -13.714   6.667  -9.605
 2039   1HB   TRP 120          HB2       TRP 120 -12.324   6.100  -7.499
 2040   2HB   TRP 120          HB3       TRP 120 -12.208   7.840  -7.270
 2041    HD1  TRP 120           HD1      TRP 120 -14.367   9.119  -6.481
 2042    HE1  TRP 120           HE1      TRP 120 -16.606   8.348  -5.482
 2043    HE3  TRP 120           HE3      TRP 120 -14.050   4.132  -7.553
 2044    HZ2  TRP 120           HZ2      TRP 120 -18.034   5.938  -5.159
 2045    HZ3  TRP 120           HZ3      TRP 120 -15.894   2.658  -6.849
 2046    HH2  TRP 120           HH2      TRP 120 -17.841   3.545  -5.677
 2047    H    LEU 121           H        LEU 121 -11.273   9.191  -8.948
 2048    HA   LEU 121           HA       LEU 121 -13.066  11.370  -9.142
 2049   1HB   LEU 121          2HB       LEU 121 -10.105  11.007  -9.141
 2050   2HB   LEU 121          3HB       LEU 121 -10.750  12.544  -9.677
 2051    HG   LEU 121           HG       LEU 121 -11.509  11.376  -7.009
 2052   1HD1  LEU 121          1HD1      LEU 121  -9.068  12.950  -7.758
 2053   2HD1  LEU 121          2HD1      LEU 121  -9.735  12.967  -6.124
 2054   3HD1  LEU 121          3HD1      LEU 121  -9.173  11.452  -6.832
 2055   1HD2  LEU 121          1HD2      LEU 121 -11.826  13.959  -8.432
 2056   2HD2  LEU 121          2HD2      LEU 121 -12.924  13.129  -7.329
 2057   3HD2  LEU 121          3HD2      LEU 121 -11.540  14.017  -6.693
 2058    H    GLU 122           H        GLU 122 -10.937   9.755 -11.452
 2059    HA   GLU 122           HA       GLU 122 -11.127  11.610 -13.544
 2060   1HB   GLU 122          2HB       GLU 122  -9.882   9.132 -13.088
 2061   2HB   GLU 122          3HB       GLU 122 -10.858   8.917 -14.535
 2062   1HG   GLU 122          2HG       GLU 122  -9.686  11.291 -15.070
 2063   2HG   GLU 122          3HG       GLU 122  -8.431  10.507 -14.110
 2064    H    GLU 123           H        GLU 123 -12.992   8.681 -12.908
 2065    HA   GLU 123           HA       GLU 123 -14.619   9.097 -15.261
 2066   1HB   GLU 123          2HB       GLU 123 -14.113   6.908 -13.450
 2067   2HB   GLU 123          3HB       GLU 123 -15.842   7.104 -13.723
 2068   1HG   GLU 123          2HG       GLU 123 -15.674   6.148 -15.705
 2069   2HG   GLU 123          3HG       GLU 123 -14.499   7.355 -16.217
 2070    H    GLY 124           H        GLY 124 -14.626  10.935 -12.830
 2071   1HA   GLY 124          1HA       GLY 124 -16.141  12.451 -12.030
 2072   2HA   GLY 124          2HA       GLY 124 -17.230  11.845 -13.263
 2073    H    LEU 125           H        LEU 125 -16.076   9.643 -10.841
 2074    HA   LEU 125           HA       LEU 125 -18.758   9.204  -9.913
 2075   1HB   LEU 125          2HB       LEU 125 -16.118   8.112  -8.937
 2076   2HB   LEU 125          3HB       LEU 125 -17.689   7.568  -8.382
 2077    HG   LEU 125           HG       LEU 125 -16.848   7.409 -11.269
 2078   1HD1  LEU 125          1HD1      LEU 125 -16.003   5.813  -9.003
 2079   2HD1  LEU 125          2HD1      LEU 125 -16.790   4.854 -10.260
 2080   3HD1  LEU 125          3HD1      LEU 125 -15.392   5.852 -10.659
 2081   1HD2  LEU 125          1HD2      LEU 125 -19.085   6.239  -9.636
 2082   2HD2  LEU 125          2HD2      LEU 125 -19.187   7.228 -11.094
 2083   3HD2  LEU 125          3HD2      LEU 125 -18.604   5.565 -11.195
 2084    HA   PRO 126           HA       PRO 126 -19.080  11.984  -6.533
 2085   1HB   PRO 126          2HB       PRO 126 -20.022  10.334  -4.534
 2086   2HB   PRO 126          3HB       PRO 126 -21.026  11.021  -5.817
 2087   1HG   PRO 126          2HG       PRO 126 -19.734   8.315  -5.664
 2088   2HG   PRO 126          3HG       PRO 126 -21.390   8.737  -6.159
 2089   1HD   PRO 126          2HD       PRO 126 -19.552   8.209  -7.993
 2090   2HD   PRO 126          3HD       PRO 126 -20.675   9.568  -8.235
 2091    H    SER 127           H        SER 127 -17.268  12.757  -5.615
 2092    HA   SER 127           HA       SER 127 -15.853  11.016  -3.718
 2093   1HB   SER 127          2HB       SER 127 -13.921  12.728  -4.813
 2094   2HB   SER 127          3HB       SER 127 -14.076  10.992  -5.099
 2095    HG   SER 127           HG       SER 127 -15.615  11.619  -6.806
 2096    H    LEU 128           H        LEU 128 -14.842  12.117  -1.998
 2097    HA   LEU 128           HA       LEU 128 -16.063  14.656  -1.318
 2098   1HB   LEU 128          2HB       LEU 128 -14.537  12.540   0.095
 2099   2HB   LEU 128          3HB       LEU 128 -14.335  14.173   0.696
 2100    HG   LEU 128           HG       LEU 128 -17.095  13.115   0.294
 2101   1HD1  LEU 128          1HD1      LEU 128 -15.117  11.975   2.070
 2102   2HD1  LEU 128          2HD1      LEU 128 -16.492  12.636   2.958
 2103   3HD1  LEU 128          3HD1      LEU 128 -16.754  11.426   1.699
 2104   1HD2  LEU 128          1HD2      LEU 128 -16.182  15.513   1.086
 2105   2HD2  LEU 128          2HD2      LEU 128 -17.712  14.828   1.634
 2106   3HD2  LEU 128          3HD2      LEU 128 -16.274  14.698   2.647
 2107    H    ASP 129           H        ASP 129 -15.176  16.255  -2.458
 2108    HA   ASP 129           HA       ASP 129 -12.255  16.606  -2.302
 2109   1HB   ASP 129          2HB       ASP 129 -12.571  16.307  -4.597
 2110   2HB   ASP 129          3HB       ASP 129 -14.168  17.044  -4.575
 2111    H    ARG 130           H        ARG 130 -11.695  18.343  -1.152
 2112    HA   ARG 130           HA       ARG 130 -13.800  20.069  -0.220
 2113   1HB   ARG 130          2HB       ARG 130 -11.660  19.050   1.034
 2114   2HB   ARG 130          3HB       ARG 130 -10.991  20.606   0.558
 2115   1HG   ARG 130          2HG       ARG 130 -13.154  21.580   1.593
 2116   2HG   ARG 130          3HG       ARG 130 -13.271  20.012   2.394
 2117   1HD   ARG 130          2HD       ARG 130 -11.428  20.379   3.688
 2118   2HD   ARG 130          3HD       ARG 130 -10.661  21.424   2.494
 2119    HE   ARG 130           HE       ARG 130 -12.966  22.317   4.110
 2120   1HH1  ARG 130          1HH1      ARG 130  -9.773  22.858   2.748
 2121   2HH1  ARG 130          2HH1      ARG 130  -9.586  24.414   3.502
 2122   1HH2  ARG 130          1HH2      ARG 130 -12.722  24.384   5.064
 2123   2HH2  ARG 130          2HH2      ARG 130 -11.254  25.280   4.795
 2124    H    SER 131           H        SER 131 -14.249  21.088  -2.237
 2125    HA   SER 131           HA       SER 131 -12.349  22.854  -3.459
 2126   1HB   SER 131          2HB       SER 131 -15.190  23.462  -3.870
 2127   2HB   SER 131          3HB       SER 131 -13.945  23.063  -5.051
 2128    HG   SER 131           HG       SER 131 -14.212  20.839  -4.409
 2129    H    HIS 132           H        HIS 132 -13.075  25.306  -3.614
 2130    HA   HIS 132           HA       HIS 132 -13.065  26.232  -0.886
 2131   1HB   HIS 132          2HB       HIS 132 -11.877  27.202  -3.101
 2132   2HB   HIS 132          3HB       HIS 132 -13.306  28.232  -3.056
 2133    HD1  HIS 132           HD1      HIS 132 -11.493  30.173  -2.558
 2134    HD2  HIS 132           HD2      HIS 132 -12.051  27.343   0.444
 2135    HE1  HIS 132           HE1      HIS 132 -10.521  31.191  -0.468
 2136    HE2  HIS 132           HE2      HIS 132 -10.980  29.511   1.359
 2137    H    HIS 133           H        HIS 133 -15.321  25.028  -1.002
 2138    HA   HIS 133           HA       HIS 133 -17.453  26.989  -1.472
 2139   1HB   HIS 133          2HB       HIS 133 -17.772  24.635  -2.250
 2140   2HB   HIS 133          3HB       HIS 133 -17.633  24.095  -0.583
 2141    HD1  HIS 133           HD1      HIS 133 -19.945  25.878  -2.931
 2142    HD2  HIS 133           HD2      HIS 133 -19.914  24.430   0.968
 2143    HE1  HIS 133           HE1      HIS 133 -22.335  25.982  -2.146
 2144    HE2  HIS 133           HE2      HIS 133 -22.314  24.959   0.158
 2145    H    HIS 134           H        HIS 134 -18.194  28.174   0.204
 2146    HA   HIS 134           HA       HIS 134 -16.969  28.045   2.743
 2147   1HB   HIS 134          2HB       HIS 134 -18.944  29.713   1.449
 2148   2HB   HIS 134          3HB       HIS 134 -19.422  29.366   3.107
 2149    HD1  HIS 134           HD1      HIS 134 -17.818  30.224   5.007
 2150    HD2  HIS 134           HD2      HIS 134 -16.790  31.414   1.156
 2151    HE1  HIS 134           HE1      HIS 134 -16.156  32.088   5.293
 2152    HE2  HIS 134           HE2      HIS 134 -15.670  32.899   2.957
 2153    H    HIS 135           H        HIS 135 -17.132  26.258   3.902
 2154    HA   HIS 135           HA       HIS 135 -19.807  25.293   4.646
 2155   1HB   HIS 135          2HB       HIS 135 -18.982  23.983   2.696
 2156   2HB   HIS 135          3HB       HIS 135 -17.565  23.525   3.632
 2157    HD1  HIS 135           HD1      HIS 135 -21.332  23.097   3.672
 2158    HD2  HIS 135           HD2      HIS 135 -17.890  21.284   5.151
 2159    HE1  HIS 135           HE1      HIS 135 -22.092  20.939   4.727
 2160    HE2  HIS 135           HE2      HIS 135 -19.973  19.772   5.434
 2161    H    HIS 136           H        HIS 136 -19.826  25.483   6.779
 2162    HA   HIS 136           HA       HIS 136 -17.527  25.480   8.427
 2163   1HB   HIS 136          2HB       HIS 136 -19.388  26.663   9.257
 2164   2HB   HIS 136          3HB       HIS 136 -20.485  25.322   8.964
 2165    HD1  HIS 136           HD1      HIS 136 -21.265  24.369  11.087
 2166    HD2  HIS 136           HD2      HIS 136 -17.317  25.661  11.347
 2167    HE1  HIS 136           HE1      HIS 136 -20.526  23.829  13.432
 2168    HE2  HIS 136           HE2      HIS 136 -18.209  24.809  13.621
 2169    H    HIS 137           H        HIS 137 -16.308  23.803   8.871
 2170    HA   HIS 137           HA       HIS 137 -17.583  21.269   9.587
 2171   1HB   HIS 137          2HB       HIS 137 -16.653  21.292   7.158
 2172   2HB   HIS 137          3HB       HIS 137 -15.072  21.260   7.931
 2173    HD1  HIS 137           HD1      HIS 137 -14.243  19.048   8.807
 2174    HD2  HIS 137           HD2      HIS 137 -18.239  18.936   7.649
 2175    HE1  HIS 137           HE1      HIS 137 -14.897  16.617   8.850
 2176    HE2  HIS 137           HE2      HIS 137 -17.253  16.558   7.946
  Start of MODEL   10
    1   1H    ALA   1           H1       ALA   1 -23.037 -11.819  11.688
    2   2H    ALA   1           H2       ALA   1 -23.732 -11.701  13.231
    3   3H    ALA   1           H3       ALA   1 -24.680 -11.435  11.853
    4    HA   ALA   1           HA       ALA   1 -23.160  -9.540  11.305
    5   1HB   ALA   1          1HB       ALA   1 -24.996  -9.505  13.682
    6   2HB   ALA   1          2HB       ALA   1 -24.250  -8.041  13.038
    7   3HB   ALA   1          3HB       ALA   1 -25.330  -9.000  12.025
    8    H    ASP   2           H        ASP   2 -22.967 -10.707  14.671
    9    HA   ASP   2           HA       ASP   2 -20.752  -8.955  15.238
   10   1HB   ASP   2          2HB       ASP   2 -22.639 -10.403  16.771
   11   2HB   ASP   2          3HB       ASP   2 -21.020 -10.901  17.236
   12    H    MET   3           H        MET   3 -19.583  -9.973  13.356
   13    HA   MET   3           HA       MET   3 -18.040 -12.293  14.311
   14   1HB   MET   3          2HB       MET   3 -19.261 -11.717  11.759
   15   2HB   MET   3          3HB       MET   3 -17.526 -11.930  11.574
   16   1HG   MET   3          2HG       MET   3 -18.673 -14.023  11.246
   17   2HG   MET   3          3HG       MET   3 -17.675 -14.095  12.696
   18   1HE   MET   3          1HE       MET   3 -19.531 -16.126  11.970
   19   2HE   MET   3          2HE       MET   3 -20.851 -16.374  13.116
   20   3HE   MET   3          3HE       MET   3 -21.139 -15.493  11.614
   21    H    GLY   4           H        GLY   4 -17.855  -9.148  14.428
   22   1HA   GLY   4          1HA       GLY   4 -15.545  -8.377  13.038
   23   2HA   GLY   4          2HA       GLY   4 -16.189  -7.577  14.465
   24    H    GLU   5           H        GLU   5 -15.948  -9.714  16.244
   25    HA   GLU   5           HA       GLU   5 -13.231  -9.471  17.054
   26   1HB   GLU   5          2HB       GLU   5 -15.292 -11.482  17.979
   27   2HB   GLU   5          3HB       GLU   5 -13.805 -11.058  18.816
   28   1HG   GLU   5          2HG       GLU   5 -15.062  -9.625  19.968
   29   2HG   GLU   5          3HG       GLU   5 -15.021  -8.625  18.518
   30    H    LYS   6           H        LYS   6 -15.039 -11.796  15.244
   31    HA   LYS   6           HA       LYS   6 -13.258 -13.956  15.352
   32   1HB   LYS   6          2HB       LYS   6 -15.151 -13.341  13.086
   33   2HB   LYS   6          3HB       LYS   6 -14.506 -14.914  13.535
   34   1HG   LYS   6          2HG       LYS   6 -15.924 -13.581  15.707
   35   2HG   LYS   6          3HG       LYS   6 -16.930 -13.904  14.292
   36   1HD   LYS   6          2HD       LYS   6 -15.869 -16.269  14.397
   37   2HD   LYS   6          3HD       LYS   6 -15.473 -15.827  16.060
   38   1HE   LYS   6          2HE       LYS   6 -17.869 -15.294  16.428
   39   2HE   LYS   6          3HE       LYS   6 -18.212 -15.895  14.806
   40   1HZ   LYS   6          HZ1       LYS   6 -17.040 -18.013  15.643
   41   2HZ   LYS   6          HZ2       LYS   6 -17.351 -17.392  17.192
   42   3HZ   LYS   6          HZ3       LYS   6 -18.635 -17.712  16.131
   43    H    PHE   7           H        PHE   7 -13.702 -11.636  12.625
   44    HA   PHE   7           HA       PHE   7 -11.398 -12.786  11.376
   45   1HB   PHE   7          2HB       PHE   7 -11.743 -10.925   9.656
   46   2HB   PHE   7          3HB       PHE   7 -12.981 -12.156   9.807
   47    HD1  PHE   7           HD1      PHE   7 -12.191  -8.777  11.202
   48    HD2  PHE   7           HD2      PHE   7 -15.148 -11.469   9.745
   49    HE1  PHE   7           HE1      PHE   7 -13.890  -7.009  11.388
   50    HE2  PHE   7           HE2      PHE   7 -16.849  -9.701   9.920
   51    HZ   PHE   7           HZ       PHE   7 -16.221  -7.466  10.741
   52    H    ASP   8           H        ASP   8 -11.921 -10.028  13.389
   53    HA   ASP   8           HA       ASP   8  -9.790  -8.383  12.732
   54   1HB   ASP   8          2HB       ASP   8 -11.527  -7.832  14.415
   55   2HB   ASP   8          3HB       ASP   8 -10.797  -8.986  15.524
   56    H    ALA   9           H        ALA   9  -9.785 -11.062  15.078
   57    HA   ALA   9           HA       ALA   9  -7.061 -10.872  15.751
   58   1HB   ALA   9          1HB       ALA   9  -9.270 -12.708  16.252
   59   2HB   ALA   9          2HB       ALA   9  -7.699 -13.505  16.180
   60   3HB   ALA   9          3HB       ALA   9  -7.966 -12.183  17.317
   61    H    THR  10           H        THR  10  -8.764 -12.851  13.366
   62    HA   THR  10           HA       THR  10  -6.532 -14.393  12.644
   63    HB   THR  10           HB       THR  10  -8.764 -13.928  10.711
   64    HG1  THR  10           HG1      THR  10 -10.124 -14.373  12.293
   65   1HG2  THR  10          1HG2      THR  10  -6.879 -16.112  11.458
   66   2HG2  THR  10          2HG2      THR  10  -8.478 -16.567  10.866
   67   3HG2  THR  10          3HG2      THR  10  -7.415 -15.580   9.862
   68    H    PHE  11           H        PHE  11  -7.869 -11.416  11.209
   69    HA   PHE  11           HA       PHE  11  -6.311 -11.371   8.904
   70   1HB   PHE  11          2HB       PHE  11  -8.212  -9.735   9.877
   71   2HB   PHE  11          3HB       PHE  11  -6.791  -8.766  10.255
   72    HD1  PHE  11           HD1      PHE  11  -5.012  -8.980   8.095
   73    HD2  PHE  11           HD2      PHE  11  -9.268  -8.989   7.980
   74    HE1  PHE  11           HE1      PHE  11  -4.945  -8.154   5.781
   75    HE2  PHE  11           HE2      PHE  11  -9.207  -8.162   5.661
   76    HZ   PHE  11           HZ       PHE  11  -7.039  -7.744   4.559
   77    H    LYS  12           H        LYS  12  -5.632 -10.069  12.100
   78    HA   LYS  12           HA       LYS  12  -3.031  -9.072  11.545
   79   1HB   LYS  12          2HB       LYS  12  -4.558  -8.530  13.528
   80   2HB   LYS  12          3HB       LYS  12  -3.989 -10.037  14.231
   81   1HG   LYS  12          2HG       LYS  12  -2.542  -8.554  15.189
   82   2HG   LYS  12          3HG       LYS  12  -1.627  -9.002  13.749
   83   1HD   LYS  12          2HD       LYS  12  -2.654  -6.996  12.615
   84   2HD   LYS  12          3HD       LYS  12  -3.260  -6.513  14.201
   85   1HE   LYS  12          2HE       LYS  12  -1.302  -5.569  14.658
   86   2HE   LYS  12          3HE       LYS  12  -0.511  -7.136  14.487
   87   1HZ   LYS  12          HZ1       LYS  12  -0.962  -6.239  11.913
   88   2HZ   LYS  12          HZ2       LYS  12  -0.404  -4.881  12.767
   89   3HZ   LYS  12          HZ3       LYS  12   0.524  -6.297  12.733
   90    H    ALA  13           H        ALA  13  -4.294 -12.214  12.186
   91    HA   ALA  13           HA       ALA  13  -1.824 -13.429  13.000
   92   1HB   ALA  13          1HB       ALA  13  -4.432 -14.625  12.064
   93   2HB   ALA  13          2HB       ALA  13  -3.057 -15.559  12.661
   94   3HB   ALA  13          3HB       ALA  13  -3.884 -14.427  13.731
   95    H    GLN  14           H        GLN  14  -3.707 -13.275   9.994
   96    HA   GLN  14           HA       GLN  14  -1.925 -14.949   8.537
   97   1HB   GLN  14          2HB       GLN  14  -4.152 -13.090   7.734
   98   2HB   GLN  14          3HB       GLN  14  -3.172 -13.917   6.530
   99   1HG   GLN  14          2HG       GLN  14  -3.797 -16.072   7.551
  100   2HG   GLN  14          3HG       GLN  14  -4.840 -15.209   8.672
  101   1HE2  GLN  14          1HE2      GLN  14  -4.265 -15.566   5.182
  102   2HE2  GLN  14          2HE2      GLN  14  -5.935 -15.498   4.732
  103    H    VAL  15           H        VAL  15  -2.458 -11.432   8.508
  104    HA   VAL  15           HA       VAL  15  -0.466 -10.770   6.679
  105    HB   VAL  15           HB       VAL  15  -1.863  -9.263   8.835
  106   1HG1  VAL  15          1HG1      VAL  15   0.590  -8.237   7.413
  107   2HG1  VAL  15          2HG1      VAL  15  -0.576  -7.208   8.243
  108   3HG1  VAL  15          3HG1      VAL  15   0.350  -8.402   9.153
  109   1HG2  VAL  15          1HG2      VAL  15  -1.554  -9.015   5.851
  110   2HG2  VAL  15          2HG2      VAL  15  -3.007  -9.392   6.775
  111   3HG2  VAL  15          3HG2      VAL  15  -2.323  -7.768   6.832
  112    H    LYS  16           H        LYS  16  -0.222 -11.462  10.097
  113    HA   LYS  16           HA       LYS  16   2.354 -10.539  10.650
  114   1HB   LYS  16          2HB       LYS  16   1.105 -11.234  12.500
  115   2HB   LYS  16          3HB       LYS  16   0.661 -12.759  11.747
  116   1HG   LYS  16          2HG       LYS  16   2.529 -13.801  12.441
  117   2HG   LYS  16          3HG       LYS  16   3.536 -12.366  12.238
  118   1HD   LYS  16          2HD       LYS  16   1.560 -12.053  14.344
  119   2HD   LYS  16          3HD       LYS  16   2.648 -13.414  14.632
  120   1HE   LYS  16          2HE       LYS  16   4.111 -11.129  13.673
  121   2HE   LYS  16          3HE       LYS  16   3.155 -10.703  15.094
  122   1HZ   LYS  16          HZ1       LYS  16   4.916 -13.082  14.991
  123   2HZ   LYS  16          HZ2       LYS  16   5.442 -11.568  15.547
  124   3HZ   LYS  16          HZ3       LYS  16   4.189 -12.381  16.357
  125    H    ALA  17           H        ALA  17   1.267 -13.516   9.115
  126    HA   ALA  17           HA       ALA  17   3.727 -14.891   9.118
  127   1HB   ALA  17          1HB       ALA  17   1.109 -15.292   8.079
  128   2HB   ALA  17          2HB       ALA  17   2.280 -15.632   6.806
  129   3HB   ALA  17          3HB       ALA  17   2.385 -16.479   8.350
  130    H    ALA  18           H        ALA  18   2.518 -12.323   7.135
  131    HA   ALA  18           HA       ALA  18   4.321 -12.684   4.949
  132   1HB   ALA  18          1HB       ALA  18   2.123 -11.395   4.932
  133   2HB   ALA  18          2HB       ALA  18   3.020 -10.084   5.697
  134   3HB   ALA  18          3HB       ALA  18   3.493 -10.660   4.099
  135    H    LYS  19           H        LYS  19   4.462 -11.030   8.038
  136    HA   LYS  19           HA       LYS  19   6.931  -9.644   7.465
  137   1HB   LYS  19          2HB       LYS  19   5.637 -10.207  10.138
  138   2HB   LYS  19          3HB       LYS  19   6.896  -9.026   9.808
  139   1HG   LYS  19          2HG       LYS  19   5.061  -8.118   8.116
  140   2HG   LYS  19          3HG       LYS  19   3.985  -8.905   9.273
  141   1HD   LYS  19          2HD       LYS  19   6.089  -6.846   9.950
  142   2HD   LYS  19          3HD       LYS  19   4.357  -6.534   9.819
  143   1HE   LYS  19          2HE       LYS  19   3.972  -8.176  11.632
  144   2HE   LYS  19          3HE       LYS  19   5.717  -8.360  11.798
  145   1HZ   LYS  19          HZ1       LYS  19   5.800  -5.915  12.242
  146   2HZ   LYS  19          HZ2       LYS  19   4.103  -5.931  12.325
  147   3HZ   LYS  19          HZ3       LYS  19   5.012  -6.830  13.434
  148    H    ALA  20           H        ALA  20   5.914 -12.722   8.459
  149    HA   ALA  20           HA       ALA  20   8.327 -13.521   9.815
  150   1HB   ALA  20          1HB       ALA  20   5.732 -14.667   9.320
  151   2HB   ALA  20          2HB       ALA  20   7.007 -15.835   8.970
  152   3HB   ALA  20          3HB       ALA  20   6.920 -15.075  10.560
  153    H    ASP  21           H        ASP  21   7.271 -13.318   6.567
  154    HA   ASP  21           HA       ASP  21   8.959 -15.347   5.479
  155   1HB   ASP  21          2HB       ASP  21   6.783 -14.055   4.558
  156   2HB   ASP  21          3HB       ASP  21   8.036 -13.128   3.741
  157    H    MET  22           H        MET  22   9.670 -12.271   6.656
  158    HA   MET  22           HA       MET  22  12.112 -12.175   5.010
  159   1HB   MET  22          2HB       MET  22  10.063 -10.132   5.485
  160   2HB   MET  22          3HB       MET  22  11.701  -9.570   5.780
  161   1HG   MET  22          2HG       MET  22  12.215  -9.541   3.607
  162   2HG   MET  22          3HG       MET  22  11.392 -11.067   3.290
  163   1HE   MET  22          1HE       MET  22   8.626 -10.537   4.471
  164   2HE   MET  22          2HE       MET  22   7.637  -9.770   3.227
  165   3HE   MET  22          3HE       MET  22   8.620 -11.179   2.829
  166    H    VAL  23           H        VAL  23  13.774 -10.684   6.048
  167    HA   VAL  23           HA       VAL  23  14.102 -11.406   8.854
  168    HB   VAL  23           HB       VAL  23  15.954  -9.759   7.112
  169   1HG1  VAL  23          1HG1      VAL  23  16.090 -10.825   9.879
  170   2HG1  VAL  23          2HG1      VAL  23  17.574 -10.817   8.925
  171   3HG1  VAL  23          3HG1      VAL  23  16.702  -9.310   9.215
  172   1HG2  VAL  23          1HG2      VAL  23  15.367 -12.460   6.808
  173   2HG2  VAL  23          2HG2      VAL  23  16.764 -11.601   6.162
  174   3HG2  VAL  23          3HG2      VAL  23  16.881 -12.431   7.713
  175    H    MET  24           H        MET  24  13.012 -10.158  10.230
  176    HA   MET  24           HA       MET  24  12.139  -7.538   9.517
  177   1HB   MET  24          2HB       MET  24  11.833  -9.284  11.934
  178   2HB   MET  24          3HB       MET  24  11.365  -7.593  12.012
  179   1HG   MET  24          2HG       MET  24  10.052  -9.856  10.713
  180   2HG   MET  24          3HG       MET  24   9.377  -8.358  11.348
  181   1HE   MET  24          1HE       MET  24   7.906  -7.203   9.767
  182   2HE   MET  24          2HE       MET  24   9.245  -6.072   9.956
  183   3HE   MET  24          3HE       MET  24   8.556  -6.364   8.359
  184    H    LEU  25           H        LEU  25  13.636  -5.988   9.404
  185    HA   LEU  25           HA       LEU  25  15.432  -5.660  11.719
  186   1HB   LEU  25          2HB       LEU  25  15.904  -5.485   8.795
  187   2HB   LEU  25          3HB       LEU  25  16.752  -4.338   9.812
  188    HG   LEU  25           HG       LEU  25  16.996  -7.333   9.785
  189   1HD1  LEU  25          1HD1      LEU  25  18.501  -5.098   8.787
  190   2HD1  LEU  25          2HD1      LEU  25  19.467  -6.035   9.930
  191   3HD1  LEU  25          3HD1      LEU  25  18.747  -6.826   8.527
  192   1HD2  LEU  25          1HD2      LEU  25  16.782  -6.567  12.129
  193   2HD2  LEU  25          2HD2      LEU  25  18.380  -7.212  11.759
  194   3HD2  LEU  25          3HD2      LEU  25  18.135  -5.468  11.866
  195    H    SER  26           H        SER  26  15.679  -3.685  12.587
  196    HA   SER  26           HA       SER  26  13.650  -1.724  12.114
  197   1HB   SER  26          2HB       SER  26  15.812  -0.746  13.745
  198   2HB   SER  26          3HB       SER  26  14.178  -1.202  14.238
  199    HG   SER  26           HG       SER  26  16.460  -2.487  14.721
  200    HA   PRO  27           HA       PRO  27  15.304   0.728   8.868
  201   1HB   PRO  27          2HB       PRO  27  15.022   3.221  10.224
  202   2HB   PRO  27          3HB       PRO  27  13.928   2.499   9.042
  203   1HG   PRO  27          2HG       PRO  27  13.822   2.435  12.011
  204   2HG   PRO  27          3HG       PRO  27  12.498   2.421  10.833
  205   1HD   PRO  27          2HD       PRO  27  13.139   0.202  12.132
  206   2HD   PRO  27          3HD       PRO  27  12.752   0.133  10.405
  207    H    LYS  28           H        LYS  28  16.608   1.320  12.130
  208    HA   LYS  28           HA       LYS  28  18.857   2.810  11.172
  209   1HB   LYS  28          2HB       LYS  28  19.738   2.136  13.536
  210   2HB   LYS  28          3HB       LYS  28  18.436   3.305  13.382
  211   1HG   LYS  28          2HG       LYS  28  16.871   1.878  14.238
  212   2HG   LYS  28          3HG       LYS  28  17.736   0.435  13.703
  213   1HD   LYS  28          2HD       LYS  28  18.321   0.263  15.871
  214   2HD   LYS  28          3HD       LYS  28  19.518   1.489  15.451
  215   1HE   LYS  28          2HE       LYS  28  18.346   2.131  17.470
  216   2HE   LYS  28          3HE       LYS  28  17.948   3.242  16.159
  217   1HZ   LYS  28          HZ1       LYS  28  16.232   0.933  16.877
  218   2HZ   LYS  28          HZ2       LYS  28  16.038   2.472  17.572
  219   3HZ   LYS  28          HZ3       LYS  28  15.836   2.269  15.899
  220    H    ASP  29           H        ASP  29  18.277  -0.531  12.123
  221    HA   ASP  29           HA       ASP  29  20.970  -1.412  11.698
  222   1HB   ASP  29          2HB       ASP  29  18.683  -2.524  12.837
  223   2HB   ASP  29          3HB       ASP  29  18.959  -3.495  11.389
  224    H    ALA  30           H        ALA  30  18.079  -1.136   9.821
  225    HA   ALA  30           HA       ALA  30  18.929  -2.644   7.570
  226   1HB   ALA  30          1HB       ALA  30  16.562  -2.055   8.013
  227   2HB   ALA  30          2HB       ALA  30  16.942  -0.376   7.621
  228   3HB   ALA  30          3HB       ALA  30  17.094  -1.626   6.386
  229    H    TYR  31           H        TYR  31  18.985   0.820   8.354
  230    HA   TYR  31           HA       TYR  31  20.277   1.664   5.985
  231   1HB   TYR  31          HB2       TYR  31  19.147   3.309   7.260
  232   2HB   TYR  31          HB3       TYR  31  20.001   2.869   8.730
  233    HD1  TYR  31           HD1      TYR  31  20.608   4.267   5.326
  234    HD2  TYR  31           HD2      TYR  31  21.834   4.121   9.400
  235    HE1  TYR  31           HE1      TYR  31  22.244   6.052   4.894
  236    HE2  TYR  31           HE2      TYR  31  23.477   5.899   8.980
  237    HH   TYR  31           HH       TYR  31  24.470   6.821   5.957
  238    H    LYS  32           H        LYS  32  21.445   0.336   8.989
  239    HA   LYS  32           HA       LYS  32  24.133   1.082   8.887
  240   1HB   LYS  32          2HB       LYS  32  23.241   0.062  10.870
  241   2HB   LYS  32          3HB       LYS  32  22.801  -1.396   9.992
  242   1HG   LYS  32          2HG       LYS  32  25.527  -1.171   9.580
  243   2HG   LYS  32          3HG       LYS  32  25.303  -0.674  11.258
  244   1HD   LYS  32          2HD       LYS  32  23.713  -3.008  10.609
  245   2HD   LYS  32          3HD       LYS  32  25.428  -3.280  10.292
  246   1HE   LYS  32          2HE       LYS  32  25.463  -3.821  12.482
  247   2HE   LYS  32          3HE       LYS  32  25.585  -2.074  12.689
  248   1HZ   LYS  32          HZ1       LYS  32  22.922  -3.320  12.545
  249   2HZ   LYS  32          HZ2       LYS  32  23.803  -3.429  13.988
  250   3HZ   LYS  32          HZ3       LYS  32  23.408  -1.908  13.353
  251    H    LEU  33           H        LEU  33  22.593  -1.887   7.624
  252    HA   LEU  33           HA       LEU  33  25.002  -2.734   6.323
  253   1HB   LEU  33          2HB       LEU  33  23.235  -4.258   5.084
  254   2HB   LEU  33          3HB       LEU  33  23.751  -4.585   6.726
  255    HG   LEU  33           HG       LEU  33  21.569  -2.921   7.068
  256   1HD1  LEU  33          1HD1      LEU  33  21.283  -3.510   4.502
  257   2HD1  LEU  33          2HD1      LEU  33  20.585  -4.986   5.172
  258   3HD1  LEU  33          3HD1      LEU  33  19.899  -3.416   5.594
  259   1HD2  LEU  33          1HD2      LEU  33  22.442  -5.418   7.851
  260   2HD2  LEU  33          2HD2      LEU  33  20.983  -4.600   8.408
  261   3HD2  LEU  33          3HD2      LEU  33  20.896  -5.744   7.069
  262    H    LEU  34           H        LEU  34  22.299  -0.758   5.470
  263    HA   LEU  34           HA       LEU  34  22.457  -0.877   2.664
  264   1HB   LEU  34          2HB       LEU  34  21.442   1.184   4.596
  265   2HB   LEU  34          3HB       LEU  34  21.471   1.514   2.875
  266    HG   LEU  34           HG       LEU  34  20.009  -0.804   4.135
  267   1HD1  LEU  34          1HD1      LEU  34  19.177   1.517   4.723
  268   2HD1  LEU  34          2HD1      LEU  34  18.786   1.698   3.012
  269   3HD1  LEU  34          3HD1      LEU  34  18.017   0.428   3.963
  270   1HD2  LEU  34          1HD2      LEU  34  20.446   0.138   1.360
  271   2HD2  LEU  34          2HD2      LEU  34  20.256  -1.500   1.987
  272   3HD2  LEU  34          3HD2      LEU  34  18.841  -0.467   1.773
  273    H    GLN  35           H        GLN  35  23.799   1.534   4.919
  274    HA   GLN  35           HA       GLN  35  25.150   2.895   2.823
  275   1HB   GLN  35          2HB       GLN  35  25.848   4.435   4.453
  276   2HB   GLN  35          3HB       GLN  35  24.264   3.891   4.982
  277   1HG   GLN  35          2HG       GLN  35  25.066   3.116   6.895
  278   2HG   GLN  35          3HG       GLN  35  26.383   2.265   6.088
  279   1HE2  GLN  35          1HE2      GLN  35  28.217   3.638   5.384
  280   2HE2  GLN  35          2HE2      GLN  35  28.696   4.948   6.409
  281    H    GLU  36           H        GLU  36  26.111   0.355   5.034
  282    HA   GLU  36           HA       GLU  36  28.924   0.779   4.653
  283   1HB   GLU  36          2HB       GLU  36  27.226  -1.239   6.051
  284   2HB   GLU  36          3HB       GLU  36  28.893  -1.662   5.679
  285   1HG   GLU  36          2HG       GLU  36  29.449   0.605   6.797
  286   2HG   GLU  36          3HG       GLU  36  27.841   0.452   7.500
  287    H    ASN  37           H        ASN  37  26.430  -1.225   3.272
  288    HA   ASN  37           HA       ASN  37  28.395  -2.293   1.354
  289   1HB   ASN  37          2HB       ASN  37  25.844  -3.537   2.401
  290   2HB   ASN  37          3HB       ASN  37  26.763  -4.179   1.048
  291   1HD2  ASN  37          1HD2      ASN  37  26.387  -4.130   4.389
  292   2HD2  ASN  37          2HD2      ASN  37  27.805  -5.018   4.818
  293    HA   PRO  38           HA       PRO  38  25.873   0.695  -0.969
  294   1HB   PRO  38          2HB       PRO  38  28.006   0.109  -2.959
  295   2HB   PRO  38          3HB       PRO  38  27.388   1.665  -2.393
  296   1HG   PRO  38          2HG       PRO  38  29.749   0.779  -1.560
  297   2HG   PRO  38          3HG       PRO  38  28.644   1.596  -0.435
  298   1HD   PRO  38          2HD       PRO  38  29.224  -1.327  -0.739
  299   2HD   PRO  38          3HD       PRO  38  28.986  -0.372   0.739
  300    H    ASP  39           H        ASP  39  26.348  -2.589  -1.493
  301    HA   ASP  39           HA       ASP  39  24.869  -2.569  -4.010
  302   1HB   ASP  39          2HB       ASP  39  26.963  -4.082  -3.469
  303   2HB   ASP  39          3HB       ASP  39  25.751  -5.112  -2.711
  304    H    ILE  40           H        ILE  40  24.437  -2.988  -0.657
  305    HA   ILE  40           HA       ILE  40  21.953  -4.462  -0.869
  306    HB   ILE  40           HB       ILE  40  23.072  -2.919   1.480
  307   1HG1  ILE  40          2HG1      ILE  40  23.209  -5.850   0.745
  308   2HG1  ILE  40          3HG1      ILE  40  24.560  -4.738   0.937
  309   1HG2  ILE  40          1HG2      ILE  40  20.763  -4.839   1.248
  310   2HG2  ILE  40          2HG2      ILE  40  21.454  -4.307   2.780
  311   3HG2  ILE  40          3HG2      ILE  40  20.702  -3.135   1.697
  312   1HD1  ILE  40          1HD1      ILE  40  23.769  -4.524   3.369
  313   2HD1  ILE  40          2HD1      ILE  40  22.836  -5.985   3.038
  314   3HD1  ILE  40          3HD1      ILE  40  24.593  -6.005   2.879
  315    H    THR  41           H        THR  41  20.347  -3.479  -1.848
  316    HA   THR  41           HA       THR  41  20.130  -0.570  -1.714
  317    HB   THR  41           HB       THR  41  18.305  -2.156  -3.441
  318    HG1  THR  41           HG1      THR  41  20.909  -2.688  -3.390
  319   1HG2  THR  41          1HG2      THR  41  18.998   0.493  -3.219
  320   2HG2  THR  41          2HG2      THR  41  19.957  -0.043  -4.600
  321   3HG2  THR  41          3HG2      THR  41  18.204  -0.245  -4.610
  322    H    LEU  42           H        LEU  42  18.243   0.523  -1.082
  323    HA   LEU  42           HA       LEU  42  16.278  -1.131   0.356
  324   1HB   LEU  42          2HB       LEU  42  17.279   0.529   1.809
  325   2HB   LEU  42          3HB       LEU  42  16.976   1.795   0.633
  326    HG   LEU  42           HG       LEU  42  14.456   1.085   0.998
  327   1HD1  LEU  42          1HD1      LEU  42  15.671  -0.616   2.798
  328   2HD1  LEU  42          2HD1      LEU  42  15.088   0.712   3.801
  329   3HD1  LEU  42          3HD1      LEU  42  13.965  -0.168   2.768
  330   1HD2  LEU  42          1HD2      LEU  42  15.861   3.228   1.639
  331   2HD2  LEU  42          2HD2      LEU  42  14.214   2.982   2.227
  332   3HD2  LEU  42          3HD2      LEU  42  15.588   2.615   3.272
  333    H    ILE  43           H        ILE  43  14.277  -1.264  -0.433
  334    HA   ILE  43           HA       ILE  43  13.534   0.607  -2.585
  335    HB   ILE  43           HB       ILE  43  12.939  -2.312  -2.232
  336   1HG1  ILE  43          2HG1      ILE  43  13.218  -1.482  -4.930
  337   2HG1  ILE  43          3HG1      ILE  43  14.467  -0.659  -3.999
  338   1HG2  ILE  43          1HG2      ILE  43  10.891  -0.545  -2.745
  339   2HG2  ILE  43          2HG2      ILE  43  11.395  -1.050  -4.358
  340   3HG2  ILE  43          3HG2      ILE  43  10.908  -2.258  -3.168
  341   1HD1  ILE  43          1HD1      ILE  43  14.033  -3.590  -3.676
  342   2HD1  ILE  43          2HD1      ILE  43  14.959  -2.964  -5.039
  343   3HD1  ILE  43          3HD1      ILE  43  15.485  -2.634  -3.388
  344    H    ASP  44           H        ASP  44  12.005   1.981  -2.093
  345    HA   ASP  44           HA       ASP  44  10.355   1.468   0.269
  346   1HB   ASP  44          2HB       ASP  44  11.215   3.584   0.564
  347   2HB   ASP  44          3HB       ASP  44  11.271   3.913  -1.162
  348    H    VAL  45           H        VAL  45   8.176   1.337   0.195
  349    HA   VAL  45           HA       VAL  45   6.902   1.699  -2.431
  350    HB   VAL  45           HB       VAL  45   5.313  -0.114  -0.946
  351   1HG1  VAL  45          1HG1      VAL  45   6.383   0.198  -3.546
  352   2HG1  VAL  45          2HG1      VAL  45   6.712  -1.456  -3.028
  353   3HG1  VAL  45          3HG1      VAL  45   5.058  -0.844  -3.023
  354   1HG2  VAL  45          1HG2      VAL  45   7.886  -0.460  -0.061
  355   2HG2  VAL  45          2HG2      VAL  45   6.618  -1.686  -0.030
  356   3HG2  VAL  45          3HG2      VAL  45   7.767  -1.639  -1.368
  357    H    ARG  46           H        ARG  46   6.151   3.687  -1.986
  358    HA   ARG  46           HA       ARG  46   3.901   3.883  -0.176
  359   1HB   ARG  46          2HB       ARG  46   6.151   4.555   1.002
  360   2HB   ARG  46          3HB       ARG  46   6.005   6.015   0.036
  361   1HG   ARG  46          2HG       ARG  46   5.035   6.613   2.047
  362   2HG   ARG  46          3HG       ARG  46   3.643   6.195   1.048
  363   1HD   ARG  46          2HD       ARG  46   3.134   4.373   2.287
  364   2HD   ARG  46          3HD       ARG  46   4.823   3.980   2.595
  365    HE   ARG  46           HE       ARG  46   4.665   5.087   4.575
  366   1HH1  ARG  46          1HH1      ARG  46   2.021   6.176   2.524
  367   2HH1  ARG  46          2HH1      ARG  46   1.336   7.196   3.766
  368   1HH2  ARG  46          1HH2      ARG  46   3.700   6.409   6.202
  369   2HH2  ARG  46          2HH2      ARG  46   2.265   7.310   5.817
  370    H    ASP  47           H        ASP  47   2.738   6.002  -0.550
  371    HA   ASP  47           HA       ASP  47   2.819   6.500  -3.399
  372   1HB   ASP  47          2HB       ASP  47   0.848   7.069  -1.218
  373   2HB   ASP  47          3HB       ASP  47   0.742   7.953  -2.741
  374    HA   PRO  48           HA       PRO  48   5.446   9.804  -3.397
  375   1HB   PRO  48          2HB       PRO  48   4.309  11.345  -5.437
  376   2HB   PRO  48          3HB       PRO  48   5.444  10.007  -5.635
  377   1HG   PRO  48          2HG       PRO  48   2.473  10.030  -5.863
  378   2HG   PRO  48          3HG       PRO  48   3.667   9.107  -6.796
  379   1HD   PRO  48          2HD       PRO  48   2.205   7.940  -4.889
  380   2HD   PRO  48          3HD       PRO  48   3.912   7.506  -5.128
  381    H    ASP  49           H        ASP  49   2.109  10.659  -2.847
  382    HA   ASP  49           HA       ASP  49   2.703  13.452  -2.461
  383   1HB   ASP  49          2HB       ASP  49   0.325  11.898  -2.621
  384   2HB   ASP  49          3HB       ASP  49   0.289  12.810  -1.110
  385    H    GLU  50           H        GLU  50   2.322  10.660  -0.329
  386    HA   GLU  50           HA       GLU  50   2.677  12.207   2.065
  387   1HB   GLU  50          2HB       GLU  50   1.821   9.627   1.529
  388   2HB   GLU  50          3HB       GLU  50   3.402   9.384   2.260
  389   1HG   GLU  50          2HG       GLU  50   2.708  10.024   4.293
  390   2HG   GLU  50          3HG       GLU  50   1.698  11.320   3.655
  391    H    LEU  51           H        LEU  51   4.720  10.364  -0.128
  392    HA   LEU  51           HA       LEU  51   7.120  10.399   1.336
  393   1HB   LEU  51          2HB       LEU  51   6.291   9.523  -1.163
  394   2HB   LEU  51          3HB       LEU  51   7.484  10.757  -1.527
  395    HG   LEU  51           HG       LEU  51   9.000   9.499   0.135
  396   1HD1  LEU  51          1HD1      LEU  51   6.631   7.881   0.186
  397   2HD1  LEU  51          2HD1      LEU  51   8.010   6.941  -0.389
  398   3HD1  LEU  51          3HD1      LEU  51   8.091   7.762   1.169
  399   1HD2  LEU  51          1HD2      LEU  51   8.602   9.325  -2.616
  400   2HD2  LEU  51          2HD2      LEU  51  10.023   8.802  -1.710
  401   3HD2  LEU  51          3HD2      LEU  51   8.733   7.654  -2.067
  402    H    LYS  52           H        LYS  52   5.796  12.650  -1.017
  403    HA   LYS  52           HA       LYS  52   7.985  14.426  -1.037
  404   1HB   LYS  52          2HB       LYS  52   5.349  14.313  -2.207
  405   2HB   LYS  52          3HB       LYS  52   5.698  15.942  -1.644
  406   1HG   LYS  52          2HG       LYS  52   6.881  16.292  -3.479
  407   2HG   LYS  52          3HG       LYS  52   8.010  15.034  -2.969
  408   1HD   LYS  52          2HD       LYS  52   7.335  13.726  -4.633
  409   2HD   LYS  52          3HD       LYS  52   5.674  13.795  -4.038
  410   1HE   LYS  52          2HE       LYS  52   6.623  16.174  -5.498
  411   2HE   LYS  52          3HE       LYS  52   6.452  14.704  -6.456
  412   1HZ   LYS  52          HZ1       LYS  52   4.152  14.585  -5.296
  413   2HZ   LYS  52          HZ2       LYS  52   4.388  16.245  -5.031
  414   3HZ   LYS  52          HZ3       LYS  52   4.370  15.627  -6.612
  415    H    ALA  53           H        ALA  53   5.098  14.266   0.959
  416    HA   ALA  53           HA       ALA  53   5.506  16.852   2.108
  417   1HB   ALA  53          1HB       ALA  53   3.445  14.863   2.081
  418   2HB   ALA  53          2HB       ALA  53   3.732  15.416   3.730
  419   3HB   ALA  53          3HB       ALA  53   3.339  16.580   2.465
  420    H    MET  54           H        MET  54   5.841  13.520   3.381
  421    HA   MET  54           HA       MET  54   6.832  14.621   5.878
  422   1HB   MET  54          2HB       MET  54   5.910  11.959   4.932
  423   2HB   MET  54          3HB       MET  54   7.005  11.998   6.307
  424   1HG   MET  54          2HG       MET  54   5.175  13.904   6.978
  425   2HG   MET  54          3HG       MET  54   4.187  12.722   6.125
  426   1HE   MET  54          1HE       MET  54   3.031  11.344   7.043
  427   2HE   MET  54          2HE       MET  54   3.519  10.035   8.120
  428   3HE   MET  54          3HE       MET  54   2.817  11.510   8.787
  429    H    GLY  55           H        GLY  55   8.116  12.724   3.197
  430   1HA   GLY  55          1HA       GLY  55  10.509  13.304   2.764
  431   2HA   GLY  55          2HA       GLY  55  10.753  12.923   4.458
  432    H    LYS  56           H        LYS  56  12.314  11.667   2.792
  433    HA   LYS  56           HA       LYS  56  11.472   8.882   2.959
  434   1HB   LYS  56          2HB       LYS  56  12.218   8.457   0.614
  435   2HB   LYS  56          3HB       LYS  56  10.784   9.469   0.706
  436   1HG   LYS  56          2HG       LYS  56  12.934  11.249   0.707
  437   2HG   LYS  56          3HG       LYS  56  13.342  10.017  -0.489
  438   1HD   LYS  56          2HD       LYS  56  11.831  10.800  -1.929
  439   2HD   LYS  56          3HD       LYS  56  10.570  10.800  -0.698
  440   1HE   LYS  56          2HE       LYS  56  12.664  12.950  -0.818
  441   2HE   LYS  56          3HE       LYS  56  11.188  13.041  -1.778
  442   1HZ   LYS  56          HZ1       LYS  56  10.038  12.633   0.487
  443   2HZ   LYS  56          HZ2       LYS  56  11.505  13.166   1.146
  444   3HZ   LYS  56          HZ3       LYS  56  10.621  14.183   0.127
  445    HA   PRO  57           HA       PRO  57  15.677   8.263   4.118
  446   1HB   PRO  57          2HB       PRO  57  16.563   6.166   2.572
  447   2HB   PRO  57          3HB       PRO  57  15.581   5.994   4.032
  448   1HG   PRO  57          2HG       PRO  57  14.746   5.937   1.162
  449   2HG   PRO  57          3HG       PRO  57  14.159   4.960   2.520
  450   1HD   PRO  57          2HD       PRO  57  12.760   7.045   1.535
  451   2HD   PRO  57          3HD       PRO  57  12.735   6.616   3.259
  452    H    ASP  58           H        ASP  58  17.313   9.578   3.657
  453    HA   ASP  58           HA       ASP  58  17.962  10.142   0.861
  454   1HB   ASP  58          2HB       ASP  58  17.664  12.055   2.436
  455   2HB   ASP  58          3HB       ASP  58  19.043  11.467   3.359
  456    H    VAL  59           H        VAL  59  18.799   7.886   0.737
  457    HA   VAL  59           HA       VAL  59  21.560   7.767   1.750
  458    HB   VAL  59           HB       VAL  59  21.466   5.393   1.844
  459   1HG1  VAL  59          1HG1      VAL  59  20.348   6.647   3.695
  460   2HG1  VAL  59          2HG1      VAL  59  18.803   6.316   2.909
  461   3HG1  VAL  59          3HG1      VAL  59  19.797   4.983   3.500
  462   1HG2  VAL  59          1HG2      VAL  59  19.090   5.718   0.119
  463   2HG2  VAL  59          2HG2      VAL  59  20.350   4.482   0.102
  464   3HG2  VAL  59          3HG2      VAL  59  19.045   4.396   1.285
  465    H    LYS  60           H        LYS  60  22.890   6.178   0.271
  466    HA   LYS  60           HA       LYS  60  22.845   7.458  -2.313
  467   1HB   LYS  60          2HB       LYS  60  24.768   5.290  -2.061
  468   2HB   LYS  60          3HB       LYS  60  25.034   6.987  -2.415
  469   1HG   LYS  60          2HG       LYS  60  26.094   7.002  -0.456
  470   2HG   LYS  60          3HG       LYS  60  24.479   7.076   0.246
  471   1HD   LYS  60          2HD       LYS  60  24.902   5.151   1.288
  472   2HD   LYS  60          3HD       LYS  60  24.979   4.361  -0.287
  473   1HE   LYS  60          2HE       LYS  60  27.239   5.530   1.318
  474   2HE   LYS  60          3HE       LYS  60  27.010   3.853   0.828
  475   1HZ   LYS  60          HZ1       LYS  60  27.222   4.664  -1.521
  476   2HZ   LYS  60          HZ2       LYS  60  27.716   6.164  -0.893
  477   3HZ   LYS  60          HZ3       LYS  60  28.637   4.771  -0.589
  478    H    ASN  61           H        ASN  61  21.864   4.420  -1.018
  479    HA   ASN  61           HA       ASN  61  21.371   3.442  -3.745
  480   1HB   ASN  61          2HB       ASN  61  21.614   1.111  -2.630
  481   2HB   ASN  61          3HB       ASN  61  23.060   2.018  -3.037
  482   1HD2  ASN  61          1HD2      ASN  61  23.701   0.258  -1.448
  483   2HD2  ASN  61          2HD2      ASN  61  23.764   0.713   0.216
  484    H    TYR  62           H        TYR  62  19.335   4.680  -3.211
  485    HA   TYR  62           HA       TYR  62  17.386   2.747  -2.180
  486   1HB   TYR  62          HB2       TYR  62  17.165   4.160  -0.401
  487   2HB   TYR  62          HB3       TYR  62  17.855   5.525  -1.267
  488    HD1  TYR  62           HD1      TYR  62  14.736   3.488  -1.051
  489    HD2  TYR  62           HD2      TYR  62  16.474   7.266  -1.938
  490    HE1  TYR  62           HE1      TYR  62  12.498   4.461  -1.278
  491    HE2  TYR  62           HE2      TYR  62  14.233   8.251  -2.163
  492    HH   TYR  62           HH       TYR  62  11.313   6.358  -1.479
  493    H    LYS  63           H        LYS  63  15.550   2.570  -3.402
  494    HA   LYS  63           HA       LYS  63  15.119   4.554  -5.506
  495   1HB   LYS  63          2HB       LYS  63  14.358   2.034  -6.584
  496   2HB   LYS  63          3HB       LYS  63  15.518   3.192  -7.208
  497   1HG   LYS  63          2HG       LYS  63  17.275   2.149  -5.880
  498   2HG   LYS  63          3HG       LYS  63  16.106   0.974  -5.263
  499   1HD   LYS  63          2HD       LYS  63  16.006  -0.161  -7.231
  500   2HD   LYS  63          3HD       LYS  63  16.265   1.294  -8.197
  501   1HE   LYS  63          2HE       LYS  63  18.582   0.598  -6.589
  502   2HE   LYS  63          3HE       LYS  63  18.111  -0.698  -7.689
  503   1HZ   LYS  63          HZ1       LYS  63  18.123   0.991  -9.497
  504   2HZ   LYS  63          HZ2       LYS  63  18.779   2.109  -8.405
  505   3HZ   LYS  63          HZ3       LYS  63  19.648   0.709  -8.812
  506    H    HIS  64           H        HIS  64  13.053   5.076  -5.829
  507    HA   HIS  64           HA       HIS  64  11.064   3.794  -4.111
  508   1HB   HIS  64          2HB       HIS  64  11.231   6.239  -4.032
  509   2HB   HIS  64          3HB       HIS  64  10.958   6.332  -5.766
  510    HD1  HIS  64           HD1      HIS  64   8.833   7.722  -5.601
  511    HD2  HIS  64           HD2      HIS  64   8.639   4.153  -3.470
  512    HE1  HIS  64           HE1      HIS  64   6.426   7.455  -4.945
  513    HE2  HIS  64           HE2      HIS  64   6.385   5.428  -3.458
  514    H    MET  65           H        MET  65   9.902   2.166  -4.960
  515    HA   MET  65           HA       MET  65   9.498   2.086  -7.867
  516   1HB   MET  65          2HB       MET  65  10.049   0.095  -5.892
  517   2HB   MET  65          3HB       MET  65   8.463  -0.236  -6.579
  518   1HG   MET  65          2HG       MET  65   9.387  -1.101  -8.383
  519   2HG   MET  65          3HG       MET  65  10.254   0.400  -8.697
  520   1HE   MET  65          1HE       MET  65  11.960   0.816  -6.348
  521   2HE   MET  65          2HE       MET  65  13.413  -0.188  -6.374
  522   3HE   MET  65          3HE       MET  65  12.966   0.756  -7.794
  523    H    SER  66           H        SER  66   7.292   1.088  -8.467
  524    HA   SER  66           HA       SER  66   5.216   2.725  -7.356
  525   1HB   SER  66          2HB       SER  66   4.660   0.400  -9.157
  526   2HB   SER  66          3HB       SER  66   3.926   2.004  -9.139
  527    HG   SER  66           HG       SER  66   5.880   2.835  -9.978
  528    H    ARG  67           H        ARG  67   3.077   1.562  -6.735
  529    HA   ARG  67           HA       ARG  67   3.820  -0.273  -4.602
  530   1HB   ARG  67          2HB       ARG  67   1.280   1.270  -5.141
  531   2HB   ARG  67          3HB       ARG  67   1.508   0.200  -3.764
  532   1HG   ARG  67          2HG       ARG  67   2.260   1.978  -2.666
  533   2HG   ARG  67          3HG       ARG  67   3.708   1.869  -3.668
  534   1HD   ARG  67          2HD       ARG  67   1.343   3.280  -4.782
  535   2HD   ARG  67          3HD       ARG  67   2.259   4.089  -3.512
  536    HE   ARG  67           HE       ARG  67   4.151   3.281  -5.299
  537   1HH1  ARG  67          1HH1      ARG  67   1.279   5.286  -5.432
  538   2HH1  ARG  67          2HH1      ARG  67   1.830   6.193  -6.814
  539   1HH2  ARG  67          1HH2      ARG  67   4.891   4.497  -7.096
  540   2HH2  ARG  67          2HH2      ARG  67   3.885   5.753  -7.753
  541    H    GLY  68           H        GLY  68   1.542  -0.112  -7.296
  542   1HA   GLY  68          1HA       GLY  68   1.039  -2.994  -6.977
  543   2HA   GLY  68          2HA       GLY  68   0.023  -1.886  -7.895
  544    H    LYS  69           H        LYS  69   1.879  -0.527  -9.348
  545    HA   LYS  69           HA       LYS  69   2.648  -2.543 -11.290
  546   1HB   LYS  69          2HB       LYS  69   2.617   0.476 -11.389
  547   2HB   LYS  69          3HB       LYS  69   3.175  -0.535 -12.715
  548   1HG   LYS  69          2HG       LYS  69   0.904  -1.615 -12.703
  549   2HG   LYS  69          3HG       LYS  69   0.401  -0.350 -11.578
  550   1HD   LYS  69          2HD       LYS  69   0.113   1.086 -13.251
  551   2HD   LYS  69          3HD       LYS  69   1.765   0.823 -13.811
  552   1HE   LYS  69          2HE       LYS  69  -0.257  -1.261 -14.427
  553   2HE   LYS  69          3HE       LYS  69  -0.349   0.259 -15.315
  554   1HZ   LYS  69          HZ1       LYS  69   2.230  -0.235 -15.563
  555   2HZ   LYS  69          HZ2       LYS  69   1.684  -1.832 -15.407
  556   3HZ   LYS  69          HZ3       LYS  69   1.081  -0.847 -16.651
  557    H    LEU  70           H        LEU  70   4.142  -2.464  -8.849
  558    HA   LEU  70           HA       LEU  70   6.628  -1.143  -9.303
  559   1HB   LEU  70          2HB       LEU  70   7.359  -2.074  -7.341
  560   2HB   LEU  70          3HB       LEU  70   5.629  -2.091  -7.086
  561    HG   LEU  70           HG       LEU  70   6.538  -4.574  -8.284
  562   1HD1  LEU  70          1HD1      LEU  70   8.193  -3.418  -6.207
  563   2HD1  LEU  70          2HD1      LEU  70   7.481  -4.953  -5.708
  564   3HD1  LEU  70          3HD1      LEU  70   8.448  -4.867  -7.181
  565   1HD2  LEU  70          1HD2      LEU  70   4.373  -4.036  -7.073
  566   2HD2  LEU  70          2HD2      LEU  70   5.184  -5.533  -6.607
  567   3HD2  LEU  70          3HD2      LEU  70   5.311  -4.105  -5.579
  568    H    GLU  71           H        GLU  71   5.258  -4.236 -10.026
  569    HA   GLU  71           HA       GLU  71   7.340  -5.821 -10.619
  570   1HB   GLU  71          2HB       GLU  71   5.578  -6.244 -12.802
  571   2HB   GLU  71          3HB       GLU  71   5.729  -7.173 -11.319
  572   1HG   GLU  71          2HG       GLU  71   3.700  -6.534 -10.717
  573   2HG   GLU  71          3HG       GLU  71   4.218  -4.848 -10.728
  574    HA   PRO  72           HA       PRO  72   8.180  -4.202 -15.052
  575   1HB   PRO  72          2HB       PRO  72   6.973  -1.979 -15.963
  576   2HB   PRO  72          3HB       PRO  72   6.232  -3.578 -16.109
  577   1HG   PRO  72          2HG       PRO  72   5.705  -1.424 -14.097
  578   2HG   PRO  72          3HG       PRO  72   4.550  -2.448 -14.971
  579   1HD   PRO  72          2HD       PRO  72   5.331  -2.932 -12.409
  580   2HD   PRO  72          3HD       PRO  72   4.834  -4.212 -13.532
  581    H    LEU  73           H        LEU  73   7.815  -2.109 -12.341
  582    HA   LEU  73           HA       LEU  73   9.751  -0.152 -13.265
  583   1HB   LEU  73          2HB       LEU  73   7.816  -0.337 -11.150
  584   2HB   LEU  73          3HB       LEU  73   9.384   0.009 -10.444
  585    HG   LEU  73           HG       LEU  73   7.729   1.930 -11.206
  586   1HD1  LEU  73          1HD1      LEU  73   9.914   2.195 -10.120
  587   2HD1  LEU  73          2HD1      LEU  73  10.697   2.066 -11.697
  588   3HD1  LEU  73          3HD1      LEU  73   9.615   3.419 -11.354
  589   1HD2  LEU  73          1HD2      LEU  73   9.266   1.286 -13.716
  590   2HD2  LEU  73          2HD2      LEU  73   7.515   1.310 -13.510
  591   3HD2  LEU  73          3HD2      LEU  73   8.434   2.812 -13.420
  592    H    LEU  74           H        LEU  74   9.655  -3.148 -11.622
  593    HA   LEU  74           HA       LEU  74  12.005  -3.106 -10.097
  594   1HB   LEU  74          2HB       LEU  74  10.043  -4.945 -10.756
  595   2HB   LEU  74          3HB       LEU  74  11.474  -5.618 -11.509
  596    HG   LEU  74           HG       LEU  74  12.617  -5.664  -9.364
  597   1HD1  LEU  74          1HD1      LEU  74  11.252  -3.648  -8.508
  598   2HD1  LEU  74          2HD1      LEU  74  10.080  -4.863  -7.998
  599   3HD1  LEU  74          3HD1      LEU  74  11.727  -4.903  -7.365
  600   1HD2  LEU  74          1HD2      LEU  74  11.227  -7.570 -10.078
  601   2HD2  LEU  74          2HD2      LEU  74  11.322  -7.415  -8.324
  602   3HD2  LEU  74          3HD2      LEU  74   9.871  -6.890  -9.178
  603    H    ALA  75           H        ALA  75  11.446  -4.228 -13.403
  604    HA   ALA  75           HA       ALA  75  14.140  -4.770 -14.029
  605   1HB   ALA  75          1HB       ALA  75  11.605  -4.532 -15.548
  606   2HB   ALA  75          2HB       ALA  75  13.116  -4.456 -16.453
  607   3HB   ALA  75          3HB       ALA  75  12.754  -5.867 -15.460
  608    H    LYS  76           H        LYS  76  12.258  -1.834 -14.113
  609    HA   LYS  76           HA       LYS  76  14.100  -0.437 -15.836
  610   1HB   LYS  76          2HB       LYS  76  11.933   0.729 -14.086
  611   2HB   LYS  76          3HB       LYS  76  12.738   1.519 -15.435
  612   1HG   LYS  76          2HG       LYS  76  11.590  -0.939 -16.322
  613   2HG   LYS  76          3HG       LYS  76  10.373   0.010 -15.462
  614   1HD   LYS  76          2HD       LYS  76  10.116   1.201 -17.329
  615   2HD   LYS  76          3HD       LYS  76  11.739   1.842 -17.067
  616   1HE   LYS  76          2HE       LYS  76  12.229  -0.614 -18.202
  617   2HE   LYS  76          3HE       LYS  76  10.775  -0.078 -19.046
  618   1HZ   LYS  76          HZ1       LYS  76  13.025   1.788 -18.732
  619   2HZ   LYS  76          HZ2       LYS  76  13.115   0.580 -19.920
  620   3HZ   LYS  76          HZ3       LYS  76  11.852   1.712 -19.954
  621    H    SER  77           H        SER  77  13.814  -1.035 -12.460
  622    HA   SER  77           HA       SER  77  15.339   1.252 -11.636
  623   1HB   SER  77          2HB       SER  77  14.569  -1.248 -10.117
  624   2HB   SER  77          3HB       SER  77  15.261   0.212  -9.406
  625    HG   SER  77           HG       SER  77  12.720  -0.164 -10.585
  626    H    GLY  78           H        GLY  78  16.010  -2.154 -12.310
  627   1HA   GLY  78          1HA       GLY  78  18.116  -2.921 -13.039
  628   2HA   GLY  78          2HA       GLY  78  18.860  -1.497 -12.323
  629    H    LEU  79           H        LEU  79  16.932  -4.299 -11.286
  630    HA   LEU  79           HA       LEU  79  18.642  -4.463  -8.903
  631   1HB   LEU  79          2HB       LEU  79  15.833  -5.476  -9.351
  632   2HB   LEU  79          3HB       LEU  79  16.764  -5.722  -7.885
  633    HG   LEU  79           HG       LEU  79  16.118  -2.975  -8.926
  634   1HD1  LEU  79          1HD1      LEU  79  14.406  -4.898  -7.501
  635   2HD1  LEU  79          2HD1      LEU  79  14.451  -3.261  -6.843
  636   3HD1  LEU  79          3HD1      LEU  79  13.975  -3.524  -8.520
  637   1HD2  LEU  79          1HD2      LEU  79  17.534  -4.089  -6.639
  638   2HD2  LEU  79          2HD2      LEU  79  17.574  -2.461  -7.315
  639   3HD2  LEU  79          3HD2      LEU  79  16.297  -2.917  -6.188
  640    H    ASP  80           H        ASP  80  19.738  -6.308  -8.466
  641    HA   ASP  80           HA       ASP  80  19.392  -8.547 -10.335
  642   1HB   ASP  80          2HB       ASP  80  21.493  -8.057 -11.008
  643   2HB   ASP  80          3HB       ASP  80  21.744  -6.942  -9.674
  644    HA   PRO  81           HA       PRO  81  18.412 -10.839  -6.738
  645   1HB   PRO  81          2HB       PRO  81  19.005 -13.368  -7.612
  646   2HB   PRO  81          3HB       PRO  81  17.553 -12.469  -8.080
  647   1HG   PRO  81          2HG       PRO  81  20.130 -12.815  -9.561
  648   2HG   PRO  81          3HG       PRO  81  18.466 -12.877 -10.175
  649   1HD   PRO  81          2HD       PRO  81  20.010 -10.701 -10.496
  650   2HD   PRO  81          3HD       PRO  81  18.261 -10.572 -10.212
  651    H    GLU  82           H        GLU  82  21.540 -10.228  -7.484
  652    HA   GLU  82           HA       GLU  82  22.598 -12.091  -5.479
  653   1HB   GLU  82          2HB       GLU  82  23.987 -10.377  -7.541
  654   2HB   GLU  82          3HB       GLU  82  24.835 -11.274  -6.290
  655   1HG   GLU  82          2HG       GLU  82  22.965 -12.905  -7.815
  656   2HG   GLU  82          3HG       GLU  82  24.245 -12.188  -8.796
  657    H    LYS  83           H        LYS  83  21.640  -8.846  -5.979
  658    HA   LYS  83           HA       LYS  83  23.257  -7.883  -3.743
  659   1HB   LYS  83          2HB       LYS  83  21.489  -5.842  -4.540
  660   2HB   LYS  83          3HB       LYS  83  23.215  -5.943  -4.838
  661   1HG   LYS  83          2HG       LYS  83  22.635  -7.288  -6.901
  662   2HG   LYS  83          3HG       LYS  83  20.966  -6.785  -6.631
  663   1HD   LYS  83          2HD       LYS  83  21.438  -4.934  -7.776
  664   2HD   LYS  83          3HD       LYS  83  22.461  -4.442  -6.425
  665   1HE   LYS  83          2HE       LYS  83  23.202  -5.584  -9.064
  666   2HE   LYS  83          3HE       LYS  83  23.988  -4.324  -8.116
  667   1HZ   LYS  83          HZ1       LYS  83  24.646  -6.179  -6.546
  668   2HZ   LYS  83          HZ2       LYS  83  24.171  -7.258  -7.771
  669   3HZ   LYS  83          HZ3       LYS  83  25.426  -6.149  -8.049
  670    HA   PRO  84           HA       PRO  84  19.913  -8.697  -0.919
  671   1HB   PRO  84          2HB       PRO  84  21.428  -6.935   0.886
  672   2HB   PRO  84          3HB       PRO  84  21.002  -8.637   1.078
  673   1HG   PRO  84          2HG       PRO  84  23.526  -7.873   0.593
  674   2HG   PRO  84          3HG       PRO  84  22.858  -9.374  -0.078
  675   1HD   PRO  84          2HD       PRO  84  23.244  -6.711  -1.408
  676   2HD   PRO  84          3HD       PRO  84  23.585  -8.341  -2.034
  677    H    VAL  85           H        VAL  85  18.107  -7.588  -0.296
  678    HA   VAL  85           HA       VAL  85  18.141  -4.667  -0.543
  679    HB   VAL  85           HB       VAL  85  15.815  -4.914  -1.632
  680   1HG1  VAL  85          1HG1      VAL  85  18.482  -4.915  -2.751
  681   2HG1  VAL  85          2HG1      VAL  85  17.306  -5.629  -3.856
  682   3HG1  VAL  85          3HG1      VAL  85  17.055  -3.997  -3.236
  683   1HG2  VAL  85          1HG2      VAL  85  16.972  -7.649  -2.095
  684   2HG2  VAL  85          2HG2      VAL  85  15.396  -7.225  -1.429
  685   3HG2  VAL  85          3HG2      VAL  85  15.732  -6.954  -3.139
  686    H    VAL  86           H        VAL  86  16.551  -3.582   0.631
  687    HA   VAL  86           HA       VAL  86  14.967  -5.232   2.468
  688    HB   VAL  86           HB       VAL  86  16.585  -4.450   3.945
  689   1HG1  VAL  86          1HG1      VAL  86  16.709  -2.078   2.175
  690   2HG1  VAL  86          2HG1      VAL  86  17.159  -1.871   3.868
  691   3HG1  VAL  86          3HG1      VAL  86  18.005  -3.052   2.869
  692   1HG2  VAL  86          1HG2      VAL  86  14.036  -3.282   4.125
  693   2HG2  VAL  86          2HG2      VAL  86  15.188  -3.579   5.427
  694   3HG2  VAL  86          3HG2      VAL  86  15.192  -2.030   4.582
  695    H    VAL  87           H        VAL  87  12.896  -4.487   2.866
  696    HA   VAL  87           HA       VAL  87  11.994  -2.429   0.979
  697    HB   VAL  87           HB       VAL  87   9.684  -3.435   1.511
  698   1HG1  VAL  87          1HG1      VAL  87  11.872  -4.715  -0.067
  699   2HG1  VAL  87          2HG1      VAL  87  10.287  -5.489   0.014
  700   3HG1  VAL  87          3HG1      VAL  87  10.440  -3.850  -0.628
  701   1HG2  VAL  87          1HG2      VAL  87  11.463  -5.625   2.585
  702   2HG2  VAL  87          2HG2      VAL  87  10.258  -4.705   3.485
  703   3HG2  VAL  87          3HG2      VAL  87   9.750  -5.810   2.208
  704    H    PHE  88           H        PHE  88  11.023  -0.607   1.630
  705    HA   PHE  88           HA       PHE  88  10.648  -0.260   4.533
  706   1HB   PHE  88          2HB       PHE  88  12.556   0.962   3.159
  707   2HB   PHE  88          3HB       PHE  88  11.247   2.062   2.749
  708    HD1  PHE  88           HD1      PHE  88  11.909   0.300   5.983
  709    HD2  PHE  88           HD2      PHE  88  11.770   4.016   3.902
  710    HE1  PHE  88           HE1      PHE  88  12.216   1.493   8.093
  711    HE2  PHE  88           HE2      PHE  88  12.075   5.202   6.007
  712    HZ   PHE  88           HZ       PHE  88  12.299   3.947   8.112
  713    H    CYS  89           H        CYS  89   8.862   0.787   5.260
  714    HA   CYS  89           HA       CYS  89   7.121   2.370   3.728
  715   1HB   CYS  89          2HB       CYS  89   6.539   0.190   2.673
  716   2HB   CYS  89          3HB       CYS  89   6.061  -0.420   4.253
  717    H    LYS  90           H        LYS  90   6.275  -0.149   6.076
  718    HA   LYS  90           HA       LYS  90   6.527   1.428   8.383
  719   1HB   LYS  90          2HB       LYS  90   4.190   2.015   6.922
  720   2HB   LYS  90          3HB       LYS  90   3.668   1.001   8.261
  721   1HG   LYS  90          2HG       LYS  90   5.500   2.970   9.226
  722   2HG   LYS  90          3HG       LYS  90   4.237   3.754   8.276
  723   1HD   LYS  90          2HD       LYS  90   2.728   3.436   9.882
  724   2HD   LYS  90          3HD       LYS  90   3.132   1.722  10.008
  725   1HE   LYS  90          2HE       LYS  90   4.951   2.211  11.507
  726   2HE   LYS  90          3HE       LYS  90   4.722   3.945  11.284
  727   1HZ   LYS  90          HZ1       LYS  90   2.578   2.225  12.374
  728   2HZ   LYS  90          HZ2       LYS  90   3.772   2.892  13.374
  729   3HZ   LYS  90          HZ3       LYS  90   2.740   3.908  12.486
  730    H    THR  91           H        THR  91   4.874   0.307  10.133
  731    HA   THR  91           HA       THR  91   5.745  -2.406  10.294
  732    HB   THR  91           HB       THR  91   3.810  -2.085  12.235
  733    HG1  THR  91           HG1      THR  91   3.568  -0.013  12.649
  734   1HG2  THR  91          1HG2      THR  91   6.177  -2.865  12.461
  735   2HG2  THR  91          2HG2      THR  91   6.675  -1.173  12.470
  736   3HG2  THR  91          3HG2      THR  91   5.639  -1.794  13.755
  737    H    ALA  92           H        ALA  92   4.567  -2.800   8.091
  738    HA   ALA  92           HA       ALA  92   2.004  -4.066   8.664
  739   1HB   ALA  92          1HB       ALA  92   1.844  -1.554   7.907
  740   2HB   ALA  92          2HB       ALA  92   2.077  -2.260   6.308
  741   3HB   ALA  92          3HB       ALA  92   0.712  -2.765   7.304
  742    H    ALA  93           H        ALA  93   1.101  -4.977   6.514
  743    HA   ALA  93           HA       ALA  93   3.021  -6.846   5.545
  744   1HB   ALA  93          1HB       ALA  93   0.115  -6.373   5.000
  745   2HB   ALA  93          2HB       ALA  93   1.042  -7.545   4.064
  746   3HB   ALA  93          3HB       ALA  93   0.890  -7.736   5.810
  747    H    ARG  94           H        ARG  94   1.781  -3.849   4.367
  748    HA   ARG  94           HA       ARG  94   1.774  -3.976   1.693
  749   1HB   ARG  94          2HB       ARG  94   1.307  -1.940   2.970
  750   2HB   ARG  94          3HB       ARG  94   3.022  -1.739   3.289
  751   1HG   ARG  94          2HG       ARG  94   3.448  -0.908   1.235
  752   2HG   ARG  94          3HG       ARG  94   2.256  -1.948   0.451
  753   1HD   ARG  94          2HD       ARG  94   0.711  -0.350   0.507
  754   2HD   ARG  94          3HD       ARG  94   0.988  -0.057   2.222
  755    HE   ARG  94           HE       ARG  94   3.082   1.106   0.751
  756   1HH1  ARG  94          1HH1      ARG  94  -0.329   1.545   1.393
  757   2HH1  ARG  94          2HH1      ARG  94  -0.301   3.262   1.082
  758   1HH2  ARG  94          1HH2      ARG  94   3.104   3.361   0.346
  759   2HH2  ARG  94          2HH2      ARG  94   1.634   4.289   0.517
  760    H    ALA  95           H        ALA  95   4.784  -3.371   3.532
  761    HA   ALA  95           HA       ALA  95   6.435  -3.282   1.231
  762   1HB   ALA  95          1HB       ALA  95   6.838  -3.302   4.151
  763   2HB   ALA  95          2HB       ALA  95   8.192  -3.880   3.181
  764   3HB   ALA  95          3HB       ALA  95   7.543  -2.262   2.912
  765    H    ALA  96           H        ALA  96   5.364  -5.857   3.304
  766    HA   ALA  96           HA       ALA  96   7.228  -7.832   2.684
  767   1HB   ALA  96          1HB       ALA  96   5.135  -7.687   4.368
  768   2HB   ALA  96          2HB       ALA  96   4.465  -8.741   3.122
  769   3HB   ALA  96          3HB       ALA  96   5.958  -9.189   3.948
  770    H    LEU  97           H        LEU  97   4.473  -6.691   0.854
  771    HA   LEU  97           HA       LEU  97   4.171  -8.966  -0.801
  772   1HB   LEU  97          2HB       LEU  97   3.208  -6.194  -0.836
  773   2HB   LEU  97          3HB       LEU  97   3.404  -6.902  -2.436
  774    HG   LEU  97           HG       LEU  97   1.108  -7.096  -1.332
  775   1HD1  LEU  97          1HD1      LEU  97   2.571  -9.507  -2.389
  776   2HD1  LEU  97          2HD1      LEU  97   0.820  -9.420  -2.188
  777   3HD1  LEU  97          3HD1      LEU  97   1.635  -8.330  -3.310
  778   1HD2  LEU  97          1HD2      LEU  97   2.689  -8.360   0.672
  779   2HD2  LEU  97          2HD2      LEU  97   0.951  -8.060   0.657
  780   3HD2  LEU  97          3HD2      LEU  97   1.593  -9.555  -0.022
  781    H    ALA  98           H        ALA  98   6.202  -6.103  -1.051
  782    HA   ALA  98           HA       ALA  98   7.224  -6.805  -3.637
  783   1HB   ALA  98          1HB       ALA  98   7.747  -4.689  -1.632
  784   2HB   ALA  98          2HB       ALA  98   9.054  -5.073  -2.751
  785   3HB   ALA  98          3HB       ALA  98   7.483  -4.566  -3.372
  786    H    GLY  99           H        GLY  99   8.430  -7.002  -0.307
  787   1HA   GLY  99          1HA       GLY  99  10.956  -8.049  -0.949
  788   2HA   GLY  99          2HA       GLY  99  10.175  -8.161   0.617
  789    H    LYS 100           H        LYS 100   8.130  -9.784   0.340
  790    HA   LYS 100           HA       LYS 100   9.351 -12.282   0.317
  791   1HB   LYS 100          2HB       LYS 100   7.437 -13.009   1.250
  792   2HB   LYS 100          3HB       LYS 100   6.992 -11.310   1.263
  793   1HG   LYS 100          2HG       LYS 100   5.180 -11.877   0.125
  794   2HG   LYS 100          3HG       LYS 100   6.227 -12.210  -1.255
  795   1HD   LYS 100          2HD       LYS 100   5.140 -14.222  -1.067
  796   2HD   LYS 100          3HD       LYS 100   6.542 -14.524  -0.041
  797   1HE   LYS 100          2HE       LYS 100   5.043 -13.645   1.869
  798   2HE   LYS 100          3HE       LYS 100   3.712 -13.932   0.750
  799   1HZ   LYS 100          HZ1       LYS 100   4.682 -16.257   0.533
  800   2HZ   LYS 100          HZ2       LYS 100   5.583 -15.900   1.929
  801   3HZ   LYS 100          HZ3       LYS 100   3.883 -15.885   1.981
  802    H    THR 101           H        THR 101   7.639 -10.602  -2.223
  803    HA   THR 101           HA       THR 101   7.479 -12.858  -3.971
  804    HB   THR 101           HB       THR 101   7.313  -9.915  -4.641
  805    HG1  THR 101           HG1      THR 101   5.510 -10.092  -3.547
  806   1HG2  THR 101          1HG2      THR 101   7.682 -11.724  -6.484
  807   2HG2  THR 101          2HG2      THR 101   5.991 -12.118  -6.172
  808   3HG2  THR 101          3HG2      THR 101   6.437 -10.494  -6.701
  809    H    LEU 102           H        LEU 102   9.754 -10.195  -3.500
  810    HA   LEU 102           HA       LEU 102  11.367 -10.690  -5.758
  811   1HB   LEU 102          2HB       LEU 102  11.645  -9.177  -3.227
  812   2HB   LEU 102          3HB       LEU 102  13.129  -9.587  -4.066
  813    HG   LEU 102           HG       LEU 102  10.825  -8.042  -5.257
  814   1HD1  LEU 102          1HD1      LEU 102  13.537  -7.143  -4.298
  815   2HD1  LEU 102          2HD1      LEU 102  12.387  -6.142  -5.183
  816   3HD1  LEU 102          3HD1      LEU 102  11.979  -6.741  -3.576
  817   1HD2  LEU 102          1HD2      LEU 102  13.165  -9.345  -6.401
  818   2HD2  LEU 102          2HD2      LEU 102  11.716  -8.718  -7.187
  819   3HD2  LEU 102          3HD2      LEU 102  13.052  -7.631  -6.804
  820    H    ARG 103           H        ARG 103  11.629 -11.828  -2.390
  821    HA   ARG 103           HA       ARG 103  14.038 -13.273  -2.779
  822   1HB   ARG 103          2HB       ARG 103  13.534 -14.382  -0.670
  823   2HB   ARG 103          3HB       ARG 103  13.217 -12.658  -0.543
  824   1HG   ARG 103          2HG       ARG 103  11.220 -13.170   0.261
  825   2HG   ARG 103          3HG       ARG 103  10.797 -13.778  -1.336
  826   1HD   ARG 103          2HD       ARG 103  10.376 -15.654  -0.172
  827   2HD   ARG 103          3HD       ARG 103  12.104 -15.904  -0.404
  828    HE   ARG 103           HE       ARG 103  10.776 -15.006   2.063
  829   1HH1  ARG 103          1HH1      ARG 103  13.625 -16.237   0.411
  830   2HH1  ARG 103          2HH1      ARG 103  14.548 -16.396   1.868
  831   1HH2  ARG 103          1HH2      ARG 103  12.015 -15.175   3.963
  832   2HH2  ARG 103          2HH2      ARG 103  13.655 -15.767   3.886
  833    H    GLU 104           H        GLU 104  10.725 -13.961  -3.456
  834    HA   GLU 104           HA       GLU 104  10.963 -16.784  -3.762
  835   1HB   GLU 104          2HB       GLU 104   8.888 -14.843  -3.872
  836   2HB   GLU 104          3HB       GLU 104   8.852 -15.753  -5.376
  837   1HG   GLU 104          2HG       GLU 104   9.168 -17.431  -3.014
  838   2HG   GLU 104          3HG       GLU 104   7.674 -16.494  -3.027
  839    H    TYR 105           H        TYR 105  12.247 -14.296  -5.533
  840    HA   TYR 105           HA       TYR 105  12.190 -15.866  -8.018
  841   1HB   TYR 105          HB2       TYR 105  12.901 -12.952  -7.613
  842   2HB   TYR 105          HB3       TYR 105  12.972 -13.808  -9.153
  843    HD1  TYR 105           HD1      TYR 105  10.487 -15.479  -8.837
  844    HD2  TYR 105           HD2      TYR 105  11.219 -11.351  -8.099
  845    HE1  TYR 105           HE1      TYR 105   8.101 -14.999  -9.197
  846    HE2  TYR 105           HE2      TYR 105   8.836 -10.863  -8.462
  847    HH   TYR 105           HH       TYR 105   6.483 -13.105  -8.352
  848    H    GLY 106           H        GLY 106  14.002 -15.336  -5.322
  849   1HA   GLY 106          1HA       GLY 106  15.944 -16.691  -5.039
  850   2HA   GLY 106          2HA       GLY 106  16.354 -16.400  -6.721
  851    H    PHE 107           H        PHE 107  15.418 -13.909  -4.416
  852    HA   PHE 107           HA       PHE 107  17.857 -12.483  -4.960
  853   1HB   PHE 107          2HB       PHE 107  15.293 -11.897  -3.628
  854   2HB   PHE 107          3HB       PHE 107  16.693 -11.074  -2.943
  855    HD1  PHE 107           HD1      PHE 107  15.326 -11.871  -6.329
  856    HD2  PHE 107           HD2      PHE 107  17.142  -8.988  -3.776
  857    HE1  PHE 107           HE1      PHE 107  15.238 -10.211  -8.144
  858    HE2  PHE 107           HE2      PHE 107  17.054  -7.323  -5.586
  859    HZ   PHE 107           HZ       PHE 107  16.104  -7.935  -7.774
  860    H    LYS 108           H        LYS 108  19.552 -12.183  -3.665
  861    HA   LYS 108           HA       LYS 108  20.374 -14.263  -2.088
  862   1HB   LYS 108          2HB       LYS 108  21.418 -11.736  -2.935
  863   2HB   LYS 108          3HB       LYS 108  21.853 -12.002  -1.253
  864   1HG   LYS 108          2HG       LYS 108  22.452 -14.415  -2.309
  865   2HG   LYS 108          3HG       LYS 108  22.775 -13.358  -3.685
  866   1HD   LYS 108          2HD       LYS 108  23.881 -12.042  -1.486
  867   2HD   LYS 108          3HD       LYS 108  24.299 -13.741  -1.259
  868   1HE   LYS 108          2HE       LYS 108  25.856 -13.612  -2.836
  869   2HE   LYS 108          3HE       LYS 108  24.675 -13.022  -4.003
  870   1HZ   LYS 108          HZ1       LYS 108  25.981 -11.253  -2.010
  871   2HZ   LYS 108          HZ2       LYS 108  26.621 -11.521  -3.556
  872   3HZ   LYS 108          HZ3       LYS 108  25.093 -10.801  -3.384
  873    H    THR 109           H        THR 109  19.651 -11.008  -0.815
  874    HA   THR 109           HA       THR 109  18.716 -12.264   1.664
  875    HB   THR 109           HB       THR 109  20.312  -9.822   2.093
  876    HG1  THR 109           HG1      THR 109  21.432 -12.249   1.135
  877   1HG2  THR 109          1HG2      THR 109  19.892 -12.474   3.435
  878   2HG2  THR 109          2HG2      THR 109  21.195 -11.400   3.935
  879   3HG2  THR 109          3HG2      THR 109  19.520 -10.858   4.036
  880    H    ILE 110           H        ILE 110  16.748 -11.502   2.126
  881    HA   ILE 110           HA       ILE 110  16.125  -8.763   1.264
  882    HB   ILE 110           HB       ILE 110  15.046 -10.674  -0.018
  883   1HG1  ILE 110          2HG1      ILE 110  12.702  -9.252   0.816
  884   2HG1  ILE 110          3HG1      ILE 110  14.078  -8.151   0.776
  885   1HG2  ILE 110          1HG2      ILE 110  13.613 -10.987   2.595
  886   2HG2  ILE 110          2HG2      ILE 110  12.884 -11.473   1.065
  887   3HG2  ILE 110          3HG2      ILE 110  14.389 -12.219   1.600
  888   1HD1  ILE 110          1HD1      ILE 110  13.831  -9.951  -1.533
  889   2HD1  ILE 110          2HD1      ILE 110  12.556  -8.744  -1.358
  890   3HD1  ILE 110          3HD1      ILE 110  14.242  -8.236  -1.460
  891    H    TYR 111           H        TYR 111  15.469  -7.373   2.763
  892    HA   TYR 111           HA       TYR 111  14.714  -8.446   5.405
  893   1HB   TYR 111          HB2       TYR 111  15.884  -5.702   4.981
  894   2HB   TYR 111          HB3       TYR 111  15.822  -6.648   6.459
  895    HD1  TYR 111           HD1      TYR 111  17.427  -6.582   3.089
  896    HD2  TYR 111           HD2      TYR 111  17.702  -7.830   7.153
  897    HE1  TYR 111           HE1      TYR 111  19.752  -7.289   2.709
  898    HE2  TYR 111           HE2      TYR 111  20.027  -8.539   6.783
  899    HH   TYR 111           HH       TYR 111  21.807  -7.660   4.032
  900    H    ASN 112           H        ASN 112  13.035  -7.453   6.524
  901    HA   ASN 112           HA       ASN 112  11.555  -5.370   5.055
  902   1HB   ASN 112          2HB       ASN 112  10.379  -7.647   5.277
  903   2HB   ASN 112          3HB       ASN 112  10.263  -7.290   6.996
  904   1HD2  ASN 112          1HD2      ASN 112   7.993  -7.721   5.646
  905   2HD2  ASN 112          2HD2      ASN 112   7.114  -6.245   5.444
  906    H    SER 113           H        SER 113  10.891  -3.603   6.281
  907    HA   SER 113           HA       SER 113  12.438  -3.313   8.723
  908   1HB   SER 113          2HB       SER 113  11.564  -1.564   6.565
  909   2HB   SER 113          3HB       SER 113  11.342  -0.836   8.157
  910    HG   SER 113           HG       SER 113  13.751  -2.136   7.776
  911    H    GLU 114           H        GLU 114  11.535  -3.623  10.619
  912    HA   GLU 114           HA       GLU 114   8.692  -3.624  11.025
  913   1HB   GLU 114          2HB       GLU 114  11.089  -4.138  12.725
  914   2HB   GLU 114          3HB       GLU 114   9.556  -3.812  13.520
  915   1HG   GLU 114          2HG       GLU 114   9.574  -5.835  11.359
  916   2HG   GLU 114          3HG       GLU 114  10.348  -6.256  12.884
  917    H    GLY 115           H        GLY 115   9.726  -1.072  10.188
  918   1HA   GLY 115          1HA       GLY 115   8.729   0.538  12.440
  919   2HA   GLY 115          2HA       GLY 115  10.249   0.984  11.678
  920    H    GLY 116           H        GLY 116  10.185   1.508   9.367
  921   1HA   GLY 116          1HA       GLY 116   8.783   1.989   7.425
  922   2HA   GLY 116          2HA       GLY 116   7.537   2.520   8.546
  923    H    MET 117           H        MET 117   7.935   4.269   6.715
  924    HA   MET 117           HA       MET 117  10.088   6.001   6.755
  925   1HB   MET 117          2HB       MET 117   7.836   5.908   5.326
  926   2HB   MET 117          3HB       MET 117   7.383   7.199   6.431
  927   1HG   MET 117          2HG       MET 117   8.331   8.060   4.360
  928   2HG   MET 117          3HG       MET 117   9.313   8.492   5.759
  929   1HE   MET 117          1HE       MET 117   8.664   6.046   3.021
  930   2HE   MET 117          2HE       MET 117   9.760   7.040   2.059
  931   3HE   MET 117          3HE       MET 117  10.235   5.409   2.530
  932    H    ASP 118           H        ASP 118   7.263   5.957   8.834
  933    HA   ASP 118           HA       ASP 118   7.615   8.379  10.175
  934   1HB   ASP 118          2HB       ASP 118   5.564   7.218  10.474
  935   2HB   ASP 118          3HB       ASP 118   6.382   5.747  10.985
  936    H    LYS 119           H        LYS 119   8.955   5.165  10.784
  937    HA   LYS 119           HA       LYS 119  10.315   5.898  13.175
  938   1HB   LYS 119          2HB       LYS 119   9.963   3.516  11.522
  939   2HB   LYS 119          3HB       LYS 119  11.585   3.647  12.194
  940   1HG   LYS 119          2HG       LYS 119  10.298   2.380  13.722
  941   2HG   LYS 119          3HG       LYS 119  10.508   3.976  14.445
  942   1HD   LYS 119          2HD       LYS 119   8.210   4.394  13.121
  943   2HD   LYS 119          3HD       LYS 119   8.065   2.659  13.414
  944   1HE   LYS 119          2HE       LYS 119   7.198   3.292  15.387
  945   2HE   LYS 119          3HE       LYS 119   8.882   3.516  15.850
  946   1HZ   LYS 119          HZ1       LYS 119   7.504   5.757  14.551
  947   2HZ   LYS 119          HZ2       LYS 119   7.101   5.405  16.161
  948   3HZ   LYS 119          HZ3       LYS 119   8.710   5.769  15.751
  949    H    TRP 120           H        TRP 120  11.122   5.835   9.765
  950    HA   TRP 120           HA       TRP 120  13.922   6.029  10.002
  951   1HB   TRP 120          HB2       TRP 120  12.536   5.577   7.901
  952   2HB   TRP 120          HB3       TRP 120  12.298   7.318   7.810
  953    HD1  TRP 120           HD1      TRP 120  14.372   8.800   7.103
  954    HE1  TRP 120           HE1      TRP 120  16.628   8.256   5.992
  955    HE3  TRP 120           HE3      TRP 120  14.345   3.722   7.697
  956    HZ2  TRP 120           HZ2      TRP 120  18.177   5.965   5.423
  957    HZ3  TRP 120           HZ3      TRP 120  16.254   2.427   6.830
  958    HH2  TRP 120           HH2      TRP 120  18.124   3.526   5.713
  959    H    LEU 121           H        LEU 121  11.455   8.595   9.549
  960    HA   LEU 121           HA       LEU 121  13.230  10.751   9.858
  961   1HB   LEU 121          2HB       LEU 121  10.258  10.458  10.223
  962   2HB   LEU 121          3HB       LEU 121  11.074  11.987  10.469
  963    HG   LEU 121           HG       LEU 121  11.478  10.604   7.854
  964   1HD1  LEU 121          1HD1      LEU 121   8.896  11.476   8.907
  965   2HD1  LEU 121          2HD1      LEU 121   9.331  12.206   7.361
  966   3HD1  LEU 121          3HD1      LEU 121   9.274  10.451   7.523
  967   1HD2  LEU 121          1HD2      LEU 121  11.416  13.400   8.918
  968   2HD2  LEU 121          2HD2      LEU 121  12.692  12.575   8.023
  969   3HD2  LEU 121          3HD2      LEU 121  11.223  13.088   7.194
  970    H    GLU 122           H        GLU 122  11.203   8.988  12.177
  971    HA   GLU 122           HA       GLU 122  11.642  10.690  14.370
  972   1HB   GLU 122          2HB       GLU 122   9.808   9.050  14.241
  973   2HB   GLU 122          3HB       GLU 122  10.978   7.744  14.382
  974   1HG   GLU 122          2HG       GLU 122  11.650   8.723  16.591
  975   2HG   GLU 122          3HG       GLU 122  10.266   9.805  16.447
  976    H    GLU 123           H        GLU 123  13.354   7.771  13.306
  977    HA   GLU 123           HA       GLU 123  14.999   7.528  15.584
  978   1HB   GLU 123          2HB       GLU 123  14.520   6.010  13.356
  979   2HB   GLU 123          3HB       GLU 123  16.153   6.586  13.050
  980   1HG   GLU 123          2HG       GLU 123  16.831   4.873  14.281
  981   2HG   GLU 123          3HG       GLU 123  16.267   5.793  15.674
  982    H    GLY 124           H        GLY 124  15.122   9.629  12.876
  983   1HA   GLY 124          1HA       GLY 124  16.454  11.555  12.756
  984   2HA   GLY 124          2HA       GLY 124  17.518  10.868  13.976
  985    H    LEU 125           H        LEU 125  16.598   8.901  11.320
  986    HA   LEU 125           HA       LEU 125  19.317   8.693  10.417
  987   1HB   LEU 125          2HB       LEU 125  16.845   7.577   9.098
  988   2HB   LEU 125          3HB       LEU 125  18.496   7.021   8.905
  989    HG   LEU 125           HG       LEU 125  16.951   6.830  11.494
  990   1HD1  LEU 125          1HD1      LEU 125  16.774   5.248   9.107
  991   2HD1  LEU 125          2HD1      LEU 125  17.393   4.284  10.448
  992   3HD1  LEU 125          3HD1      LEU 125  15.853   5.132  10.606
  993   1HD2  LEU 125          1HD2      LEU 125  19.584   5.685  10.573
  994   2HD2  LEU 125          2HD2      LEU 125  19.312   6.826  11.889
  995   3HD2  LEU 125          3HD2      LEU 125  18.737   5.165  12.030
  996    HA   PRO 126           HA       PRO 126  19.531  11.686   7.176
  997   1HB   PRO 126          2HB       PRO 126  20.190  10.114   4.984
  998   2HB   PRO 126          3HB       PRO 126  21.346  10.740   6.166
  999   1HG   PRO 126          2HG       PRO 126  20.030   8.048   6.035
 1000   2HG   PRO 126          3HG       PRO 126  21.723   8.453   6.402
 1001   1HD   PRO 126          2HD       PRO 126  20.052   7.838   8.369
 1002   2HD   PRO 126          3HD       PRO 126  21.196   9.184   8.569
 1003    H    SER 127           H        SER 127  17.622  12.567   6.548
 1004    HA   SER 127           HA       SER 127  15.843  10.885   4.923
 1005   1HB   SER 127          2HB       SER 127  14.469  13.124   6.065
 1006   2HB   SER 127          3HB       SER 127  14.201  11.406   6.358
 1007    HG   SER 127           HG       SER 127  16.058  11.600   7.865
 1008    H    LEU 128           H        LEU 128  14.793  11.841   3.171
 1009    HA   LEU 128           HA       LEU 128  16.018  14.303   2.147
 1010   1HB   LEU 128          2HB       LEU 128  14.971  11.860   0.947
 1011   2HB   LEU 128          3HB       LEU 128  14.248  13.293   0.247
 1012    HG   LEU 128           HG       LEU 128  17.221  12.816   0.415
 1013   1HD1  LEU 128          1HD1      LEU 128  15.246  11.698  -1.337
 1014   2HD1  LEU 128          2HD1      LEU 128  16.328  12.758  -2.242
 1015   3HD1  LEU 128          3HD1      LEU 128  16.989  11.424  -1.296
 1016   1HD2  LEU 128          1HD2      LEU 128  15.544  14.870  -1.018
 1017   2HD2  LEU 128          2HD2      LEU 128  16.688  15.156   0.294
 1018   3HD2  LEU 128          3HD2      LEU 128  17.270  14.626  -1.283
 1019    H    ASP 129           H        ASP 129  14.918  15.899   3.120
 1020    HA   ASP 129           HA       ASP 129  12.047  16.083   2.642
 1021   1HB   ASP 129          2HB       ASP 129  11.458  15.747   4.781
 1022   2HB   ASP 129          3HB       ASP 129  13.118  15.291   5.131
 1023    H    ARG 130           H        ARG 130  11.255  18.299   2.983
 1024    HA   ARG 130           HA       ARG 130  13.171  20.121   1.900
 1025   1HB   ARG 130          2HB       ARG 130  10.290  19.989   2.161
 1026   2HB   ARG 130          3HB       ARG 130  10.891  21.591   2.553
 1027   1HG   ARG 130          2HG       ARG 130  12.111  20.491   0.154
 1028   2HG   ARG 130          3HG       ARG 130  10.352  20.634   0.037
 1029   1HD   ARG 130          2HD       ARG 130  10.937  22.981   1.183
 1030   2HD   ARG 130          3HD       ARG 130  12.420  22.727   0.262
 1031    HE   ARG 130           HE       ARG 130  10.889  22.432  -1.718
 1032   1HH1  ARG 130          1HH1      ARG 130   9.919  24.326   1.074
 1033   2HH1  ARG 130          2HH1      ARG 130   8.880  25.379   0.158
 1034   1HH2  ARG 130          1HH2      ARG 130   9.520  23.815  -2.919
 1035   2HH2  ARG 130          2HH2      ARG 130   8.643  25.080  -2.100
 1036    H    SER 131           H        SER 131  14.559  19.878   3.869
 1037    HA   SER 131           HA       SER 131  13.836  21.255   6.265
 1038   1HB   SER 131          2HB       SER 131  16.704  21.047   5.682
 1039   2HB   SER 131          3HB       SER 131  15.784  20.412   7.045
 1040    HG   SER 131           HG       SER 131  15.090  18.698   5.669
 1041    H    HIS 132           H        HIS 132  14.865  23.251   7.016
 1042    HA   HIS 132           HA       HIS 132  14.633  25.245   4.980
 1043   1HB   HIS 132          2HB       HIS 132  14.008  25.277   7.568
 1044   2HB   HIS 132          3HB       HIS 132  15.613  25.988   7.687
 1045    HD1  HIS 132           HD1      HIS 132  14.142  28.118   8.512
 1046    HD2  HIS 132           HD2      HIS 132  13.886  27.100   4.487
 1047    HE1  HIS 132           HE1      HIS 132  13.224  30.154   7.350
 1048    HE2  HIS 132           HE2      HIS 132  13.246  29.573   4.896
 1049    H    HIS 133           H        HIS 133  16.577  24.076   3.930
 1050    HA   HIS 133           HA       HIS 133  18.856  25.864   4.395
 1051   1HB   HIS 133          2HB       HIS 133  18.938  23.014   4.621
 1052   2HB   HIS 133          3HB       HIS 133  19.821  23.472   3.168
 1053    HD1  HIS 133           HD1      HIS 133  21.302  25.957   4.019
 1054    HD2  HIS 133           HD2      HIS 133  20.819  22.664   6.518
 1055    HE1  HIS 133           HE1      HIS 133  23.162  26.100   5.697
 1056    HE2  HIS 133           HE2      HIS 133  22.921  24.052   7.133
 1057    H    HIS 134           H        HIS 134  19.852  26.573   2.441
 1058    HA   HIS 134           HA       HIS 134  17.973  26.653   0.296
 1059   1HB   HIS 134          2HB       HIS 134  20.288  28.157   1.095
 1060   2HB   HIS 134          3HB       HIS 134  20.401  27.751  -0.618
 1061    HD1  HIS 134           HD1      HIS 134  19.231  29.313  -2.133
 1062    HD2  HIS 134           HD2      HIS 134  17.587  29.329   1.686
 1063    HE1  HIS 134           HE1      HIS 134  17.392  31.031  -2.191
 1064    HE2  HIS 134           HE2      HIS 134  16.245  30.805   0.043
 1065    H    HIS 135           H        HIS 135  17.718  24.682  -0.556
 1066    HA   HIS 135           HA       HIS 135  19.902  23.676  -2.227
 1067   1HB   HIS 135          2HB       HIS 135  19.524  22.428   0.069
 1068   2HB   HIS 135          3HB       HIS 135  18.146  21.726  -0.772
 1069    HD1  HIS 135           HD1      HIS 135  21.803  21.480  -0.424
 1070    HD2  HIS 135           HD2      HIS 135  18.871  20.109  -3.043
 1071    HE1  HIS 135           HE1      HIS 135  22.887  19.656  -1.767
 1072    HE2  HIS 135           HE2      HIS 135  21.042  18.699  -3.183
 1073    H    HIS 136           H        HIS 136  19.218  23.012  -4.206
 1074    HA   HIS 136           HA       HIS 136  16.336  22.658  -4.628
 1075   1HB   HIS 136          2HB       HIS 136  16.188  24.187  -6.397
 1076   2HB   HIS 136          3HB       HIS 136  17.164  25.038  -5.210
 1077    HD1  HIS 136           HD1      HIS 136  17.039  24.412  -8.695
 1078    HD2  HIS 136           HD2      HIS 136  20.105  24.595  -5.889
 1079    HE1  HIS 136           HE1      HIS 136  19.139  24.829 -10.010
 1080    HE2  HIS 136           HE2      HIS 136  20.941  25.128  -8.277
 1081    H    HIS 137           H        HIS 137  15.887  21.685  -6.798
 1082    HA   HIS 137           HA       HIS 137  18.052  19.827  -7.520
 1083   1HB   HIS 137          2HB       HIS 137  16.039  18.775  -6.492
 1084   2HB   HIS 137          3HB       HIS 137  15.068  19.412  -7.815
 1085    HD1  HIS 137           HD1      HIS 137  15.102  18.156 -10.013
 1086    HD2  HIS 137           HD2      HIS 137  17.818  16.673  -7.231
 1087    HE1  HIS 137           HE1      HIS 137  15.934  15.981 -10.968
 1088    HE2  HIS 137           HE2      HIS 137  17.419  15.008  -9.175
 1089   1H    ALA   1           H1       ALA   1  23.866  -9.890 -12.186
 1090   2H    ALA   1           H2       ALA   1  23.103 -10.664 -10.884
 1091   3H    ALA   1           H3       ALA   1  24.426 -11.397 -11.653
 1092    HA   ALA   1           HA       ALA   1  23.216 -11.786 -13.615
 1093   1HB   ALA   1          1HB       ALA   1  22.696 -13.076 -11.323
 1094   2HB   ALA   1          2HB       ALA   1  21.079 -12.477 -11.691
 1095   3HB   ALA   1          3HB       ALA   1  21.931 -13.489 -12.857
 1096    H    ASP   2           H        ASP   2  22.394 -10.329 -14.986
 1097    HA   ASP   2           HA       ASP   2  20.430  -8.391 -14.170
 1098   1HB   ASP   2          2HB       ASP   2  21.973  -8.955 -16.636
 1099   2HB   ASP   2          3HB       ASP   2  20.440  -8.110 -16.815
 1100    H    MET   3           H        MET   3  18.821  -9.831 -13.432
 1101    HA   MET   3           HA       MET   3  17.485 -11.475 -15.444
 1102   1HB   MET   3          2HB       MET   3  17.807 -11.557 -12.517
 1103   2HB   MET   3          3HB       MET   3  16.209 -12.015 -13.091
 1104   1HG   MET   3          2HG       MET   3  17.051 -13.809 -14.339
 1105   2HG   MET   3          3HG       MET   3  18.705 -13.208 -14.236
 1106   1HE   MET   3          1HE       MET   3  15.678 -14.273 -12.472
 1107   2HE   MET   3          2HE       MET   3  16.221 -15.742 -11.661
 1108   3HE   MET   3          3HE       MET   3  16.172 -14.215 -10.779
 1109    H    GLY   4           H        GLY   4  17.143  -8.606 -15.507
 1110   1HA   GLY   4          1HA       GLY   4  14.835  -7.682 -14.260
 1111   2HA   GLY   4          2HA       GLY   4  15.487  -7.048 -15.762
 1112    H    GLU   5           H        GLU   5  15.162  -9.502 -17.233
 1113    HA   GLU   5           HA       GLU   5  12.427  -9.180 -18.042
 1114   1HB   GLU   5          2HB       GLU   5  14.120 -11.509 -18.887
 1115   2HB   GLU   5          3HB       GLU   5  12.872 -10.669 -19.793
 1116   1HG   GLU   5          2HG       GLU   5  14.296  -9.102 -20.558
 1117   2HG   GLU   5          3HG       GLU   5  15.229  -9.061 -19.062
 1118    H    LYS   6           H        LYS   6  14.200 -11.410 -16.058
 1119    HA   LYS   6           HA       LYS   6  12.304 -13.486 -16.090
 1120   1HB   LYS   6          2HB       LYS   6  14.511 -12.886 -14.121
 1121   2HB   LYS   6          3HB       LYS   6  13.579 -14.377 -14.142
 1122   1HG   LYS   6          2HG       LYS   6  15.431 -13.355 -16.282
 1123   2HG   LYS   6          3HG       LYS   6  15.662 -14.765 -15.246
 1124   1HD   LYS   6          2HD       LYS   6  14.069 -16.013 -16.375
 1125   2HD   LYS   6          3HD       LYS   6  13.256 -14.584 -17.015
 1126   1HE   LYS   6          2HE       LYS   6  14.467 -14.675 -18.879
 1127   2HE   LYS   6          3HE       LYS   6  15.965 -14.657 -17.949
 1128   1HZ   LYS   6          HZ1       LYS   6  15.394 -17.145 -17.580
 1129   2HZ   LYS   6          HZ2       LYS   6  14.440 -16.955 -18.973
 1130   3HZ   LYS   6          HZ3       LYS   6  16.111 -16.655 -19.035
 1131    H    PHE   7           H        PHE   7  13.044 -11.190 -13.409
 1132    HA   PHE   7           HA       PHE   7  10.856 -12.224 -11.932
 1133   1HB   PHE   7          2HB       PHE   7  11.247 -10.182 -10.424
 1134   2HB   PHE   7          3HB       PHE   7  12.501 -11.403 -10.532
 1135    HD1  PHE   7           HD1      PHE   7  11.558  -8.222 -12.274
 1136    HD2  PHE   7           HD2      PHE   7  14.639 -10.639 -10.606
 1137    HE1  PHE   7           HE1      PHE   7  13.200  -6.455 -12.751
 1138    HE2  PHE   7           HE2      PHE   7  16.283  -8.872 -11.073
 1139    HZ   PHE   7           HZ       PHE   7  15.566  -6.775 -12.147
 1140    H    ASP   8           H        ASP   8  11.179  -9.418 -13.996
 1141    HA   ASP   8           HA       ASP   8   8.925  -7.980 -13.277
 1142   1HB   ASP   8          2HB       ASP   8  10.230  -6.854 -14.808
 1143   2HB   ASP   8          3HB       ASP   8  10.457  -8.274 -15.821
 1144    H    ALA   9           H        ALA   9   9.106 -10.432 -15.868
 1145    HA   ALA   9           HA       ALA   9   6.400 -10.484 -16.502
 1146   1HB   ALA   9          1HB       ALA   9   8.416 -11.554 -17.693
 1147   2HB   ALA   9          2HB       ALA   9   8.108 -12.939 -16.645
 1148   3HB   ALA   9          3HB       ALA   9   6.861 -12.383 -17.760
 1149    H    THR  10           H        THR  10   8.196 -12.505 -14.184
 1150    HA   THR  10           HA       THR  10   6.002 -14.119 -13.491
 1151    HB   THR  10           HB       THR  10   8.182 -13.610 -11.505
 1152    HG1  THR  10           HG1      THR  10   9.400 -13.773 -13.353
 1153   1HG2  THR  10          1HG2      THR  10   6.522 -15.944 -12.416
 1154   2HG2  THR  10          2HG2      THR  10   8.012 -16.183 -11.505
 1155   3HG2  THR  10          3HG2      THR  10   6.683 -15.266 -10.796
 1156    H    PHE  11           H        PHE  11   7.267 -11.140 -11.998
 1157    HA   PHE  11           HA       PHE  11   5.739 -11.098  -9.704
 1158   1HB   PHE  11          2HB       PHE  11   7.526  -9.399 -10.776
 1159   2HB   PHE  11          3HB       PHE  11   6.048  -8.504 -11.119
 1160    HD1  PHE  11           HD1      PHE  11   4.378  -8.848  -8.842
 1161    HD2  PHE  11           HD2      PHE  11   8.615  -8.465  -8.995
 1162    HE1  PHE  11           HE1      PHE  11   4.379  -7.968  -6.544
 1163    HE2  PHE  11           HE2      PHE  11   8.623  -7.589  -6.697
 1164    HZ   PHE  11           HZ       PHE  11   6.503  -7.337  -5.471
 1165    H    LYS  12           H        LYS  12   4.889  -9.964 -12.916
 1166    HA   LYS  12           HA       LYS  12   2.298  -9.003 -12.305
 1167   1HB   LYS  12          2HB       LYS  12   3.552  -8.375 -14.333
 1168   2HB   LYS  12          3HB       LYS  12   3.405 -10.022 -14.924
 1169   1HG   LYS  12          2HG       LYS  12   1.808  -8.361 -15.919
 1170   2HG   LYS  12          3HG       LYS  12   1.067  -9.805 -15.227
 1171   1HD   LYS  12          2HD       LYS  12  -0.095  -8.602 -13.747
 1172   2HD   LYS  12          3HD       LYS  12   1.331  -7.678 -13.272
 1173   1HE   LYS  12          2HE       LYS  12  -0.208  -7.143 -15.799
 1174   2HE   LYS  12          3HE       LYS  12  -0.568  -6.348 -14.267
 1175   1HZ   LYS  12          HZ1       LYS  12   1.958  -5.798 -14.334
 1176   2HZ   LYS  12          HZ2       LYS  12   1.782  -6.059 -16.003
 1177   3HZ   LYS  12          HZ3       LYS  12   0.859  -4.863 -15.233
 1178    H    ALA  13           H        ALA  13   3.554 -12.195 -12.796
 1179    HA   ALA  13           HA       ALA  13   1.045 -13.419 -13.486
 1180   1HB   ALA  13          1HB       ALA  13   3.636 -14.618 -12.502
 1181   2HB   ALA  13          2HB       ALA  13   2.244 -15.539 -13.077
 1182   3HB   ALA  13          3HB       ALA  13   3.110 -14.470 -14.180
 1183    H    GLN  14           H        GLN  14   3.055 -13.269 -10.557
 1184    HA   GLN  14           HA       GLN  14   1.188 -14.692  -8.952
 1185   1HB   GLN  14          2HB       GLN  14   3.440 -12.865  -8.096
 1186   2HB   GLN  14          3HB       GLN  14   2.624 -14.047  -7.085
 1187   1HG   GLN  14          2HG       GLN  14   3.411 -15.810  -8.695
 1188   2HG   GLN  14          3HG       GLN  14   4.410 -14.566  -9.441
 1189   1HE2  GLN  14          1HE2      GLN  14   4.599 -17.077  -7.488
 1190   2HE2  GLN  14          2HE2      GLN  14   5.883 -16.585  -6.429
 1191    H    VAL  15           H        VAL  15   2.084 -11.249  -9.079
 1192    HA   VAL  15           HA       VAL  15   0.315 -10.329  -7.168
 1193    HB   VAL  15           HB       VAL  15   2.060  -9.142  -9.076
 1194   1HG1  VAL  15          1HG1      VAL  15  -0.107  -8.546 -10.246
 1195   2HG1  VAL  15          2HG1      VAL  15  -0.477  -7.542  -8.842
 1196   3HG1  VAL  15          3HG1      VAL  15   0.948  -7.196  -9.824
 1197   1HG2  VAL  15          1HG2      VAL  15   2.046  -8.904  -6.589
 1198   2HG2  VAL  15          2HG2      VAL  15   2.189  -7.374  -7.454
 1199   3HG2  VAL  15          3HG2      VAL  15   0.645  -7.846  -6.746
 1200    H    LYS  16           H        LYS  16  -0.318 -11.086 -10.539
 1201    HA   LYS  16           HA       LYS  16  -2.913  -9.900 -10.624
 1202   1HB   LYS  16          2HB       LYS  16  -1.492 -10.474 -12.629
 1203   2HB   LYS  16          3HB       LYS  16  -1.915 -12.159 -12.354
 1204   1HG   LYS  16          2HG       LYS  16  -4.345 -11.365 -12.465
 1205   2HG   LYS  16          3HG       LYS  16  -3.685  -9.892 -13.178
 1206   1HD   LYS  16          2HD       LYS  16  -2.409 -11.877 -14.579
 1207   2HD   LYS  16          3HD       LYS  16  -4.023 -12.546 -14.336
 1208   1HE   LYS  16          2HE       LYS  16  -4.376  -9.850 -15.031
 1209   2HE   LYS  16          3HE       LYS  16  -3.156 -10.486 -16.131
 1210   1HZ   LYS  16          HZ1       LYS  16  -4.775 -12.413 -16.448
 1211   2HZ   LYS  16          HZ2       LYS  16  -5.940 -11.394 -15.746
 1212   3HZ   LYS  16          HZ3       LYS  16  -5.159 -10.931 -17.179
 1213    H    ALA  17           H        ALA  17  -1.669 -13.063  -9.750
 1214    HA   ALA  17           HA       ALA  17  -4.104 -14.471  -9.704
 1215   1HB   ALA  17          1HB       ALA  17  -1.385 -14.910  -8.781
 1216   2HB   ALA  17          2HB       ALA  17  -2.590 -15.627  -7.712
 1217   3HB   ALA  17          3HB       ALA  17  -2.562 -16.054  -9.422
 1218    H    ALA  18           H        ALA  18  -2.701 -12.194  -7.509
 1219    HA   ALA  18           HA       ALA  18  -4.310 -12.838  -5.239
 1220   1HB   ALA  18          1HB       ALA  18  -2.763 -10.356  -5.973
 1221   2HB   ALA  18          2HB       ALA  18  -3.583 -10.590  -4.428
 1222   3HB   ALA  18          3HB       ALA  18  -2.256 -11.656  -4.892
 1223    H    LYS  19           H        LYS  19  -4.633 -10.693  -8.016
 1224    HA   LYS  19           HA       LYS  19  -7.088  -9.482  -7.113
 1225   1HB   LYS  19          2HB       LYS  19  -5.981  -9.559  -9.920
 1226   2HB   LYS  19          3HB       LYS  19  -7.144  -8.419  -9.261
 1227   1HG   LYS  19          2HG       LYS  19  -5.371  -7.553  -7.762
 1228   2HG   LYS  19          3HG       LYS  19  -4.222  -8.626  -8.565
 1229   1HD   LYS  19          2HD       LYS  19  -5.831  -6.437  -9.886
 1230   2HD   LYS  19          3HD       LYS  19  -4.111  -6.369  -9.497
 1231   1HE   LYS  19          2HE       LYS  19  -3.547  -7.542 -11.317
 1232   2HE   LYS  19          3HE       LYS  19  -4.827  -8.723 -11.054
 1233   1HZ   LYS  19          HZ1       LYS  19  -5.781  -6.161 -11.962
 1234   2HZ   LYS  19          HZ2       LYS  19  -4.755  -6.929 -13.067
 1235   3HZ   LYS  19          HZ3       LYS  19  -6.153  -7.711 -12.523
 1236    H    ALA  20           H        ALA  20  -6.104 -12.315  -8.691
 1237    HA   ALA  20           HA       ALA  20  -8.489 -12.847 -10.186
 1238   1HB   ALA  20          1HB       ALA  20  -5.993 -13.846 -10.312
 1239   2HB   ALA  20          2HB       ALA  20  -6.802 -15.141  -9.428
 1240   3HB   ALA  20          3HB       ALA  20  -7.405 -14.641 -11.009
 1241    H    ASP  21           H        ASP  21  -7.595 -13.211  -6.917
 1242    HA   ASP  21           HA       ASP  21  -9.376 -15.381  -6.319
 1243   1HB   ASP  21          2HB       ASP  21  -7.216 -14.155  -5.040
 1244   2HB   ASP  21          3HB       ASP  21  -8.604 -13.800  -4.017
 1245    H    MET  22           H        MET  22  -9.928 -12.171  -6.980
 1246    HA   MET  22           HA       MET  22 -12.373 -12.158  -5.340
 1247   1HB   MET  22          2HB       MET  22 -10.286 -10.140  -5.728
 1248   2HB   MET  22          3HB       MET  22 -11.910  -9.525  -5.994
 1249   1HG   MET  22          2HG       MET  22 -11.419  -9.127  -3.738
 1250   2HG   MET  22          3HG       MET  22 -12.524 -10.498  -3.765
 1251   1HE   MET  22          1HE       MET  22  -8.989 -10.222  -4.790
 1252   2HE   MET  22          2HE       MET  22  -8.371  -9.815  -3.189
 1253   3HE   MET  22          3HE       MET  22  -8.118 -11.432  -3.848
 1254    H    VAL  23           H        VAL  23 -13.950 -10.449  -6.319
 1255    HA   VAL  23           HA       VAL  23 -14.310 -11.073  -9.154
 1256    HB   VAL  23           HB       VAL  23 -16.124  -9.459  -7.345
 1257   1HG1  VAL  23          1HG1      VAL  23 -16.118  -9.603 -10.069
 1258   2HG1  VAL  23          2HG1      VAL  23 -17.251 -10.885  -9.637
 1259   3HG1  VAL  23          3HG1      VAL  23 -17.529  -9.236  -9.075
 1260   1HG2  VAL  23          1HG2      VAL  23 -15.750 -12.353  -7.603
 1261   2HG2  VAL  23          2HG2      VAL  23 -16.516 -11.416  -6.320
 1262   3HG2  VAL  23          3HG2      VAL  23 -17.420 -11.819  -7.778
 1263    H    MET  24           H        MET  24 -13.030  -9.814 -10.394
 1264    HA   MET  24           HA       MET  24 -12.204  -7.217  -9.558
 1265   1HB   MET  24          2HB       MET  24 -11.859  -8.728 -12.146
 1266   2HB   MET  24          3HB       MET  24 -11.163  -7.138 -11.861
 1267   1HG   MET  24          2HG       MET  24 -10.473  -8.791  -9.669
 1268   2HG   MET  24          3HG       MET  24 -10.137  -9.683 -11.152
 1269   1HE   MET  24          1HE       MET  24  -9.968  -6.518  -9.307
 1270   2HE   MET  24          2HE       MET  24  -8.245  -6.592  -8.938
 1271   3HE   MET  24          3HE       MET  24  -8.834  -5.493 -10.187
 1272    H    LEU  25           H        LEU  25 -13.493  -5.527  -9.572
 1273    HA   LEU  25           HA       LEU  25 -15.336  -5.193 -11.842
 1274   1HB   LEU  25          2HB       LEU  25 -15.744  -4.980  -8.915
 1275   2HB   LEU  25          3HB       LEU  25 -16.538  -3.769  -9.902
 1276    HG   LEU  25           HG       LEU  25 -17.014  -6.723  -9.800
 1277   1HD1  LEU  25          1HD1      LEU  25 -18.823  -4.314  -9.805
 1278   2HD1  LEU  25          2HD1      LEU  25 -19.343  -5.994  -9.668
 1279   3HD1  LEU  25          3HD1      LEU  25 -18.362  -5.268  -8.396
 1280   1HD2  LEU  25          1HD2      LEU  25 -16.950  -5.140 -12.199
 1281   2HD2  LEU  25          2HD2      LEU  25 -17.272  -6.864 -12.000
 1282   3HD2  LEU  25          3HD2      LEU  25 -18.590  -5.698 -11.867
 1283    H    SER  26           H        SER  26 -15.596  -3.187 -12.677
 1284    HA   SER  26           HA       SER  26 -13.494  -1.262 -12.206
 1285   1HB   SER  26          2HB       SER  26 -15.771  -0.521 -13.942
 1286   2HB   SER  26          3HB       SER  26 -14.038  -0.451 -14.266
 1287    HG   SER  26           HG       SER  26 -15.855  -2.542 -14.663
 1288    HA   PRO  27           HA       PRO  27 -15.358   1.218  -9.112
 1289   1HB   PRO  27          2HB       PRO  27 -14.956   3.745 -10.279
 1290   2HB   PRO  27          3HB       PRO  27 -13.858   2.899  -9.188
 1291   1HG   PRO  27          2HG       PRO  27 -13.842   3.033 -12.169
 1292   2HG   PRO  27          3HG       PRO  27 -12.478   3.010 -11.035
 1293   1HD   PRO  27          2HD       PRO  27 -13.104   0.827 -12.402
 1294   2HD   PRO  27          3HD       PRO  27 -12.653   0.702 -10.691
 1295    H    LYS  28           H        LYS  28 -16.482   1.585 -12.413
 1296    HA   LYS  28           HA       LYS  28 -18.773   3.186 -11.738
 1297   1HB   LYS  28          2HB       LYS  28 -17.883   1.694 -14.190
 1298   2HB   LYS  28          3HB       LYS  28 -19.512   2.341 -14.074
 1299   1HG   LYS  28          2HG       LYS  28 -17.432   4.272 -13.392
 1300   2HG   LYS  28          3HG       LYS  28 -17.347   3.671 -15.051
 1301   1HD   LYS  28          2HD       LYS  28 -19.945   4.112 -14.982
 1302   2HD   LYS  28          3HD       LYS  28 -19.490   5.239 -13.702
 1303   1HE   LYS  28          2HE       LYS  28 -19.609   6.276 -15.955
 1304   2HE   LYS  28          3HE       LYS  28 -18.035   6.432 -15.181
 1305   1HZ   LYS  28          HZ1       LYS  28 -18.365   4.109 -16.895
 1306   2HZ   LYS  28          HZ2       LYS  28 -18.373   5.606 -17.688
 1307   3HZ   LYS  28          HZ3       LYS  28 -17.046   5.166 -16.728
 1308    H    ASP  29           H        ASP  29 -18.151  -0.217 -12.495
 1309    HA   ASP  29           HA       ASP  29 -20.830  -1.104 -12.106
 1310   1HB   ASP  29          2HB       ASP  29 -18.477  -2.222 -13.078
 1311   2HB   ASP  29          3HB       ASP  29 -18.785  -3.124 -11.595
 1312    H    ALA  30           H        ALA  30 -18.055  -0.686 -10.072
 1313    HA   ALA  30           HA       ALA  30 -19.039  -2.151  -7.834
 1314   1HB   ALA  30          1HB       ALA  30 -16.625  -1.550  -8.265
 1315   2HB   ALA  30          2HB       ALA  30 -17.023   0.074  -7.704
 1316   3HB   ALA  30          3HB       ALA  30 -17.206  -1.304  -6.617
 1317    H    TYR  31           H        TYR  31 -18.966   1.317  -8.637
 1318    HA   TYR  31           HA       TYR  31 -20.320   2.146  -6.289
 1319   1HB   TYR  31          HB2       TYR  31 -18.984   3.720  -7.542
 1320   2HB   TYR  31          HB3       TYR  31 -19.972   3.486  -8.975
 1321    HD1  TYR  31           HD1      TYR  31 -20.130   4.699  -5.471
 1322    HD2  TYR  31           HD2      TYR  31 -21.804   4.896  -9.373
 1323    HE1  TYR  31           HE1      TYR  31 -21.551   6.566  -4.754
 1324    HE2  TYR  31           HE2      TYR  31 -23.241   6.765  -8.669
 1325    HH   TYR  31           HH       TYR  31 -23.019   8.629  -6.739
 1326    H    LYS  32           H        LYS  32 -21.374   0.959  -9.391
 1327    HA   LYS  32           HA       LYS  32 -24.029   1.828  -9.402
 1328   1HB   LYS  32          2HB       LYS  32 -23.273   0.876 -11.400
 1329   2HB   LYS  32          3HB       LYS  32 -22.611  -0.536 -10.590
 1330   1HG   LYS  32          2HG       LYS  32 -25.353  -0.614 -10.076
 1331   2HG   LYS  32          3HG       LYS  32 -25.202  -0.149 -11.772
 1332   1HD   LYS  32          2HD       LYS  32 -23.318  -2.216 -11.223
 1333   2HD   LYS  32          3HD       LYS  32 -24.898  -2.720 -10.619
 1334   1HE   LYS  32          2HE       LYS  32 -25.131  -3.418 -12.761
 1335   2HE   LYS  32          3HE       LYS  32 -25.655  -1.750 -12.981
 1336   1HZ   LYS  32          HZ1       LYS  32 -22.829  -2.573 -13.342
 1337   2HZ   LYS  32          HZ2       LYS  32 -23.961  -2.642 -14.608
 1338   3HZ   LYS  32          HZ3       LYS  32 -23.594  -1.154 -13.883
 1339    H    LEU  33           H        LEU  33 -22.701  -1.269  -8.182
 1340    HA   LEU  33           HA       LEU  33 -25.217  -2.010  -7.026
 1341   1HB   LEU  33          2HB       LEU  33 -23.602  -3.683  -5.771
 1342   2HB   LEU  33          3HB       LEU  33 -24.090  -3.929  -7.433
 1343    HG   LEU  33           HG       LEU  33 -21.796  -2.451  -7.722
 1344   1HD1  LEU  33          1HD1      LEU  33 -21.636  -2.986  -5.124
 1345   2HD1  LEU  33          2HD1      LEU  33 -20.973  -4.499  -5.741
 1346   3HD1  LEU  33          3HD1      LEU  33 -20.213  -2.964  -6.168
 1347   1HD2  LEU  33          1HD2      LEU  33 -22.137  -5.447  -7.629
 1348   2HD2  LEU  33          2HD2      LEU  33 -22.405  -4.401  -9.022
 1349   3HD2  LEU  33          3HD2      LEU  33 -20.779  -4.603  -8.371
 1350    H    LEU  34           H        LEU  34 -22.440  -0.254  -5.969
 1351    HA   LEU  34           HA       LEU  34 -22.766  -0.446  -3.176
 1352   1HB   LEU  34          2HB       LEU  34 -21.214   1.123  -5.052
 1353   2HB   LEU  34          3HB       LEU  34 -21.757   2.102  -3.703
 1354    HG   LEU  34           HG       LEU  34 -20.534  -0.514  -3.038
 1355   1HD1  LEU  34          1HD1      LEU  34 -19.131   0.475  -4.886
 1356   2HD1  LEU  34          2HD1      LEU  34 -18.816   1.833  -3.805
 1357   3HD1  LEU  34          3HD1      LEU  34 -18.303   0.208  -3.351
 1358   1HD2  LEU  34          1HD2      LEU  34 -21.117   2.029  -1.801
 1359   2HD2  LEU  34          2HD2      LEU  34 -20.727   0.477  -1.058
 1360   3HD2  LEU  34          3HD2      LEU  34 -19.432   1.566  -1.558
 1361    H    GLN  35           H        GLN  35 -23.995   1.901  -5.543
 1362    HA   GLN  35           HA       GLN  35 -25.318   3.445  -3.541
 1363   1HB   GLN  35          2HB       GLN  35 -25.951   4.900  -5.237
 1364   2HB   GLN  35          3HB       GLN  35 -24.445   4.226  -5.834
 1365   1HG   GLN  35          2HG       GLN  35 -25.475   3.049  -7.506
 1366   2HG   GLN  35          3HG       GLN  35 -27.008   2.946  -6.641
 1367   1HE2  GLN  35          1HE2      GLN  35 -28.567   4.341  -7.147
 1368   2HE2  GLN  35          2HE2      GLN  35 -28.367   5.738  -8.158
 1369    H    GLU  36           H        GLU  36 -26.261   0.715  -5.510
 1370    HA   GLU  36           HA       GLU  36 -29.071   1.157  -5.088
 1371   1HB   GLU  36          2HB       GLU  36 -27.481  -1.092  -6.313
 1372   2HB   GLU  36          3HB       GLU  36 -29.233  -1.139  -6.155
 1373   1HG   GLU  36          2HG       GLU  36 -27.917   1.170  -7.514
 1374   2HG   GLU  36          3HG       GLU  36 -28.145  -0.353  -8.373
 1375    H    ASN  37           H        ASN  37 -26.497  -0.659  -3.625
 1376    HA   ASN  37           HA       ASN  37 -28.410  -1.729  -1.653
 1377   1HB   ASN  37          2HB       ASN  37 -25.851  -3.088  -2.524
 1378   2HB   ASN  37          3HB       ASN  37 -27.077  -3.730  -1.446
 1379   1HD2  ASN  37          1HD2      ASN  37 -26.223  -3.041  -4.721
 1380   2HD2  ASN  37          2HD2      ASN  37 -27.495  -3.953  -5.470
 1381    HA   PRO  38           HA       PRO  38 -25.603   0.963   0.730
 1382   1HB   PRO  38          2HB       PRO  38 -27.710   0.643   2.765
 1383   2HB   PRO  38          3HB       PRO  38 -27.058   2.118   2.046
 1384   1HG   PRO  38          2HG       PRO  38 -29.524   1.242   1.457
 1385   2HG   PRO  38          3HG       PRO  38 -28.504   2.041   0.245
 1386   1HD   PRO  38          2HD       PRO  38 -29.061  -0.880   0.627
 1387   2HD   PRO  38          3HD       PRO  38 -28.973   0.064  -0.877
 1388    H    ASP  39           H        ASP  39 -26.362  -2.226   0.971
 1389    HA   ASP  39           HA       ASP  39 -25.168  -2.678   3.591
 1390   1HB   ASP  39          2HB       ASP  39 -26.558  -4.418   1.577
 1391   2HB   ASP  39          3HB       ASP  39 -25.497  -5.155   2.772
 1392    H    ILE  40           H        ILE  40 -24.408  -2.523   0.280
 1393    HA   ILE  40           HA       ILE  40 -21.988  -4.078   0.447
 1394    HB   ILE  40           HB       ILE  40 -22.940  -2.226  -1.744
 1395   1HG1  ILE  40          2HG1      ILE  40 -23.136  -5.227  -1.407
 1396   2HG1  ILE  40          3HG1      ILE  40 -24.473  -4.083  -1.437
 1397   1HG2  ILE  40          1HG2      ILE  40 -20.411  -3.428  -1.301
 1398   2HG2  ILE  40          2HG2      ILE  40 -21.170  -4.257  -2.660
 1399   3HG2  ILE  40          3HG2      ILE  40 -20.956  -2.507  -2.704
 1400   1HD1  ILE  40          1HD1      ILE  40 -22.676  -4.223  -3.794
 1401   2HD1  ILE  40          2HD1      ILE  40 -23.846  -5.516  -3.537
 1402   3HD1  ILE  40          3HD1      ILE  40 -24.396  -3.848  -3.701
 1403    H    THR  41           H        THR  41 -20.344  -3.340   1.500
 1404    HA   THR  41           HA       THR  41 -19.940  -0.473   1.840
 1405    HB   THR  41           HB       THR  41 -18.214  -2.605   3.061
 1406    HG1  THR  41           HG1      THR  41 -20.860  -2.445   3.348
 1407   1HG2  THR  41          1HG2      THR  41 -18.076   0.081   3.217
 1408   2HG2  THR  41          2HG2      THR  41 -19.157  -0.246   4.571
 1409   3HG2  THR  41          3HG2      THR  41 -17.561  -0.994   4.516
 1410    H    LEU  42           H        LEU  42 -18.149   0.648   1.105
 1411    HA   LEU  42           HA       LEU  42 -16.276  -0.871  -0.579
 1412   1HB   LEU  42          2HB       LEU  42 -17.390   0.911  -1.826
 1413   2HB   LEU  42          3HB       LEU  42 -16.928   2.082  -0.606
 1414    HG   LEU  42           HG       LEU  42 -14.487   1.283  -1.257
 1415   1HD1  LEU  42          1HD1      LEU  42 -16.202   0.482  -3.574
 1416   2HD1  LEU  42          2HD1      LEU  42 -14.530   0.988  -3.808
 1417   3HD1  LEU  42          3HD1      LEU  42 -14.894  -0.409  -2.797
 1418   1HD2  LEU  42          1HD2      LEU  42 -15.790   3.544  -1.598
 1419   2HD2  LEU  42          2HD2      LEU  42 -14.251   3.240  -2.405
 1420   3HD2  LEU  42          3HD2      LEU  42 -15.770   3.038  -3.288
 1421    H    ILE  43           H        ILE  43 -14.342  -1.159   0.218
 1422    HA   ILE  43           HA       ILE  43 -13.446   0.611   2.395
 1423    HB   ILE  43           HB       ILE  43 -12.858  -2.298   1.879
 1424   1HG1  ILE  43          2HG1      ILE  43 -13.329  -1.592   4.605
 1425   2HG1  ILE  43          3HG1      ILE  43 -14.568  -0.830   3.610
 1426   1HG2  ILE  43          1HG2      ILE  43 -11.104  -0.292   3.089
 1427   2HG2  ILE  43          2HG2      ILE  43 -11.406  -1.691   4.119
 1428   3HG2  ILE  43          3HG2      ILE  43 -10.737  -1.914   2.503
 1429   1HD1  ILE  43          1HD1      ILE  43 -14.034  -3.634   2.961
 1430   2HD1  ILE  43          2HD1      ILE  43 -14.687  -3.353   4.575
 1431   3HD1  ILE  43          3HD1      ILE  43 -15.564  -2.777   3.157
 1432    H    ASP  44           H        ASP  44 -12.029   2.018   1.766
 1433    HA   ASP  44           HA       ASP  44 -10.368   1.441  -0.578
 1434   1HB   ASP  44          2HB       ASP  44 -11.273   3.518  -0.994
 1435   2HB   ASP  44          3HB       ASP  44 -11.377   3.930   0.712
 1436    H    VAL  45           H        VAL  45  -8.190   1.437  -0.497
 1437    HA   VAL  45           HA       VAL  45  -6.939   2.014   2.097
 1438    HB   VAL  45           HB       VAL  45  -5.222   0.148   1.226
 1439   1HG1  VAL  45          1HG1      VAL  45  -7.711  -0.299   2.861
 1440   2HG1  VAL  45          2HG1      VAL  45  -6.384  -1.456   2.753
 1441   3HG1  VAL  45          3HG1      VAL  45  -6.105   0.145   3.438
 1442   1HG2  VAL  45          1HG2      VAL  45  -7.909  -0.746   0.191
 1443   2HG2  VAL  45          2HG2      VAL  45  -6.423  -0.523  -0.732
 1444   3HG2  VAL  45          3HG2      VAL  45  -6.542  -1.827   0.449
 1445    H    ARG  46           H        ARG  46  -6.216   3.947   1.445
 1446    HA   ARG  46           HA       ARG  46  -3.946   3.925  -0.358
 1447   1HB   ARG  46          2HB       ARG  46  -6.458   5.475  -0.814
 1448   2HB   ARG  46          3HB       ARG  46  -4.925   6.253  -1.191
 1449   1HG   ARG  46          2HG       ARG  46  -4.440   4.065  -2.503
 1450   2HG   ARG  46          3HG       ARG  46  -6.189   3.857  -2.441
 1451   1HD   ARG  46          2HD       ARG  46  -5.642   4.943  -4.495
 1452   2HD   ARG  46          3HD       ARG  46  -6.429   6.119  -3.447
 1453    HE   ARG  46           HE       ARG  46  -4.538   7.376  -3.525
 1454   1HH1  ARG  46          1HH1      ARG  46  -3.698   4.110  -4.459
 1455   2HH1  ARG  46          2HH1      ARG  46  -2.047   4.501  -4.818
 1456   1HH2  ARG  46          1HH2      ARG  46  -2.359   7.907  -4.065
 1457   2HH2  ARG  46          2HH2      ARG  46  -1.279   6.632  -4.562
 1458    H    ASP  47           H        ASP  47  -2.702   5.966  -0.156
 1459    HA   ASP  47           HA       ASP  47  -2.286   6.400   2.603
 1460   1HB   ASP  47          2HB       ASP  47  -0.992   7.683   0.177
 1461   2HB   ASP  47          3HB       ASP  47  -0.423   7.889   1.830
 1462    HA   PRO  48           HA       PRO  48  -5.146   9.480   3.437
 1463   1HB   PRO  48          2HB       PRO  48  -3.899  10.661   5.610
 1464   2HB   PRO  48          3HB       PRO  48  -4.857   9.177   5.657
 1465   1HG   PRO  48          2HG       PRO  48  -1.892   9.517   5.505
 1466   2HG   PRO  48          3HG       PRO  48  -2.841   8.344   6.438
 1467   1HD   PRO  48          2HD       PRO  48  -1.612   7.637   4.176
 1468   2HD   PRO  48          3HD       PRO  48  -3.215   6.990   4.585
 1469    H    ASP  49           H        ASP  49  -1.881  10.529   2.789
 1470    HA   ASP  49           HA       ASP  49  -2.638  13.331   2.784
 1471   1HB   ASP  49          2HB       ASP  49  -0.209  12.136   3.022
 1472   2HB   ASP  49          3HB       ASP  49  -0.188  12.600   1.322
 1473    H    GLU  50           H        GLU  50  -2.430  10.701   0.522
 1474    HA   GLU  50           HA       GLU  50  -2.822  12.287  -1.841
 1475   1HB   GLU  50          2HB       GLU  50  -3.405   9.356  -1.368
 1476   2HB   GLU  50          3HB       GLU  50  -3.285  10.153  -2.930
 1477   1HG   GLU  50          2HG       GLU  50  -0.899  10.618  -1.412
 1478   2HG   GLU  50          3HG       GLU  50  -1.249   8.890  -1.485
 1479    H    LEU  51           H        LEU  51  -4.839  10.500   0.429
 1480    HA   LEU  51           HA       LEU  51  -7.342  10.823  -0.825
 1481   1HB   LEU  51          2HB       LEU  51  -6.327  10.034   1.794
 1482   2HB   LEU  51          3HB       LEU  51  -7.846  10.903   1.901
 1483    HG   LEU  51           HG       LEU  51  -8.568   9.191   0.019
 1484   1HD1  LEU  51          1HD1      LEU  51  -6.225   8.244  -0.020
 1485   2HD1  LEU  51          2HD1      LEU  51  -6.575   7.556   1.564
 1486   3HD1  LEU  51          3HD1      LEU  51  -7.533   7.077   0.163
 1487   1HD2  LEU  51          1HD2      LEU  51  -8.975   9.478   2.747
 1488   2HD2  LEU  51          2HD2      LEU  51  -9.912   8.474   1.641
 1489   3HD2  LEU  51          3HD2      LEU  51  -8.565   7.774   2.540
 1490    H    LYS  52           H        LYS  52  -5.430  12.874   1.212
 1491    HA   LYS  52           HA       LYS  52  -7.483  14.818   1.689
 1492   1HB   LYS  52          2HB       LYS  52  -4.872  14.288   2.661
 1493   2HB   LYS  52          3HB       LYS  52  -4.862  15.926   2.021
 1494   1HG   LYS  52          2HG       LYS  52  -5.586  16.460   4.070
 1495   2HG   LYS  52          3HG       LYS  52  -7.159  15.969   3.438
 1496   1HD   LYS  52          2HD       LYS  52  -7.137  14.683   5.315
 1497   2HD   LYS  52          3HD       LYS  52  -6.273  13.582   4.241
 1498   1HE   LYS  52          2HE       LYS  52  -4.789  13.571   5.951
 1499   2HE   LYS  52          3HE       LYS  52  -4.201  15.019   5.135
 1500   1HZ   LYS  52          HZ1       LYS  52  -6.085  16.055   6.717
 1501   2HZ   LYS  52          HZ2       LYS  52  -5.577  14.749   7.675
 1502   3HZ   LYS  52          HZ3       LYS  52  -4.454  15.912   7.166
 1503    H    ALA  53           H        ALA  53  -4.771  14.495  -0.540
 1504    HA   ALA  53           HA       ALA  53  -5.090  17.133  -1.596
 1505   1HB   ALA  53          1HB       ALA  53  -3.161  15.017  -1.755
 1506   2HB   ALA  53          2HB       ALA  53  -3.507  15.658  -3.362
 1507   3HB   ALA  53          3HB       ALA  53  -2.966  16.741  -2.079
 1508    H    MET  54           H        MET  54  -5.757  13.867  -2.897
 1509    HA   MET  54           HA       MET  54  -6.893  15.123  -5.277
 1510   1HB   MET  54          2HB       MET  54  -5.970  12.363  -4.589
 1511   2HB   MET  54          3HB       MET  54  -7.102  12.579  -5.918
 1512   1HG   MET  54          2HG       MET  54  -5.276  14.452  -6.541
 1513   2HG   MET  54          3HG       MET  54  -4.254  13.277  -5.717
 1514   1HE   MET  54          1HE       MET  54  -3.308  11.578  -6.473
 1515   2HE   MET  54          2HE       MET  54  -4.339  10.270  -7.049
 1516   3HE   MET  54          3HE       MET  54  -3.218  11.061  -8.157
 1517    H    GLY  55           H        GLY  55  -7.891  13.145  -2.561
 1518   1HA   GLY  55          1HA       GLY  55 -10.205  13.651  -1.812
 1519   2HA   GLY  55          2HA       GLY  55 -10.671  13.419  -3.489
 1520    H    LYS  56           H        LYS  56 -12.029  11.999  -1.751
 1521    HA   LYS  56           HA       LYS  56 -11.101   9.275  -2.265
 1522   1HB   LYS  56          2HB       LYS  56 -11.693   8.524  -0.035
 1523   2HB   LYS  56          3HB       LYS  56 -10.509   9.818   0.082
 1524   1HG   LYS  56          2HG       LYS  56 -12.898  11.165   0.206
 1525   2HG   LYS  56          3HG       LYS  56 -13.229   9.676   1.093
 1526   1HD   LYS  56          2HD       LYS  56 -12.118  10.458   2.848
 1527   2HD   LYS  56          3HD       LYS  56 -10.661  10.624   1.868
 1528   1HE   LYS  56          2HE       LYS  56 -12.449  12.760   1.242
 1529   2HE   LYS  56          3HE       LYS  56 -12.265  12.661   2.991
 1530   1HZ   LYS  56          HZ1       LYS  56  -9.850  12.701   2.685
 1531   2HZ   LYS  56          HZ2       LYS  56 -10.061  12.889   1.013
 1532   3HZ   LYS  56          HZ3       LYS  56 -10.593  14.099   2.074
 1533    HA   PRO  57           HA       PRO  57 -15.171   8.565  -3.727
 1534   1HB   PRO  57          2HB       PRO  57 -15.815   6.134  -2.574
 1535   2HB   PRO  57          3HB       PRO  57 -14.850   6.341  -4.038
 1536   1HG   PRO  57          2HG       PRO  57 -13.950   5.867  -1.229
 1537   2HG   PRO  57          3HG       PRO  57 -13.293   5.219  -2.744
 1538   1HD   PRO  57          2HD       PRO  57 -12.089   7.227  -1.427
 1539   2HD   PRO  57          3HD       PRO  57 -12.110   7.160  -3.202
 1540    H    ASP  58           H        ASP  58 -16.973   9.538  -3.132
 1541    HA   ASP  58           HA       ASP  58 -17.784   9.494  -0.311
 1542   1HB   ASP  58          2HB       ASP  58 -17.657  11.720  -1.293
 1543   2HB   ASP  58          3HB       ASP  58 -18.729  11.232  -2.604
 1544    H    VAL  59           H        VAL  59 -18.783   7.560  -0.061
 1545    HA   VAL  59           HA       VAL  59 -21.299   7.270  -1.529
 1546    HB   VAL  59           HB       VAL  59 -21.103   4.825  -1.528
 1547   1HG1  VAL  59          1HG1      VAL  59 -19.841   6.585  -3.243
 1548   2HG1  VAL  59          2HG1      VAL  59 -18.620   5.354  -2.916
 1549   3HG1  VAL  59          3HG1      VAL  59 -20.199   4.885  -3.552
 1550   1HG2  VAL  59          1HG2      VAL  59 -19.459   4.803   0.413
 1551   2HG2  VAL  59          2HG2      VAL  59 -19.186   3.645  -0.891
 1552   3HG2  VAL  59          3HG2      VAL  59 -18.210   5.112  -0.795
 1553    H    LYS  60           H        LYS  60 -22.827   5.857  -0.381
 1554    HA   LYS  60           HA       LYS  60 -23.355   6.838   2.157
 1555   1HB   LYS  60          2HB       LYS  60 -24.721   4.403   2.009
 1556   2HB   LYS  60          3HB       LYS  60 -25.326   5.987   1.540
 1557   1HG   LYS  60          2HG       LYS  60 -24.642   5.643  -0.731
 1558   2HG   LYS  60          3HG       LYS  60 -23.825   4.139  -0.302
 1559   1HD   LYS  60          2HD       LYS  60 -25.699   3.045  -0.728
 1560   2HD   LYS  60          3HD       LYS  60 -26.480   3.908   0.600
 1561   1HE   LYS  60          2HE       LYS  60 -26.211   5.272  -2.032
 1562   2HE   LYS  60          3HE       LYS  60 -27.430   4.011  -1.860
 1563   1HZ   LYS  60          HZ1       LYS  60 -28.161   5.286   0.192
 1564   2HZ   LYS  60          HZ2       LYS  60 -27.217   6.571  -0.394
 1565   3HZ   LYS  60          HZ3       LYS  60 -28.517   5.986  -1.314
 1566    H    ASN  61           H        ASN  61 -21.795   3.815   1.219
 1567    HA   ASN  61           HA       ASN  61 -21.140   3.362   4.050
 1568   1HB   ASN  61          2HB       ASN  61 -22.816   1.766   2.761
 1569   2HB   ASN  61          3HB       ASN  61 -21.327   1.064   2.146
 1570   1HD2  ASN  61          1HD2      ASN  61 -22.972  -0.464   3.570
 1571   2HD2  ASN  61          2HD2      ASN  61 -22.279  -0.805   5.114
 1572    H    TYR  62           H        TYR  62 -19.226   4.655   3.516
 1573    HA   TYR  62           HA       TYR  62 -17.193   3.076   2.084
 1574   1HB   TYR  62          HB2       TYR  62 -17.448   5.051   0.835
 1575   2HB   TYR  62          HB3       TYR  62 -17.666   6.041   2.274
 1576    HD1  TYR  62           HD1      TYR  62 -15.045   3.760   0.892
 1577    HD2  TYR  62           HD2      TYR  62 -15.949   7.481   2.730
 1578    HE1  TYR  62           HE1      TYR  62 -12.667   4.350   0.838
 1579    HE2  TYR  62           HE2      TYR  62 -13.567   8.095   2.681
 1580    HH   TYR  62           HH       TYR  62 -11.136   5.985   1.169
 1581    H    LYS  63           H        LYS  63 -15.533   2.359   3.283
 1582    HA   LYS  63           HA       LYS  63 -14.906   3.821   5.752
 1583   1HB   LYS  63          2HB       LYS  63 -14.732   0.815   5.535
 1584   2HB   LYS  63          3HB       LYS  63 -14.611   1.809   6.979
 1585   1HG   LYS  63          2HG       LYS  63 -16.995   2.485   6.576
 1586   2HG   LYS  63          3HG       LYS  63 -17.066   1.203   5.368
 1587   1HD   LYS  63          2HD       LYS  63 -16.269  -0.360   7.203
 1588   2HD   LYS  63          3HD       LYS  63 -16.598   0.958   8.331
 1589   1HE   LYS  63          2HE       LYS  63 -18.851   0.640   6.619
 1590   2HE   LYS  63          3HE       LYS  63 -18.406  -0.943   7.256
 1591   1HZ   LYS  63          HZ1       LYS  63 -18.459   1.240   9.184
 1592   2HZ   LYS  63          HZ2       LYS  63 -19.964   0.783   8.544
 1593   3HZ   LYS  63          HZ3       LYS  63 -18.997  -0.363   9.336
 1594    H    HIS  64           H        HIS  64 -12.890   4.555   5.719
 1595    HA   HIS  64           HA       HIS  64 -10.967   3.383   3.850
 1596   1HB   HIS  64          2HB       HIS  64 -11.251   5.805   3.737
 1597   2HB   HIS  64          3HB       HIS  64 -10.893   5.954   5.453
 1598    HD1  HIS  64           HD1      HIS  64  -8.785   7.318   5.337
 1599    HD2  HIS  64           HD2      HIS  64  -8.635   3.934   2.924
 1600    HE1  HIS  64           HE1      HIS  64  -6.409   7.185   4.488
 1601    HE2  HIS  64           HE2      HIS  64  -6.439   5.301   2.833
 1602    H    MET  65           H        MET  65  -9.675   1.825   4.626
 1603    HA   MET  65           HA       MET  65  -9.020   1.819   7.478
 1604   1HB   MET  65          2HB       MET  65  -9.389  -0.205   5.437
 1605   2HB   MET  65          3HB       MET  65  -7.833  -0.392   6.231
 1606   1HG   MET  65          2HG       MET  65  -8.930  -1.538   7.778
 1607   2HG   MET  65          3HG       MET  65  -9.536   0.020   8.336
 1608   1HE   MET  65          1HE       MET  65 -11.654   0.933   8.103
 1609   2HE   MET  65          2HE       MET  65 -11.918   0.951   6.359
 1610   3HE   MET  65          3HE       MET  65 -13.105   0.196   7.425
 1611    H    SER  66           H        SER  66  -6.713   1.059   7.922
 1612    HA   SER  66           HA       SER  66  -4.827   2.812   6.654
 1613   1HB   SER  66          2HB       SER  66  -3.682   0.635   8.227
 1614   2HB   SER  66          3HB       SER  66  -3.574   2.376   8.482
 1615    HG   SER  66           HG       SER  66  -5.109   0.563   9.757
 1616    H    ARG  67           H        ARG  67  -3.256   2.209   5.154
 1617    HA   ARG  67           HA       ARG  67  -4.071   0.300   3.308
 1618   1HB   ARG  67          2HB       ARG  67  -1.282   1.426   3.528
 1619   2HB   ARG  67          3HB       ARG  67  -2.078   0.823   2.080
 1620   1HG   ARG  67          2HG       ARG  67  -2.651   2.919   1.655
 1621   2HG   ARG  67          3HG       ARG  67  -3.776   2.803   3.007
 1622   1HD   ARG  67          2HD       ARG  67  -1.034   3.352   3.833
 1623   2HD   ARG  67          3HD       ARG  67  -1.703   4.595   2.776
 1624    HE   ARG  67           HE       ARG  67  -3.660   4.485   4.466
 1625   1HH1  ARG  67          1HH1      ARG  67  -0.247   4.256   5.165
 1626   2HH1  ARG  67          2HH1      ARG  67  -0.407   4.780   6.807
 1627   1HH2  ARG  67          1HH2      ARG  67  -3.876   5.235   6.637
 1628   2HH2  ARG  67          2HH2      ARG  67  -2.468   5.353   7.639
 1629    H    GLY  68           H        GLY  68  -1.565   0.111   5.753
 1630   1HA   GLY  68          1HA       GLY  68  -1.151  -2.723   5.078
 1631   2HA   GLY  68          2HA       GLY  68  -0.031  -1.739   6.013
 1632    H    LYS  69           H        LYS  69  -1.707  -0.523   7.777
 1633    HA   LYS  69           HA       LYS  69  -2.241  -2.692   9.602
 1634   1HB   LYS  69          2HB       LYS  69  -1.208  -0.238   9.973
 1635   2HB   LYS  69          3HB       LYS  69  -2.892   0.107  10.339
 1636   1HG   LYS  69          2HG       LYS  69  -2.216  -2.267  11.708
 1637   2HG   LYS  69          3HG       LYS  69  -0.915  -1.105  11.986
 1638   1HD   LYS  69          2HD       LYS  69  -2.996   0.520  12.354
 1639   2HD   LYS  69          3HD       LYS  69  -3.769  -1.004  12.795
 1640   1HE   LYS  69          2HE       LYS  69  -2.316  -1.367  14.578
 1641   2HE   LYS  69          3HE       LYS  69  -1.112  -0.243  13.947
 1642   1HZ   LYS  69          HZ1       LYS  69  -2.906   1.516  14.332
 1643   2HZ   LYS  69          HZ2       LYS  69  -3.654   0.361  15.322
 1644   3HZ   LYS  69          HZ3       LYS  69  -2.090   0.909  15.688
 1645    H    LEU  70           H        LEU  70  -3.972  -2.676   7.399
 1646    HA   LEU  70           HA       LEU  70  -6.510  -1.558   8.171
 1647   1HB   LEU  70          2HB       LEU  70  -7.272  -2.268   6.160
 1648   2HB   LEU  70          3HB       LEU  70  -5.563  -2.388   5.797
 1649    HG   LEU  70           HG       LEU  70  -6.312  -4.866   6.928
 1650   1HD1  LEU  70          1HD1      LEU  70  -8.554  -3.637   5.717
 1651   2HD1  LEU  70          2HD1      LEU  70  -8.000  -4.921   4.642
 1652   3HD1  LEU  70          3HD1      LEU  70  -8.399  -5.287   6.322
 1653   1HD2  LEU  70          1HD2      LEU  70  -5.307  -3.790   4.375
 1654   2HD2  LEU  70          2HD2      LEU  70  -4.692  -5.103   5.380
 1655   3HD2  LEU  70          3HD2      LEU  70  -6.059  -5.384   4.301
 1656    H    GLU  71           H        GLU  71  -4.740  -4.476   8.540
 1657    HA   GLU  71           HA       GLU  71  -6.609  -6.346   9.164
 1658   1HB   GLU  71          2HB       GLU  71  -4.444  -6.579  11.073
 1659   2HB   GLU  71          3HB       GLU  71  -4.862  -7.618   9.719
 1660   1HG   GLU  71          2HG       GLU  71  -3.150  -6.858   8.540
 1661   2HG   GLU  71          3HG       GLU  71  -3.677  -5.189   8.761
 1662    HA   PRO  72           HA       PRO  72  -7.034  -5.154  13.786
 1663   1HB   PRO  72          2HB       PRO  72  -5.603  -2.679  14.294
 1664   2HB   PRO  72          3HB       PRO  72  -5.405  -4.255  15.063
 1665   1HG   PRO  72          2HG       PRO  72  -3.532  -3.158  13.431
 1666   2HG   PRO  72          3HG       PRO  72  -3.764  -4.908  13.606
 1667   1HD   PRO  72          2HD       PRO  72  -4.733  -3.074  11.444
 1668   2HD   PRO  72          3HD       PRO  72  -4.022  -4.696  11.308
 1669    H    LEU  73           H        LEU  73  -7.078  -2.759  11.314
 1670    HA   LEU  73           HA       LEU  73  -8.852  -0.981  12.767
 1671   1HB   LEU  73          2HB       LEU  73  -7.130  -0.834  10.430
 1672   2HB   LEU  73          3HB       LEU  73  -8.693  -0.102  10.121
 1673    HG   LEU  73           HG       LEU  73  -7.006   1.528  10.886
 1674   1HD1  LEU  73          1HD1      LEU  73  -9.433   1.828  11.333
 1675   2HD1  LEU  73          2HD1      LEU  73  -9.173   1.150  12.938
 1676   3HD1  LEU  73          3HD1      LEU  73  -8.380   2.655  12.478
 1677   1HD2  LEU  73          1HD2      LEU  73  -6.052  -0.350  12.513
 1678   2HD2  LEU  73          2HD2      LEU  73  -5.833   1.374  12.824
 1679   3HD2  LEU  73          3HD2      LEU  73  -7.108   0.482  13.654
 1680    H    LEU  74           H        LEU  74  -9.067  -3.522  10.505
 1681    HA   LEU  74           HA       LEU  74 -11.293  -2.849   9.014
 1682   1HB   LEU  74          2HB       LEU  74  -9.789  -4.660   8.454
 1683   2HB   LEU  74          3HB       LEU  74 -10.281  -5.552   9.878
 1684    HG   LEU  74           HG       LEU  74 -12.670  -5.280   8.641
 1685   1HD1  LEU  74          1HD1      LEU  74 -10.881  -4.411   6.706
 1686   2HD1  LEU  74          2HD1      LEU  74 -11.231  -6.083   6.266
 1687   3HD1  LEU  74          3HD1      LEU  74 -12.549  -4.924   6.451
 1688   1HD2  LEU  74          1HD2      LEU  74 -11.387  -7.307   9.528
 1689   2HD2  LEU  74          2HD2      LEU  74 -12.502  -7.566   8.187
 1690   3HD2  LEU  74          3HD2      LEU  74 -10.766  -7.471   7.885
 1691    H    ALA  75           H        ALA  75 -11.221  -4.858  11.960
 1692    HA   ALA  75           HA       ALA  75 -14.033  -5.255  11.949
 1693   1HB   ALA  75          1HB       ALA  75 -11.771  -6.121  13.517
 1694   2HB   ALA  75          2HB       ALA  75 -13.176  -5.782  14.525
 1695   3HB   ALA  75          3HB       ALA  75 -13.302  -6.935  13.197
 1696    H    LYS  76           H        LYS  76 -12.089  -2.701  13.068
 1697    HA   LYS  76           HA       LYS  76 -13.755  -1.856  15.219
 1698   1HB   LYS  76          2HB       LYS  76 -11.824  -0.068  13.779
 1699   2HB   LYS  76          3HB       LYS  76 -12.290  -0.046  15.475
 1700   1HG   LYS  76          2HG       LYS  76 -10.930  -2.462  14.413
 1701   2HG   LYS  76          3HG       LYS  76  -9.980  -1.007  14.699
 1702   1HD   LYS  76          2HD       LYS  76  -9.915  -1.455  16.877
 1703   2HD   LYS  76          3HD       LYS  76 -11.677  -1.438  16.946
 1704   1HE   LYS  76          2HE       LYS  76 -11.098  -3.563  17.724
 1705   2HE   LYS  76          3HE       LYS  76 -11.551  -3.829  16.042
 1706   1HZ   LYS  76          HZ1       LYS  76  -8.799  -3.259  16.174
 1707   2HZ   LYS  76          HZ2       LYS  76  -9.150  -4.485  17.293
 1708   3HZ   LYS  76          HZ3       LYS  76  -9.560  -4.688  15.660
 1709    H    SER  77           H        SER  77 -13.735  -1.347  11.804
 1710    HA   SER  77           HA       SER  77 -15.330   1.034  11.854
 1711   1HB   SER  77          2HB       SER  77 -15.426  -0.480   9.371
 1712   2HB   SER  77          3HB       SER  77 -14.778   1.133   9.681
 1713    HG   SER  77           HG       SER  77 -12.839   0.284  10.182
 1714    H    GLY  78           H        GLY  78 -15.939  -2.410  11.805
 1715   1HA   GLY  78          1HA       GLY  78 -17.999  -3.352  12.454
 1716   2HA   GLY  78          2HA       GLY  78 -18.793  -1.837  12.053
 1717    H    LEU  79           H        LEU  79 -17.349  -4.747  10.733
 1718    HA   LEU  79           HA       LEU  79 -19.010  -4.399   8.323
 1719   1HB   LEU  79          2HB       LEU  79 -16.256  -5.632   8.487
 1720   2HB   LEU  79          3HB       LEU  79 -17.265  -5.600   7.052
 1721    HG   LEU  79           HG       LEU  79 -16.526  -3.027   8.374
 1722   1HD1  LEU  79          1HD1      LEU  79 -14.646  -4.912   7.299
 1723   2HD1  LEU  79          2HD1      LEU  79 -14.685  -3.449   6.315
 1724   3HD1  LEU  79          3HD1      LEU  79 -14.358  -3.339   8.044
 1725   1HD2  LEU  79          1HD2      LEU  79 -17.564  -3.966   5.778
 1726   2HD2  LEU  79          2HD2      LEU  79 -17.888  -2.474   6.661
 1727   3HD2  LEU  79          3HD2      LEU  79 -16.408  -2.635   5.714
 1728    H    ASP  80           H        ASP  80 -20.066  -6.262   7.554
 1729    HA   ASP  80           HA       ASP  80 -19.901  -8.584   9.356
 1730   1HB   ASP  80          2HB       ASP  80 -22.077  -7.611   9.553
 1731   2HB   ASP  80          3HB       ASP  80 -22.232  -7.441   7.808
 1732    HA   PRO  81           HA       PRO  81 -18.213 -10.674   5.866
 1733   1HB   PRO  81          2HB       PRO  81 -18.521 -13.240   6.760
 1734   2HB   PRO  81          3HB       PRO  81 -17.246 -12.144   7.311
 1735   1HG   PRO  81          2HG       PRO  81 -19.859 -12.817   8.609
 1736   2HG   PRO  81          3HG       PRO  81 -18.255 -12.643   9.344
 1737   1HD   PRO  81          2HD       PRO  81 -20.096 -10.695   9.494
 1738   2HD   PRO  81          3HD       PRO  81 -18.363 -10.334   9.341
 1739    H    GLU  82           H        GLU  82 -21.503 -10.880   6.690
 1740    HA   GLU  82           HA       GLU  82 -22.048 -12.664   4.429
 1741   1HB   GLU  82          2HB       GLU  82 -23.923 -11.584   6.537
 1742   2HB   GLU  82          3HB       GLU  82 -24.363 -12.705   5.254
 1743   1HG   GLU  82          2HG       GLU  82 -22.140 -13.454   7.070
 1744   2HG   GLU  82          3HG       GLU  82 -23.790 -13.524   7.686
 1745    H    LYS  83           H        LYS  83 -21.449  -9.533   4.876
 1746    HA   LYS  83           HA       LYS  83 -23.475  -8.633   2.945
 1747   1HB   LYS  83          2HB       LYS  83 -21.665  -6.957   4.700
 1748   2HB   LYS  83          3HB       LYS  83 -22.922  -6.351   3.631
 1749   1HG   LYS  83          2HG       LYS  83 -23.319  -8.036   6.094
 1750   2HG   LYS  83          3HG       LYS  83 -23.688  -6.320   5.917
 1751   1HD   LYS  83          2HD       LYS  83 -25.493  -6.739   4.486
 1752   2HD   LYS  83          3HD       LYS  83 -24.940  -8.375   4.124
 1753   1HE   LYS  83          2HE       LYS  83 -25.802  -7.538   6.880
 1754   2HE   LYS  83          3HE       LYS  83 -26.941  -8.150   5.681
 1755   1HZ   LYS  83          HZ1       LYS  83 -25.600 -10.184   5.543
 1756   2HZ   LYS  83          HZ2       LYS  83 -24.575  -9.595   6.764
 1757   3HZ   LYS  83          HZ3       LYS  83 -26.207  -9.926   7.106
 1758    HA   PRO  84           HA       PRO  84 -20.296  -8.520  -0.139
 1759   1HB   PRO  84          2HB       PRO  84 -21.807  -6.369  -1.456
 1760   2HB   PRO  84          3HB       PRO  84 -21.460  -8.006  -2.025
 1761   1HG   PRO  84          2HG       PRO  84 -23.930  -7.285  -1.282
 1762   2HG   PRO  84          3HG       PRO  84 -23.295  -8.909  -0.953
 1763   1HD   PRO  84          2HD       PRO  84 -23.497  -6.549   0.894
 1764   2HD   PRO  84          3HD       PRO  84 -23.927  -8.253   1.194
 1765    H    VAL  85           H        VAL  85 -18.424  -7.480  -0.311
 1766    HA   VAL  85           HA       VAL  85 -18.324  -4.601   0.252
 1767    HB   VAL  85           HB       VAL  85 -16.117  -5.028   1.442
 1768   1HG1  VAL  85          1HG1      VAL  85 -18.317  -4.438   2.535
 1769   2HG1  VAL  85          2HG1      VAL  85 -18.499  -6.156   2.892
 1770   3HG1  VAL  85          3HG1      VAL  85 -17.139  -5.256   3.563
 1771   1HG2  VAL  85          1HG2      VAL  85 -17.245  -7.820   1.585
 1772   2HG2  VAL  85          2HG2      VAL  85 -15.777  -7.323   0.739
 1773   3HG2  VAL  85          3HG2      VAL  85 -15.857  -7.226   2.498
 1774    H    VAL  86           H        VAL  86 -16.663  -3.491  -0.802
 1775    HA   VAL  86           HA       VAL  86 -15.097  -5.082  -2.710
 1776    HB   VAL  86           HB       VAL  86 -16.623  -4.148  -4.182
 1777   1HG1  VAL  86          1HG1      VAL  86 -16.646  -1.725  -2.413
 1778   2HG1  VAL  86          2HG1      VAL  86 -17.358  -1.728  -4.027
 1779   3HG1  VAL  86          3HG1      VAL  86 -17.969  -2.828  -2.789
 1780   1HG2  VAL  86          1HG2      VAL  86 -14.065  -3.205  -4.317
 1781   2HG2  VAL  86          2HG2      VAL  86 -15.286  -3.016  -5.577
 1782   3HG2  VAL  86          3HG2      VAL  86 -15.011  -1.719  -4.413
 1783    H    VAL  87           H        VAL  87 -13.001  -4.440  -2.996
 1784    HA   VAL  87           HA       VAL  87 -12.040  -2.437  -1.073
 1785    HB   VAL  87           HB       VAL  87  -9.763  -3.527  -1.558
 1786   1HG1  VAL  87          1HG1      VAL  87 -12.006  -4.529   0.062
 1787   2HG1  VAL  87          2HG1      VAL  87 -10.672  -5.662  -0.167
 1788   3HG1  VAL  87          3HG1      VAL  87 -10.370  -4.074   0.543
 1789   1HG2  VAL  87          1HG2      VAL  87 -11.607  -5.591  -2.742
 1790   2HG2  VAL  87          2HG2      VAL  87 -10.255  -4.774  -3.527
 1791   3HG2  VAL  87          3HG2      VAL  87  -9.954  -5.933  -2.231
 1792    H    PHE  88           H        PHE  88 -11.399  -0.561  -1.809
 1793    HA   PHE  88           HA       PHE  88 -10.876  -0.290  -4.688
 1794   1HB   PHE  88          2HB       PHE  88 -12.839   0.916  -3.552
 1795   2HB   PHE  88          3HB       PHE  88 -11.624   1.944  -2.803
 1796    HD1  PHE  88           HD1      PHE  88 -11.976   0.587  -6.277
 1797    HD2  PHE  88           HD2      PHE  88 -11.714   4.024  -3.772
 1798    HE1  PHE  88           HE1      PHE  88 -11.923   2.026  -8.259
 1799    HE2  PHE  88           HE2      PHE  88 -11.662   5.460  -5.755
 1800    HZ   PHE  88           HZ       PHE  88 -11.764   4.465  -8.002
 1801    H    CYS  89           H        CYS  89  -9.136   0.840  -5.433
 1802    HA   CYS  89           HA       CYS  89  -7.431   2.493  -4.013
 1803   1HB   CYS  89          2HB       CYS  89  -6.818   0.505  -2.691
 1804   2HB   CYS  89          3HB       CYS  89  -6.370  -0.343  -4.167
 1805    H    LYS  90           H        LYS  90  -6.775  -0.266  -6.143
 1806    HA   LYS  90           HA       LYS  90  -6.752   1.144  -8.558
 1807   1HB   LYS  90          2HB       LYS  90  -4.436   1.634  -7.027
 1808   2HB   LYS  90          3HB       LYS  90  -3.956   0.462  -8.247
 1809   1HG   LYS  90          2HG       LYS  90  -5.490   2.416  -9.570
 1810   2HG   LYS  90          3HG       LYS  90  -4.367   3.273  -8.511
 1811   1HD   LYS  90          2HD       LYS  90  -2.827   1.263  -9.635
 1812   2HD   LYS  90          3HD       LYS  90  -3.859   1.802 -10.963
 1813   1HE   LYS  90          2HE       LYS  90  -2.462   3.811  -9.247
 1814   2HE   LYS  90          3HE       LYS  90  -1.576   2.982 -10.526
 1815   1HZ   LYS  90          HZ1       LYS  90  -3.802   3.752 -11.809
 1816   2HZ   LYS  90          HZ2       LYS  90  -3.610   5.032 -10.714
 1817   3HZ   LYS  90          HZ3       LYS  90  -2.358   4.639 -11.790
 1818    H    THR  91           H        THR  91  -5.082  -0.256 -10.103
 1819    HA   THR  91           HA       THR  91  -6.064  -2.971  -9.925
 1820    HB   THR  91           HB       THR  91  -4.028  -2.601 -11.932
 1821    HG1  THR  91           HG1      THR  91  -6.134  -0.665 -11.875
 1822   1HG2  THR  91          1HG2      THR  91  -6.936  -3.267 -11.823
 1823   2HG2  THR  91          2HG2      THR  91  -6.203  -2.875 -13.378
 1824   3HG2  THR  91          3HG2      THR  91  -5.586  -4.226 -12.428
 1825    H    ALA  92           H        ALA  92  -4.796  -2.915  -7.720
 1826    HA   ALA  92           HA       ALA  92  -2.122  -4.042  -8.202
 1827   1HB   ALA  92          1HB       ALA  92  -2.235  -1.569  -7.464
 1828   2HB   ALA  92          2HB       ALA  92  -2.634  -2.234  -5.881
 1829   3HB   ALA  92          3HB       ALA  92  -1.107  -2.656  -6.654
 1830    H    ALA  93           H        ALA  93  -1.216  -5.084  -6.253
 1831    HA   ALA  93           HA       ALA  93  -3.004  -7.031  -5.200
 1832   1HB   ALA  93          1HB       ALA  93  -0.123  -6.488  -5.104
 1833   2HB   ALA  93          2HB       ALA  93  -0.772  -7.292  -3.677
 1834   3HB   ALA  93          3HB       ALA  93  -0.986  -8.015  -5.270
 1835    H    ARG  94           H        ARG  94  -1.840  -3.960  -4.117
 1836    HA   ARG  94           HA       ARG  94  -1.969  -4.046  -1.394
 1837   1HB   ARG  94          2HB       ARG  94  -1.303  -2.061  -2.644
 1838   2HB   ARG  94          3HB       ARG  94  -2.955  -1.831  -3.195
 1839   1HG   ARG  94          2HG       ARG  94  -3.641  -0.953  -1.223
 1840   2HG   ARG  94          3HG       ARG  94  -2.518  -1.924  -0.270
 1841   1HD   ARG  94          2HD       ARG  94  -1.215  -0.131  -0.106
 1842   2HD   ARG  94          3HD       ARG  94  -0.914  -0.260  -1.837
 1843    HE   ARG  94           HE       ARG  94  -3.341   1.146  -1.185
 1844   1HH1  ARG  94          1HH1      ARG  94   0.118   1.471  -1.697
 1845   2HH1  ARG  94          2HH1      ARG  94   0.026   3.175  -2.056
 1846   1HH2  ARG  94          1HH2      ARG  94  -3.428   3.377  -1.692
 1847   2HH2  ARG  94          2HH2      ARG  94  -1.956   4.235  -2.059
 1848    H    ALA  95           H        ALA  95  -4.740  -3.433  -3.556
 1849    HA   ALA  95           HA       ALA  95  -6.632  -3.360  -1.415
 1850   1HB   ALA  95          1HB       ALA  95  -6.956  -3.575  -4.402
 1851   2HB   ALA  95          2HB       ALA  95  -8.313  -3.487  -3.279
 1852   3HB   ALA  95          3HB       ALA  95  -7.171  -2.148  -3.388
 1853    H    ALA  96           H        ALA  96  -5.476  -5.804  -3.651
 1854    HA   ALA  96           HA       ALA  96  -7.395  -7.786  -3.209
 1855   1HB   ALA  96          1HB       ALA  96  -5.416  -7.595  -4.927
 1856   2HB   ALA  96          2HB       ALA  96  -4.564  -8.553  -3.715
 1857   3HB   ALA  96          3HB       ALA  96  -6.049  -9.168  -4.443
 1858    H    LEU  97           H        LEU  97  -4.645  -6.797  -1.323
 1859    HA   LEU  97           HA       LEU  97  -4.421  -9.128   0.280
 1860   1HB   LEU  97          2HB       LEU  97  -3.362  -6.391   0.337
 1861   2HB   LEU  97          3HB       LEU  97  -3.579  -7.107   1.927
 1862    HG   LEU  97           HG       LEU  97  -1.292  -7.353   0.758
 1863   1HD1  LEU  97          1HD1      LEU  97  -2.769  -9.686   1.956
 1864   2HD1  LEU  97          2HD1      LEU  97  -1.024  -9.642   1.698
 1865   3HD1  LEU  97          3HD1      LEU  97  -1.783  -8.489   2.798
 1866   1HD2  LEU  97          1HD2      LEU  97  -2.905  -8.565  -1.200
 1867   2HD2  LEU  97          2HD2      LEU  97  -1.143  -8.490  -1.145
 1868   3HD2  LEU  97          3HD2      LEU  97  -1.987  -9.865  -0.436
 1869    H    ALA  98           H        ALA  98  -6.287  -6.151   0.590
 1870    HA   ALA  98           HA       ALA  98  -7.339  -6.758   3.161
 1871   1HB   ALA  98          1HB       ALA  98  -7.642  -4.664   1.163
 1872   2HB   ALA  98          2HB       ALA  98  -9.155  -5.049   1.986
 1873   3HB   ALA  98          3HB       ALA  98  -7.736  -4.572   2.922
 1874    H    GLY  99           H        GLY  99  -8.452  -7.243  -0.148
 1875   1HA   GLY  99          1HA       GLY  99 -11.029  -8.206   0.625
 1876   2HA   GLY  99          2HA       GLY  99 -10.334  -8.270  -0.985
 1877    H    LYS 100           H        LYS 100  -8.161  -9.854  -0.694
 1878    HA   LYS 100           HA       LYS 100  -9.392 -12.339  -0.852
 1879   1HB   LYS 100          2HB       LYS 100  -7.427 -13.091  -1.710
 1880   2HB   LYS 100          3HB       LYS 100  -7.118 -11.364  -1.818
 1881   1HG   LYS 100          2HG       LYS 100  -5.497 -11.421  -0.246
 1882   2HG   LYS 100          3HG       LYS 100  -6.304 -12.673   0.702
 1883   1HD   LYS 100          2HD       LYS 100  -4.801 -13.104  -1.882
 1884   2HD   LYS 100          3HD       LYS 100  -4.204 -13.485  -0.267
 1885   1HE   LYS 100          2HE       LYS 100  -6.811 -14.645  -1.090
 1886   2HE   LYS 100          3HE       LYS 100  -5.352 -15.306  -1.823
 1887   1HZ   LYS 100          HZ1       LYS 100  -5.047 -15.022   0.988
 1888   2HZ   LYS 100          HZ2       LYS 100  -6.410 -15.962   0.629
 1889   3HZ   LYS 100          HZ3       LYS 100  -4.889 -16.405   0.026
 1890    H    THR 101           H        THR 101  -7.782 -10.836   1.845
 1891    HA   THR 101           HA       THR 101  -7.629 -13.231   3.410
 1892    HB   THR 101           HB       THR 101  -7.724 -10.443   4.553
 1893    HG1  THR 101           HG1      THR 101  -6.064 -10.078   3.247
 1894   1HG2  THR 101          1HG2      THR 101  -7.685 -12.371   6.101
 1895   2HG2  THR 101          2HG2      THR 101  -6.183 -12.914   5.355
 1896   3HG2  THR 101          3HG2      THR 101  -6.232 -11.380   6.223
 1897    H    LEU 102           H        LEU 102  -9.955 -10.651   2.915
 1898    HA   LEU 102           HA       LEU 102 -11.677 -11.288   5.056
 1899   1HB   LEU 102          2HB       LEU 102 -11.943  -9.701   2.537
 1900   2HB   LEU 102          3HB       LEU 102 -13.372 -10.052   3.489
 1901    HG   LEU 102           HG       LEU 102 -10.985  -8.399   4.247
 1902   1HD1  LEU 102          1HD1      LEU 102 -13.736  -7.931   3.488
 1903   2HD1  LEU 102          2HD1      LEU 102 -13.347  -7.194   5.041
 1904   3HD1  LEU 102          3HD1      LEU 102 -12.390  -6.800   3.613
 1905   1HD2  LEU 102          1HD2      LEU 102 -12.668 -10.047   5.976
 1906   2HD2  LEU 102          2HD2      LEU 102 -11.110  -9.284   6.298
 1907   3HD2  LEU 102          3HD2      LEU 102 -12.595  -8.349   6.446
 1908    H    ARG 103           H        ARG 103 -11.672 -12.279   1.642
 1909    HA   ARG 103           HA       ARG 103 -14.124 -13.666   1.740
 1910   1HB   ARG 103          2HB       ARG 103 -13.427 -14.776  -0.309
 1911   2HB   ARG 103          3HB       ARG 103 -13.037 -13.065  -0.380
 1912   1HG   ARG 103          2HG       ARG 103 -11.054 -13.794  -1.127
 1913   2HG   ARG 103          3HG       ARG 103 -10.718 -14.089   0.577
 1914   1HD   ARG 103          2HD       ARG 103 -10.273 -16.161  -0.087
 1915   2HD   ARG 103          3HD       ARG 103 -12.022 -16.347  -0.105
 1916    HE   ARG 103           HE       ARG 103 -10.281 -15.947  -2.439
 1917   1HH1  ARG 103          1HH1      ARG 103 -13.445 -16.696  -1.126
 1918   2HH1  ARG 103          2HH1      ARG 103 -14.099 -17.184  -2.661
 1919   1HH2  ARG 103          1HH2      ARG 103 -11.121 -16.607  -4.423
 1920   2HH2  ARG 103          2HH2      ARG 103 -12.771 -17.140  -4.536
 1921    H    GLU 104           H        GLU 104 -10.953 -14.476   2.821
 1922    HA   GLU 104           HA       GLU 104 -11.326 -17.291   3.099
 1923   1HB   GLU 104          2HB       GLU 104  -9.260 -15.336   3.643
 1924   2HB   GLU 104          3HB       GLU 104  -9.404 -16.498   4.955
 1925   1HG   GLU 104          2HG       GLU 104  -8.382 -18.062   3.774
 1926   2HG   GLU 104          3HG       GLU 104  -9.474 -17.830   2.409
 1927    H    TYR 105           H        TYR 105 -12.732 -14.737   4.696
 1928    HA   TYR 105           HA       TYR 105 -12.976 -16.241   7.210
 1929   1HB   TYR 105          HB2       TYR 105 -13.594 -13.334   6.649
 1930   2HB   TYR 105          HB3       TYR 105 -13.774 -14.134   8.208
 1931    HD1  TYR 105           HD1      TYR 105 -11.308 -15.808   8.180
 1932    HD2  TYR 105           HD2      TYR 105 -11.910 -11.733   7.119
 1933    HE1  TYR 105           HE1      TYR 105  -8.952 -15.336   8.685
 1934    HE2  TYR 105           HE2      TYR 105  -9.548 -11.252   7.630
 1935    HH   TYR 105           HH       TYR 105  -7.251 -13.637   7.937
 1936    H    GLY 106           H        GLY 106 -14.536 -15.664   4.341
 1937   1HA   GLY 106          1HA       GLY 106 -16.514 -16.991   3.945
 1938   2HA   GLY 106          2HA       GLY 106 -17.074 -16.548   5.551
 1939    H    PHE 107           H        PHE 107 -15.668 -13.990   3.804
 1940    HA   PHE 107           HA       PHE 107 -18.025 -12.469   3.805
 1941   1HB   PHE 107          2HB       PHE 107 -15.282 -12.142   2.745
 1942   2HB   PHE 107          3HB       PHE 107 -16.526 -11.164   1.971
 1943    HD1  PHE 107           HD1      PHE 107 -14.957 -11.956   5.227
 1944    HD2  PHE 107           HD2      PHE 107 -17.407  -9.254   3.032
 1945    HE1  PHE 107           HE1      PHE 107 -14.836 -10.341   7.084
 1946    HE2  PHE 107           HE2      PHE 107 -17.288  -7.637   4.885
 1947    HZ   PHE 107           HZ       PHE 107 -16.003  -8.181   6.912
 1948    H    LYS 108           H        LYS 108 -19.673 -12.416   2.516
 1949    HA   LYS 108           HA       LYS 108 -20.203 -14.358   0.654
 1950   1HB   LYS 108          2HB       LYS 108 -21.538 -12.112   1.767
 1951   2HB   LYS 108          3HB       LYS 108 -21.800 -12.079   0.029
 1952   1HG   LYS 108          2HG       LYS 108 -22.206 -14.732   0.773
 1953   2HG   LYS 108          3HG       LYS 108 -22.984 -13.768   2.031
 1954   1HD   LYS 108          2HD       LYS 108 -23.414 -13.254  -0.899
 1955   2HD   LYS 108          3HD       LYS 108 -24.408 -14.384   0.022
 1956   1HE   LYS 108          2HE       LYS 108 -25.209 -12.667   1.440
 1957   2HE   LYS 108          3HE       LYS 108 -23.998 -11.524   0.858
 1958   1HZ   LYS 108          HZ1       LYS 108 -25.171 -11.973  -1.412
 1959   2HZ   LYS 108          HZ2       LYS 108 -26.479 -12.423  -0.428
 1960   3HZ   LYS 108          HZ3       LYS 108 -25.827 -10.861  -0.313
 1961    H    THR 109           H        THR 109 -20.239 -10.977  -0.331
 1962    HA   THR 109           HA       THR 109 -19.113 -11.806  -2.918
 1963    HB   THR 109           HB       THR 109 -20.586  -9.290  -2.892
 1964    HG1  THR 109           HG1      THR 109 -22.583 -10.955  -2.791
 1965   1HG2  THR 109          1HG2      THR 109 -20.141 -11.591  -4.589
 1966   2HG2  THR 109          2HG2      THR 109 -21.848 -11.149  -4.549
 1967   3HG2  THR 109          3HG2      THR 109 -20.639  -9.956  -5.026
 1968    H    ILE 110           H        ILE 110 -17.007 -11.242  -2.881
 1969    HA   ILE 110           HA       ILE 110 -16.349  -8.561  -1.886
 1970    HB   ILE 110           HB       ILE 110 -15.425 -10.530  -0.631
 1971   1HG1  ILE 110          2HG1      ILE 110 -13.000  -9.161  -1.538
 1972   2HG1  ILE 110          3HG1      ILE 110 -14.335  -8.078  -1.148
 1973   1HG2  ILE 110          1HG2      ILE 110 -14.445 -11.241  -3.245
 1974   2HG2  ILE 110          2HG2      ILE 110 -13.122 -11.121  -2.083
 1975   3HG2  ILE 110          3HG2      ILE 110 -14.488 -12.192  -1.760
 1976   1HD1  ILE 110          1HD1      ILE 110 -13.383 -10.244   0.701
 1977   2HD1  ILE 110          2HD1      ILE 110 -12.760  -8.593   0.732
 1978   3HD1  ILE 110          3HD1      ILE 110 -14.465  -8.898   1.066
 1979    H    TYR 111           H        TYR 111 -15.590  -7.112  -3.272
 1980    HA   TYR 111           HA       TYR 111 -14.784  -8.062  -5.941
 1981   1HB   TYR 111          HB2       TYR 111 -15.734  -5.262  -5.435
 1982   2HB   TYR 111          HB3       TYR 111 -15.818  -6.215  -6.911
 1983    HD1  TYR 111           HD1      TYR 111 -17.368  -5.677  -3.598
 1984    HD2  TYR 111           HD2      TYR 111 -17.718  -7.569  -7.393
 1985    HE1  TYR 111           HE1      TYR 111 -19.716  -6.207  -3.108
 1986    HE2  TYR 111           HE2      TYR 111 -20.070  -8.103  -6.912
 1987    HH   TYR 111           HH       TYR 111 -21.745  -6.756  -4.209
 1988    H    ASN 112           H        ASN 112 -12.999  -7.180  -6.941
 1989    HA   ASN 112           HA       ASN 112 -11.314  -5.396  -5.296
 1990   1HB   ASN 112          2HB       ASN 112 -10.692  -7.904  -6.555
 1991   2HB   ASN 112          3HB       ASN 112  -9.744  -6.630  -7.317
 1992   1HD2  ASN 112          1HD2      ASN 112  -8.078  -5.704  -6.200
 1993   2HD2  ASN 112          2HD2      ASN 112  -7.588  -6.217  -4.622
 1994    H    SER 113           H        SER 113 -10.436  -3.597  -6.312
 1995    HA   SER 113           HA       SER 113 -11.997  -2.671  -8.500
 1996   1HB   SER 113          2HB       SER 113 -10.787  -0.554  -8.166
 1997   2HB   SER 113          3HB       SER 113 -11.344  -1.221  -6.631
 1998    HG   SER 113           HG       SER 113  -8.794  -1.961  -7.465
 1999    H    GLU 114           H        GLU 114 -11.564  -2.613 -10.594
 2000    HA   GLU 114           HA       GLU 114  -8.943  -3.556 -11.514
 2001   1HB   GLU 114          2HB       GLU 114 -11.665  -3.843 -12.459
 2002   2HB   GLU 114          3HB       GLU 114 -10.609  -3.262 -13.740
 2003   1HG   GLU 114          2HG       GLU 114  -9.900  -5.637 -12.055
 2004   2HG   GLU 114          3HG       GLU 114 -10.907  -5.777 -13.493
 2005    H    GLY 115           H        GLY 115 -10.059  -0.719 -10.730
 2006   1HA   GLY 115          1HA       GLY 115  -8.712   0.636 -12.979
 2007   2HA   GLY 115          2HA       GLY 115 -10.099   1.338 -12.155
 2008    H    GLY 116           H        GLY 116  -9.839   2.341 -10.221
 2009   1HA   GLY 116          1HA       GLY 116  -7.960   2.201  -8.315
 2010   2HA   GLY 116          2HA       GLY 116  -7.128   3.119  -9.563
 2011    H    MET 117           H        MET 117  -7.395   4.365  -7.232
 2012    HA   MET 117           HA       MET 117  -9.793   5.779  -6.803
 2013   1HB   MET 117          2HB       MET 117  -8.054   5.619  -5.098
 2014   2HB   MET 117          3HB       MET 117  -6.951   6.544  -6.105
 2015   1HG   MET 117          2HG       MET 117  -8.330   8.506  -5.895
 2016   2HG   MET 117          3HG       MET 117  -9.549   7.595  -5.007
 2017   1HE   MET 117          1HE       MET 117  -9.205   6.438  -2.909
 2018   2HE   MET 117          2HE       MET 117  -8.237   7.070  -1.579
 2019   3HE   MET 117          3HE       MET 117  -9.564   8.028  -2.235
 2020    H    ASP 118           H        ASP 118  -7.013   6.388  -8.838
 2021    HA   ASP 118           HA       ASP 118  -7.633   9.026  -9.609
 2022   1HB   ASP 118          2HB       ASP 118  -6.338   8.235 -11.771
 2023   2HB   ASP 118          3HB       ASP 118  -5.487   8.466 -10.249
 2024    H    LYS 119           H        LYS 119  -8.769   5.873 -10.680
 2025    HA   LYS 119           HA       LYS 119 -10.151   6.830 -12.982
 2026   1HB   LYS 119          2HB       LYS 119  -9.672   4.302 -11.652
 2027   2HB   LYS 119          3HB       LYS 119 -11.361   4.457 -12.115
 2028   1HG   LYS 119          2HG       LYS 119 -10.032   3.349 -13.836
 2029   2HG   LYS 119          3HG       LYS 119 -10.735   4.861 -14.413
 2030   1HD   LYS 119          2HD       LYS 119  -8.170   5.401 -13.276
 2031   2HD   LYS 119          3HD       LYS 119  -8.021   4.071 -14.430
 2032   1HE   LYS 119          2HE       LYS 119  -8.794   6.905 -14.881
 2033   2HE   LYS 119          3HE       LYS 119  -7.755   5.855 -15.840
 2034   1HZ   LYS 119          HZ1       LYS 119 -10.360   4.813 -15.909
 2035   2HZ   LYS 119          HZ2       LYS 119 -10.455   6.475 -16.248
 2036   3HZ   LYS 119          HZ3       LYS 119  -9.458   5.473 -17.184
 2037    H    TRP 120           H        TRP 120 -10.924   6.358  -9.586
 2038    HA   TRP 120           HA       TRP 120 -13.723   6.576  -9.752
 2039   1HB   TRP 120          HB2       TRP 120 -12.290   5.963  -7.704
 2040   2HB   TRP 120          HB3       TRP 120 -12.098   7.699  -7.470
 2041    HD1  TRP 120           HD1      TRP 120 -14.185   9.053  -6.595
 2042    HE1  TRP 120           HE1      TRP 120 -16.426   8.360  -5.540
 2043    HE3  TRP 120           HE3      TRP 120 -14.090   4.069  -7.715
 2044    HZ2  TRP 120           HZ2      TRP 120 -17.936   6.000  -5.204
 2045    HZ3  TRP 120           HZ3      TRP 120 -15.967   2.661  -6.982
 2046    HH2  TRP 120           HH2      TRP 120 -17.850   3.607  -5.750
 2047    H    LEU 121           H        LEU 121 -11.237   9.083  -9.180
 2048    HA   LEU 121           HA       LEU 121 -12.988  11.281  -9.243
 2049   1HB   LEU 121          2HB       LEU 121 -10.039  10.938  -9.704
 2050   2HB   LEU 121          3HB       LEU 121 -10.803  12.497  -9.930
 2051    HG   LEU 121           HG       LEU 121 -11.084  11.026  -7.322
 2052   1HD1  LEU 121          1HD1      LEU 121  -8.679  12.268  -8.447
 2053   2HD1  LEU 121          2HD1      LEU 121  -9.124  12.833  -6.837
 2054   3HD1  LEU 121          3HD1      LEU 121  -8.854  11.114  -7.126
 2055   1HD2  LEU 121          1HD2      LEU 121 -12.211  13.324  -8.302
 2056   2HD2  LEU 121          2HD2      LEU 121 -12.035  12.915  -6.595
 2057   3HD2  LEU 121          3HD2      LEU 121 -10.830  13.934  -7.388
 2058    H    GLU 122           H        GLU 122 -11.162   9.610 -11.760
 2059    HA   GLU 122           HA       GLU 122 -11.587  11.478 -13.819
 2060   1HB   GLU 122          2HB       GLU 122  -9.936   9.444 -13.588
 2061   2HB   GLU 122          3HB       GLU 122 -11.219   8.577 -14.421
 2062   1HG   GLU 122          2HG       GLU 122 -10.806  10.990 -15.820
 2063   2HG   GLU 122          3HG       GLU 122  -9.220  10.293 -15.496
 2064    H    GLU 123           H        GLU 123 -13.363   8.509 -12.983
 2065    HA   GLU 123           HA       GLU 123 -15.068   8.657 -15.261
 2066   1HB   GLU 123          2HB       GLU 123 -15.468   7.127 -12.685
 2067   2HB   GLU 123          3HB       GLU 123 -16.354   6.866 -14.180
 2068   1HG   GLU 123          2HG       GLU 123 -13.420   6.696 -14.383
 2069   2HG   GLU 123          3HG       GLU 123 -14.199   5.443 -13.423
 2070    H    GLY 124           H        GLY 124 -14.933  10.684 -12.728
 2071   1HA   GLY 124          1HA       GLY 124 -16.340  12.423 -12.167
 2072   2HA   GLY 124          2HA       GLY 124 -17.504  11.788 -13.321
 2073    H    LEU 125           H        LEU 125 -16.263   9.730 -10.846
 2074    HA   LEU 125           HA       LEU 125 -18.895   9.363  -9.753
 2075   1HB   LEU 125          2HB       LEU 125 -16.234   8.242  -8.861
 2076   2HB   LEU 125          3HB       LEU 125 -17.809   7.696  -8.314
 2077    HG   LEU 125           HG       LEU 125 -16.817   7.510 -11.162
 2078   1HD1  LEU 125          1HD1      LEU 125 -15.651   6.063  -9.448
 2079   2HD1  LEU 125          2HD1      LEU 125 -17.202   5.251  -9.227
 2080   3HD1  LEU 125          3HD1      LEU 125 -16.412   5.227 -10.804
 2081   1HD2  LEU 125          1HD2      LEU 125 -19.425   7.359 -10.048
 2082   2HD2  LEU 125          2HD2      LEU 125 -18.923   7.077 -11.714
 2083   3HD2  LEU 125          3HD2      LEU 125 -18.954   5.740 -10.565
 2084    HA   PRO 126           HA       PRO 126 -18.856  12.188  -6.418
 2085   1HB   PRO 126          2HB       PRO 126 -19.757  10.737  -4.288
 2086   2HB   PRO 126          3HB       PRO 126 -20.797  11.261  -5.618
 2087   1HG   PRO 126          2HG       PRO 126 -19.452   8.609  -5.204
 2088   2HG   PRO 126          3HG       PRO 126 -21.132   8.949  -5.676
 2089   1HD   PRO 126          2HD       PRO 126 -19.310   8.265  -7.504
 2090   2HD   PRO 126          3HD       PRO 126 -20.534   9.504  -7.859
 2091    H    SER 127           H        SER 127 -17.238  13.058  -5.245
 2092    HA   SER 127           HA       SER 127 -15.509  11.253  -3.712
 2093   1HB   SER 127          2HB       SER 127 -13.752  13.150  -4.490
 2094   2HB   SER 127          3HB       SER 127 -14.020  11.658  -5.395
 2095    HG   SER 127           HG       SER 127 -14.548  12.941  -6.980
 2096    H    LEU 128           H        LEU 128 -14.576  12.145  -1.858
 2097    HA   LEU 128           HA       LEU 128 -15.879  14.568  -0.840
 2098   1HB   LEU 128          2HB       LEU 128 -14.251  12.439   0.558
 2099   2HB   LEU 128          3HB       LEU 128 -14.889  13.868   1.346
 2100    HG   LEU 128           HG       LEU 128 -16.818  12.116  -0.078
 2101   1HD1  LEU 128          1HD1      LEU 128 -15.001  11.009   1.728
 2102   2HD1  LEU 128          2HD1      LEU 128 -16.488  11.251   2.647
 2103   3HD1  LEU 128          3HD1      LEU 128 -16.516  10.303   1.161
 2104   1HD2  LEU 128          1HD2      LEU 128 -16.799  13.887   2.341
 2105   2HD2  LEU 128          2HD2      LEU 128 -17.803  13.988   0.894
 2106   3HD2  LEU 128          3HD2      LEU 128 -18.087  12.711   2.078
 2107    H    ASP 129           H        ASP 129 -14.794  16.323  -1.457
 2108    HA   ASP 129           HA       ASP 129 -11.912  16.424  -0.917
 2109   1HB   ASP 129          2HB       ASP 129 -11.351  17.136  -3.030
 2110   2HB   ASP 129          3HB       ASP 129 -12.727  16.120  -3.441
 2111    H    ARG 130           H        ARG 130 -11.105  18.645  -0.645
 2112    HA   ARG 130           HA       ARG 130 -13.020  20.235   0.797
 2113   1HB   ARG 130          2HB       ARG 130 -10.227  19.861   0.860
 2114   2HB   ARG 130          3HB       ARG 130 -10.480  21.543   0.414
 2115   1HG   ARG 130          2HG       ARG 130 -12.128  21.563   2.417
 2116   2HG   ARG 130          3HG       ARG 130 -11.253  20.115   2.920
 2117   1HD   ARG 130          2HD       ARG 130 -10.102  21.817   3.994
 2118   2HD   ARG 130          3HD       ARG 130  -9.137  21.541   2.544
 2119    HE   ARG 130           HE       ARG 130 -11.095  23.739   2.795
 2120   1HH1  ARG 130          1HH1      ARG 130  -7.958  22.517   1.808
 2121   2HH1  ARG 130          2HH1      ARG 130  -7.484  24.005   1.039
 2122   1HH2  ARG 130          1HH2      ARG 130 -10.452  25.697   1.823
 2123   2HH2  ARG 130          2HH2      ARG 130  -8.896  25.816   1.056
 2124    H    SER 131           H        SER 131 -14.299  20.522  -1.217
 2125    HA   SER 131           HA       SER 131 -13.366  22.019  -3.388
 2126   1HB   SER 131          2HB       SER 131 -16.234  22.270  -2.815
 2127   2HB   SER 131          3HB       SER 131 -15.420  21.594  -4.228
 2128    HG   SER 131           HG       SER 131 -15.103  19.663  -3.079
 2129    H    HIS 132           H        HIS 132 -13.952  24.167  -4.048
 2130    HA   HIS 132           HA       HIS 132 -13.550  26.066  -1.935
 2131   1HB   HIS 132          2HB       HIS 132 -13.016  25.965  -4.668
 2132   2HB   HIS 132          3HB       HIS 132 -14.231  27.227  -4.510
 2133    HD1  HIS 132           HD1      HIS 132 -10.940  26.293  -2.814
 2134    HD2  HIS 132           HD2      HIS 132 -13.135  29.634  -3.980
 2135    HE1  HIS 132           HE1      HIS 132  -9.501  28.283  -2.261
 2136    HE2  HIS 132           HE2      HIS 132 -10.780  30.275  -3.123
 2137    H    HIS 133           H        HIS 133 -16.149  24.575  -2.054
 2138    HA   HIS 133           HA       HIS 133 -18.153  26.519  -2.740
 2139   1HB   HIS 133          2HB       HIS 133 -18.314  23.904  -2.679
 2140   2HB   HIS 133          3HB       HIS 133 -18.696  24.155  -0.980
 2141    HD1  HIS 133           HD1      HIS 133 -20.972  25.280  -0.419
 2142    HD2  HIS 133           HD2      HIS 133 -20.305  24.674  -4.484
 2143    HE1  HIS 133           HE1      HIS 133 -23.194  25.637  -1.535
 2144    HE2  HIS 133           HE2      HIS 133 -22.708  25.504  -4.001
 2145    H    HIS 134           H        HIS 134 -16.188  25.906  -0.043
 2146    HA   HIS 134           HA       HIS 134 -15.991  26.835   2.012
 2147   1HB   HIS 134          2HB       HIS 134 -17.468  28.836   0.509
 2148   2HB   HIS 134          3HB       HIS 134 -17.906  28.855   2.211
 2149    HD1  HIS 134           HD1      HIS 134 -14.865  27.989   3.060
 2150    HD2  HIS 134           HD2      HIS 134 -16.072  31.257   0.777
 2151    HE1  HIS 134           HE1      HIS 134 -13.016  29.685   3.262
 2152    HE2  HIS 134           HE2      HIS 134 -13.862  31.723   2.041
 2153    H    HIS 135           H        HIS 135 -16.961  24.728   2.513
 2154    HA   HIS 135           HA       HIS 135 -19.577  25.009   3.840
 2155   1HB   HIS 135          2HB       HIS 135 -19.596  23.438   1.922
 2156   2HB   HIS 135          3HB       HIS 135 -18.295  22.522   2.669
 2157    HD1  HIS 135           HD1      HIS 135 -21.815  23.616   3.664
 2158    HD2  HIS 135           HD2      HIS 135 -19.242  20.364   3.972
 2159    HE1  HIS 135           HE1      HIS 135 -23.137  21.813   4.815
 2160    HE2  HIS 135           HE2      HIS 135 -21.631  19.793   4.782
 2161    H    HIS 136           H        HIS 136 -19.169  25.297   5.963
 2162    HA   HIS 136           HA       HIS 136 -16.759  24.450   7.170
 2163   1HB   HIS 136          2HB       HIS 136 -17.592  25.345   9.227
 2164   2HB   HIS 136          3HB       HIS 136 -18.095  26.419   7.933
 2165    HD1  HIS 136           HD1      HIS 136 -20.618  26.654   7.499
 2166    HD2  HIS 136           HD2      HIS 136 -19.677  24.000  10.563
 2167    HE1  HIS 136           HE1      HIS 136 -22.777  26.230   8.717
 2168    HE2  HIS 136           HE2      HIS 136 -22.166  24.716  10.635
 2169    H    HIS 137           H        HIS 137 -16.215  22.722   8.305
 2170    HA   HIS 137           HA       HIS 137 -18.145  20.520   8.433
 2171   1HB   HIS 137          2HB       HIS 137 -15.879  20.315   7.238
 2172   2HB   HIS 137          3HB       HIS 137 -15.158  20.330   8.841
 2173    HD1  HIS 137           HD1      HIS 137 -17.348  18.462  10.186
 2174    HD2  HIS 137           HD2      HIS 137 -15.301  17.706   6.645
 2175    HE1  HIS 137           HE1      HIS 137 -17.376  15.957   9.902
 2176    HE2  HIS 137           HE2      HIS 137 -15.962  15.517   7.859