*HEADER    PROTEIN BINDING                         17-JUN-05   2CWB              
*TITLE     SOLUTION STRUCTURE OF THE UBIQUITIN-ASSOCIATED DOMAIN OF              
*TITLE    2 HUMAN BMSC-UBP AND ITS COMPLEX WITH UBIQUITIN                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHIMERA OF IMMUNOGLOBULIN G BINDING PROTEIN G              
*COMPND   3 AND UBIQUITIN-LIKE PROTEIN SB132;                                    
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: C-TERMINAL UBA DOMAIN;                                     
*COMPND   6 SYNONYM: BONE MARROW STROMAL CELL UBIQUITIN-LIKE PROTEIN,            
*COMPND   7 BMSC-UBP, MGC14421;                                                  
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES;                                                       
*COMPND  10 OTHER_DETAILS: A SOLUBILITY-ENHANCEMENT TAG (SET) GB1,               
*COMPND  11 IMMUNOGLOBULIN G BINDING DOMAIN 1 OF STREPTOCOCCAL PROTEIN           
*COMPND  12 G, WAS USED TO ENHANCE THE SOLUBILITY OF THE UBA DOMAIN OF           
*COMPND  13 BMSC-UBP. THE SEQUENCE OF THE CHIMERICAL HGB1-UBA IS AS              
*COMPND  14 FOLLOWS:MHHHHHHQYKLALNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTY          
*COMPND  15 DDATKTFTVTEGSQWQPQLQQLRDMGIQDDELSLRALQATGGDIQAALELIFAGGAP.           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. AND HOMO SAPIENS;             
*SOURCE   3 ORGANISM_COMMON: BACTERIA AND HUMAN;                                 
*SOURCE   4 GENE: BMSC-UBP;                                                      
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PHGB                                      
*KEYWDS    HELICAL BUNDLE                                                        
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Y.G.CHANG, A.X.SONG, Y.G.GAO, Y.H.SHI, X.J.LIN, X.T.CAO,              
*AUTHOR   2 D.H.LIN, H.Y.HU                                                      
*REVDAT   1   06-JUN-06 2CWB    0                                                

ambig.tbl0100664000076400007640000001412710254440316011601 0ustar  changchang ASSI {    4}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.700     1.700     1.700 peak     4 spectrum    2 weight  0.10000E+01 volume  0.34157E-03 ppm1      8.265 ppm2      2.211 CV     1
 OR {    4}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI {    8}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.600     2.600     1.400 peak     8 spectrum    2 weight  0.10000E+01 volume  0.92956E-04 ppm1      8.593 ppm2      2.417 CV     1
 OR {    8}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {    8}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {    9}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.900     1.900     1.900 peak     9 spectrum    2 weight  0.10000E+01 volume  0.23089E-03 ppm1      8.095 ppm2      0.662 CV     1
 OR {    9}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
 ASSI {   11}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      4.300     2.300     1.700 peak    11 spectrum    2 weight  0.10000E+01 volume  0.13354E-03 ppm1      8.092 ppm2      0.321 CV     1
 OR {   11}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
 OR {   11}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 OR {   11}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   14}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 102  and name HG11))
      3.300     1.300     1.300 peak    14 spectrum    2 weight  0.10000E+01 volume  0.69213E-03 ppm1      8.321 ppm2      0.651 CV     1
 OR {   14}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
 ASSI {   18}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.800     1.800     1.800 peak    18 spectrum    2 weight  0.10000E+01 volume  0.29983E-03 ppm1      7.620 ppm2      2.888 CV     1
 OR {   18}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI {   29}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.900     1.900     1.900 peak    29 spectrum    2 weight  0.10000E+01 volume  0.25557E-03 ppm1      8.485 ppm2      1.890 CV     1
 OR {   29}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {   36}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
      3.100     3.100     2.900 peak    36 spectrum    2 weight  0.10000E+01 volume  0.98788E-03 ppm1      8.246 ppm2      0.861 CV     1
 OR {   36}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 95   and name HD1%)
 OR {   36}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI {   37}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 102  and name HG11))
      3.200     1.200     1.200 peak    37 spectrum    2 weight  0.10000E+01 volume  0.86376E-03 ppm1      8.248 ppm2      0.661 CV     1
 OR {   37}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
 ASSI {   49}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.800     1.800     1.800 peak    49 spectrum    2 weight  0.10000E+01 volume  0.27278E-03 ppm1      8.412 ppm2      1.196 CV     1
 OR {   49}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 95   and name HG11))
 ASSI {   50}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.600     1.600     1.600 peak    50 spectrum    2 weight  0.10000E+01 volume  0.43001E-03 ppm1      8.488 ppm2      2.109 CV     1
 OR {   50}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
 OR {   50}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
 ASSI {   51}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.500     1.600     1.600 peak    51 spectrum    2 weight  0.10000E+01 volume  0.43181E-03 ppm1      8.340 ppm2      1.012 CV     1
 OR {   51}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
 ASSI {   54}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      2.700     0.900     0.900 peak    54 spectrum    2 weight  0.10000E+01 volume  0.23897E-02 ppm1      8.347 ppm2      1.426 CV     1
 OR {   54}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 87   and name HB% )
 ASSI {   55}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.600     1.600     1.600 peak    55 spectrum    2 weight  0.10000E+01 volume  0.40720E-03 ppm1      8.343 ppm2      0.332 CV     1
 OR {   55}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 OR {   55}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   58}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 102  and name HB  ))
      3.200     1.300     1.300 peak    58 spectrum    2 weight  0.10000E+01 volume  0.77420E-03 ppm1      7.420 ppm2      1.634 CV     1
 OR {   58}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HG  ))
 OR {   58}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HG  ))
unambig.tbl0100664000076400007640000072073710254440316012157 0ustar  changchang ASSI {    3}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.300     0.600     0.600 peak     3 spectrum    1 weight  0.11000E+01 volume  0.63019E-02 ppm1      4.372 ppm2      3.648 CV     1
 ASSI {    4}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.200     0.600     0.600 peak     4 spectrum    1 weight  0.11000E+01 volume  0.82399E-02 ppm1      4.372 ppm2      3.848 CV     1
 ASSI {    8}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      1.800     0.400     0.400 peak     8 spectrum    1 weight  0.11000E+01 volume  0.30300E-01 ppm1      3.844 ppm2      3.651 CV     1
 ASSI {    9}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
      2.300     0.700     0.700 peak     9 spectrum    1 weight  0.11000E+01 volume  0.59572E-02 ppm1      4.047 ppm2      1.425 CV     1
 ASSI {   10}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG1 ))
      2.100     0.500     0.500 peak    10 spectrum    1 weight  0.11000E+01 volume  0.10461E-01 ppm1      4.047 ppm2      1.561 CV     1
 OR {   10}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG2 ))
 ASSI {   12}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HB2 ))
      1.800     0.400     0.400 peak    12 spectrum    1 weight  0.11000E+01 volume  0.27554E-01 ppm1      1.426 ppm2      1.560 CV     1
 ASSI {   13}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.500     0.800     0.800 peak    13 spectrum    1 weight  0.11000E+01 volume  0.33661E-02 ppm1      1.569 ppm2      4.051 CV     1
 ASSI {   15}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.600     0.900     0.900 peak    15 spectrum    1 weight  0.11000E+01 volume  0.26881E-02 ppm1      5.170 ppm2      3.084 CV     1
 ASSI {   16}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak    16 spectrum    1 weight  0.11000E+01 volume  0.46771E-02 ppm1      5.170 ppm2      3.483 CV     1
 ASSI {   17}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 68   and name HD2 ))
      3.000     1.100     1.100 peak    17 spectrum    1 weight  0.11000E+01 volume  0.13036E-02 ppm1      5.170 ppm2      3.851 CV     1
 ASSI {   18}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      3.200     3.200     2.800 peak    18 spectrum    1 weight  0.11000E+01 volume  0.76258E-03 ppm1      5.159 ppm2      4.073 CV     1
 ASSI {   19}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.200     1.300     1.300 peak    19 spectrum    1 weight  0.11000E+01 volume  0.86682E-03 ppm1      5.174 ppm2      2.433 CV     1
 ASSI {   20}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 85   and name HD2%)
      4.400     2.400     1.600 peak    20 spectrum    1 weight  0.11000E+01 volume  0.12167E-03 ppm1      5.160 ppm2      0.980 CV     1
 ASSI {   21}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
      3.400     3.400     2.600 peak    21 spectrum    1 weight  0.11000E+01 volume  0.57457E-03 ppm1      5.173 ppm2      1.544 CV     1
 OR {   21}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {   22}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
      4.600     2.700     1.400 peak    22 spectrum    1 weight  0.11000E+01 volume  0.92302E-04 ppm1      5.168 ppm2      0.329 CV     1
 ASSI {   23}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
      3.400     1.400     1.400 peak    23 spectrum    1 weight  0.11000E+01 volume  0.56457E-03 ppm1      5.162 ppm2      0.670 CV     1
 ASSI {   25}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      2.200     0.600     0.600 peak    25 spectrum    1 weight  0.11000E+01 volume  0.85692E-02 ppm1      3.084 ppm2      3.486 CV     1
 ASSI {   26}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 68   and name HD2 ))
      3.700     1.800     1.800 peak    26 spectrum    1 weight  0.11000E+01 volume  0.32048E-03 ppm1      3.089 ppm2      3.882 CV     1
 ASSI {   27}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      3.500     1.500     1.500 peak    27 spectrum    1 weight  0.11000E+01 volume  0.51258E-03 ppm1      3.079 ppm2      2.439 CV     1
 ASSI {   28}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 85   and name HD1%)
      3.100     1.200     1.200 peak    28 spectrum    1 weight  0.11000E+01 volume  0.90641E-03 ppm1      3.085 ppm2      0.962 CV     1
 ASSI {   29}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 88   and name HB1 ))
      3.800     3.800     2.200 peak    29 spectrum    1 weight  0.11000E+01 volume  0.28613E-03 ppm1      3.082 ppm2      1.534 CV     1
 OR {   29}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {   31}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 88   and name HD2%)
      3.600     1.700     1.700 peak    31 spectrum    1 weight  0.11000E+01 volume  0.37584E-03 ppm1      3.090 ppm2      0.339 CV     1
 ASSI {   35}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 68   and name HD2 ))
      3.700     1.700     1.700 peak    35 spectrum    1 weight  0.11000E+01 volume  0.37104E-03 ppm1      3.487 ppm2      3.884 CV     1
 ASSI {   37}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 69   and name HB2 ))
      3.100     1.200     1.200 peak    37 spectrum    1 weight  0.11000E+01 volume  0.10200E-02 ppm1      3.489 ppm2      2.430 CV     1
 ASSI {   38}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 85   and name HD1%)
      3.300     1.400     1.400 peak    38 spectrum    1 weight  0.11000E+01 volume  0.66018E-03 ppm1      3.478 ppm2      0.956 CV     1
 ASSI {   39}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 88   and name HB1 ))
      3.400     3.400     2.600 peak    39 spectrum    1 weight  0.11000E+01 volume  0.60527E-03 ppm1      3.484 ppm2      1.535 CV     1
 OR {   39}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {   40}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 88   and name HD2%)
      3.300     1.400     1.400 peak    40 spectrum    1 weight  0.11000E+01 volume  0.65667E-03 ppm1      3.485 ppm2      0.336 CV     1
 OR {   40}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   42}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.200     0.600     0.600 peak    42 spectrum    1 weight  0.11000E+01 volume  0.78437E-02 ppm1      4.098 ppm2      2.249 CV     1
 OR {   42}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {   43}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.400     0.700     0.700 peak    43 spectrum    1 weight  0.11000E+01 volume  0.52035E-02 ppm1      4.100 ppm2      2.450 CV     1
 OR {   43}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {   44}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.500     2.500     3.500 peak    44 spectrum    1 weight  0.11000E+01 volume  0.38019E-02 ppm1      4.099 ppm2      1.508 CV     1
 ASSI {   45}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.400     0.700     0.700 peak    45 spectrum    1 weight  0.11000E+01 volume  0.50925E-02 ppm1      4.099 ppm2      1.887 CV     1
 ASSI {   46}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.600     0.800     0.800 peak    46 spectrum    1 weight  0.11000E+01 volume  0.31413E-02 ppm1      2.199 ppm2      4.106 CV     1
 ASSI {   47}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.100     0.600     0.600 peak    47 spectrum    1 weight  0.11000E+01 volume  0.93654E-02 ppm1      2.198 ppm2      2.443 CV     1
 OR {   47}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {   49}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.600     0.800     0.800 peak    49 spectrum    1 weight  0.11000E+01 volume  0.29438E-02 ppm1      2.277 ppm2      4.103 CV     1
 ASSI {   50}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.100     0.600     0.600 peak    50 spectrum    1 weight  0.11000E+01 volume  0.91374E-02 ppm1      2.272 ppm2      2.435 CV     1
 OR {   50}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {   51}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HD1 ))
      2.600     0.800     0.800 peak    51 spectrum    1 weight  0.11000E+01 volume  0.31532E-02 ppm1      2.276 ppm2      3.832 CV     1
 ASSI {   53}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
      1.600     0.300     0.600 peak    53 spectrum    1 weight  0.11000E+01 volume  0.45275E-01 ppm1      2.445 ppm2      2.224 CV     1
 OR {   53}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
 OR {   53}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {   54}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 70   and name HB1 ))
      3.100     1.200     1.200 peak    54 spectrum    1 weight  0.11000E+01 volume  0.10207E-02 ppm1      2.440 ppm2      1.527 CV     1
 OR {   54}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 70   and name HB1 ))
 ASSI {   55}
   (( segid "    " and resid 67   and name HG2 ))
   (  segid "    " and resid 70   and name HD1%)
      3.100     1.200     1.200 peak    55 spectrum    1 weight  0.11000E+01 volume  0.95633E-03 ppm1      2.438 ppm2      0.854 CV     1
 OR {   55}
   (( segid "    " and resid 67   and name HG1 ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI {   56}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      2.500     0.800     0.800 peak    56 spectrum    1 weight  0.11000E+01 volume  0.34428E-02 ppm1      4.362 ppm2      1.825 CV     1
 ASSI {   57}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.200     0.600     0.600 peak    57 spectrum    1 weight  0.11000E+01 volume  0.79208E-02 ppm1      4.363 ppm2      2.369 CV     1
 ASSI {   58}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HD1 ))
      2.900     1.000     1.000 peak    58 spectrum    1 weight  0.11000E+01 volume  0.15158E-02 ppm1      4.362 ppm2      3.831 CV     1
 OR {   58}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HD2 ))
 ASSI {   60}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
      2.400     0.700     0.700 peak    60 spectrum    1 weight  0.11000E+01 volume  0.44441E-02 ppm1      4.363 ppm2      2.194 CV     1
 ASSI {   62}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HB2 ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.11000E+01 volume  0.12360E-01 ppm1      1.817 ppm2      2.364 CV     1
 ASSI {   63}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HD2 ))
      2.800     1.000     1.000 peak    63 spectrum    1 weight  0.11000E+01 volume  0.18759E-02 ppm1      1.822 ppm2      3.845 CV     1
 ASSI {   64}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG1 ))
      2.300     0.600     0.600 peak    64 spectrum    1 weight  0.11000E+01 volume  0.66707E-02 ppm1      1.818 ppm2      1.999 CV     1
 ASSI {   65}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG2 ))
      2.400     0.700     0.700 peak    65 spectrum    1 weight  0.11000E+01 volume  0.42979E-02 ppm1      1.818 ppm2      2.197 CV     1
 ASSI {   68}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD2 ))
      2.900     1.100     1.100 peak    68 spectrum    1 weight  0.11000E+01 volume  0.13835E-02 ppm1      2.364 ppm2      3.856 CV     1
 OR {   68}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD1 ))
 ASSI {   69}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG1 ))
      2.400     0.700     0.700 peak    69 spectrum    1 weight  0.11000E+01 volume  0.43524E-02 ppm1      2.364 ppm2      1.990 CV     1
 ASSI {   70}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
      2.500     0.800     0.800 peak    70 spectrum    1 weight  0.11000E+01 volume  0.38113E-02 ppm1      2.363 ppm2      2.191 CV     1
 ASSI {   71}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     1.400     1.400 peak    71 spectrum    1 weight  0.11000E+01 volume  0.64311E-03 ppm1      3.804 ppm2      5.181 CV     1
 ASSI {   72}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.300     0.600     0.600 peak    72 spectrum    1 weight  0.11000E+01 volume  0.63388E-02 ppm1      3.806 ppm2      2.221 CV     1
 ASSI {   73}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak    73 spectrum    1 weight  0.11000E+01 volume  0.65671E-03 ppm1      3.809 ppm2      4.368 CV     1
 ASSI {   74}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HB1 ))
      2.900     1.100     1.100 peak    74 spectrum    1 weight  0.11000E+01 volume  0.14444E-02 ppm1      3.815 ppm2      1.827 CV     1
 ASSI {   77}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.500     1.500 peak    77 spectrum    1 weight  0.11000E+01 volume  0.53261E-03 ppm1      3.871 ppm2      4.352 CV     1
 ASSI {   79}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HG1 ))
      2.600     0.900     0.900 peak    79 spectrum    1 weight  0.11000E+01 volume  0.26434E-02 ppm1      3.868 ppm2      1.983 CV     1
 ASSI {   80}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.000     1.100     1.100 peak    80 spectrum    1 weight  0.11000E+01 volume  0.11696E-02 ppm1      1.996 ppm2      4.363 CV     1
 ASSI {   83}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HD2 ))
      2.600     0.800     0.800 peak    83 spectrum    1 weight  0.11000E+01 volume  0.30758E-02 ppm1      2.002 ppm2      3.846 CV     1
 OR {   83}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HD1 ))
 ASSI {   84}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HG2 ))
      2.000     0.500     0.500 peak    84 spectrum    1 weight  0.11000E+01 volume  0.12500E-01 ppm1      1.992 ppm2      2.188 CV     1
 ASSI {   87}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HD1 ))
      2.400     2.400     3.600 peak    87 spectrum    1 weight  0.11000E+01 volume  0.41704E-02 ppm1      2.178 ppm2      3.847 CV     1
 ASSI {   89}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.300     0.600     0.600 peak    89 spectrum    1 weight  0.11000E+01 volume  0.66938E-02 ppm1      4.065 ppm2      1.765 CV     1
 ASSI {   91}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
      2.600     2.600     3.400 peak    91 spectrum    1 weight  0.11000E+01 volume  0.27359E-02 ppm1      4.067 ppm2      2.935 CV     1
 ASSI {   92}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.700     0.900     0.900 peak    92 spectrum    1 weight  0.11000E+01 volume  0.21602E-02 ppm1      4.067 ppm2      2.105 CV     1
 ASSI {   93}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 88   and name HD2%)
      3.300     1.400     1.400 peak    93 spectrum    1 weight  0.11000E+01 volume  0.69451E-03 ppm1      4.067 ppm2      0.338 CV     1
 OR {   93}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   94}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      3.400     1.400     1.400 peak    94 spectrum    1 weight  0.11000E+01 volume  0.56578E-03 ppm1      1.763 ppm2      3.485 CV     1
 ASSI {   96}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.100     0.600     0.600 peak    96 spectrum    1 weight  0.11000E+01 volume  0.94087E-02 ppm1      1.764 ppm2      2.437 CV     1
 ASSI {  100}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 95   and name HD1%)
      2.900     1.100     1.100 peak   100 spectrum    1 weight  0.11000E+01 volume  0.14082E-02 ppm1      1.761 ppm2      0.843 CV     1
 ASSI {  102}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.000     1.000 peak   102 spectrum    1 weight  0.11000E+01 volume  0.15974E-02 ppm1      2.419 ppm2      4.080 CV     1
 ASSI {  104}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HG2 ))
      2.600     0.900     0.900 peak   104 spectrum    1 weight  0.11000E+01 volume  0.26310E-02 ppm1      2.426 ppm2      2.938 CV     1
 ASSI {  108}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 66   and name HB2 ))
      3.600     1.600     1.600 peak   108 spectrum    1 weight  0.11000E+01 volume  0.41760E-03 ppm1      2.466 ppm2      3.499 CV     1
 ASSI {  109}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HA  ))
      2.500     0.800     0.800 peak   109 spectrum    1 weight  0.11000E+01 volume  0.33350E-02 ppm1      2.463 ppm2      4.069 CV     1
 ASSI {  110}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HB1 ))
      2.400     0.700     0.700 peak   110 spectrum    1 weight  0.11000E+01 volume  0.45785E-02 ppm1      2.467 ppm2      1.768 CV     1
 ASSI {  111}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HG2 ))
      2.000     0.500     0.500 peak   111 spectrum    1 weight  0.11000E+01 volume  0.12835E-01 ppm1      2.468 ppm2      2.936 CV     1
 ASSI {  112}
   (( segid "    " and resid 69   and name HG1 ))
   (  segid "    " and resid 88   and name HD2%)
      3.000     1.100     1.100 peak   112 spectrum    1 weight  0.11000E+01 volume  0.12618E-02 ppm1      2.465 ppm2      0.347 CV     1
 ASSI {  113}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 88   and name HG  ))
      3.500     1.600     1.600 peak   113 spectrum    1 weight  0.11000E+01 volume  0.45788E-03 ppm1      2.460 ppm2      0.678 CV     1
 ASSI {  114}
   (( segid "    " and resid 69   and name HG1 ))
   (  segid "    " and resid 95   and name HD1%)
      2.800     1.000     1.000 peak   114 spectrum    1 weight  0.11000E+01 volume  0.19475E-02 ppm1      2.465 ppm2      0.845 CV     1
 ASSI {  115}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 66   and name HB2 ))
      3.600     1.600     1.600 peak   115 spectrum    1 weight  0.11000E+01 volume  0.38917E-03 ppm1      2.935 ppm2      3.499 CV     1
 ASSI {  117}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HB1 ))
      2.400     0.700     0.700 peak   117 spectrum    1 weight  0.11000E+01 volume  0.41828E-02 ppm1      2.935 ppm2      1.766 CV     1
 ASSI {  120}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 88   and name HG  ))
      3.500     1.500     1.500 peak   120 spectrum    1 weight  0.11000E+01 volume  0.48297E-03 ppm1      2.938 ppm2      0.683 CV     1
 ASSI {  121}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 95   and name HD1%)
      2.800     1.000     1.000 peak   121 spectrum    1 weight  0.11000E+01 volume  0.16606E-02 ppm1      2.937 ppm2      0.841 CV     1
 ASSI {  124}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   124 spectrum    1 weight  0.11000E+01 volume  0.36349E-02 ppm1      1.518 ppm2      3.928 CV     1
 ASSI {  126}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   126 spectrum    1 weight  0.11000E+01 volume  0.35147E-02 ppm1      1.886 ppm2      3.937 CV     1
 ASSI {  127}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 70   and name HD1%)
      2.300     0.700     0.700 peak   127 spectrum    1 weight  0.11000E+01 volume  0.60850E-02 ppm1      1.882 ppm2      0.857 CV     1
 ASSI {  129}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
      2.800     2.800     3.200 peak   129 spectrum    1 weight  0.11000E+01 volume  0.18254E-02 ppm1      0.857 ppm2      3.498 CV     1
 ASSI {  130}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
      2.300     2.300     3.700 peak   130 spectrum    1 weight  0.11000E+01 volume  0.55796E-02 ppm1      0.856 ppm2      3.931 CV     1
 ASSI {  131}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HB1 ))
      2.100     0.500     0.500 peak   131 spectrum    1 weight  0.11000E+01 volume  0.10381E-01 ppm1      0.858 ppm2      1.503 CV     1
 ASSI {  132}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
      2.900     1.100     1.100 peak   132 spectrum    1 weight  0.11000E+01 volume  0.13952E-02 ppm1      0.858 ppm2      2.681 CV     1
 OR {  132}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  133}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 66   and name HB1 ))
      3.200     1.300     1.300 peak   133 spectrum    1 weight  0.11000E+01 volume  0.79530E-03 ppm1      0.940 ppm2      3.092 CV     1
 ASSI {  134}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak   134 spectrum    1 weight  0.11000E+01 volume  0.49595E-02 ppm1      0.943 ppm2      3.494 CV     1
 ASSI {  136}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 67   and name HG2 ))
      3.100     1.200     1.200 peak   136 spectrum    1 weight  0.11000E+01 volume  0.95978E-03 ppm1      0.943 ppm2      2.450 CV     1
 OR {  136}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  137}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 70   and name HA  ))
      2.000     0.500     0.500 peak   137 spectrum    1 weight  0.11000E+01 volume  0.14908E-01 ppm1      0.944 ppm2      3.913 CV     1
 ASSI {  138}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 73   and name HG  ))
      2.100     2.100     3.900 peak   138 spectrum    1 weight  0.11000E+01 volume  0.91799E-02 ppm1      0.940 ppm2      1.807 CV     1
 ASSI {  139}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 81   and name HA  ))
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.11000E+01 volume  0.36250E-02 ppm1      0.943 ppm2      4.224 CV     1
 ASSI {  140}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 81   and name HB2 ))
      2.600     0.900     0.900 peak   140 spectrum    1 weight  0.11000E+01 volume  0.26932E-02 ppm1      0.945 ppm2      2.691 CV     1
 OR {  140}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  141}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.400     0.700     0.700 peak   141 spectrum    1 weight  0.11000E+01 volume  0.43224E-02 ppm1      1.465 ppm2      1.887 CV     1
 ASSI {  142}
   (( segid "    " and resid 70   and name HG  ))
   (  segid "    " and resid 70   and name HD2%)
      2.600     0.800     0.800 peak   142 spectrum    1 weight  0.11000E+01 volume  0.29714E-02 ppm1      1.468 ppm2      0.953 CV     1
 ASSI {  143}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 74   and name HD1 ))
      3.400     3.400     2.600 peak   143 spectrum    1 weight  0.11000E+01 volume  0.60436E-03 ppm1      1.480 ppm2      3.110 CV     1
 ASSI {  144}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HG  ))
      3.300     3.300     2.700 peak   144 spectrum    1 weight  0.11000E+01 volume  0.66575E-03 ppm1      3.812 ppm2      1.486 CV     1
 ASSI {  145}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.200     0.600     0.600 peak   145 spectrum    1 weight  0.11000E+01 volume  0.83808E-02 ppm1      3.811 ppm2      2.211 CV     1
 OR {  145}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  146}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.600     0.800     0.800 peak   146 spectrum    1 weight  0.11000E+01 volume  0.30118E-02 ppm1      3.811 ppm2      2.444 CV     1
 OR {  146}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  147}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HA  ))
      3.300     3.300     2.700 peak   147 spectrum    1 weight  0.11000E+01 volume  0.72751E-03 ppm1      3.807 ppm2      4.388 CV     1
 ASSI {  149}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
      2.400     0.700     0.700 peak   149 spectrum    1 weight  0.11000E+01 volume  0.45486E-02 ppm1      3.812 ppm2      3.112 CV     1
 ASSI {  150}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   150 spectrum    1 weight  0.11000E+01 volume  0.64576E-03 ppm1      2.169 ppm2      4.366 CV     1
 ASSI {  151}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.900     0.900 peak   151 spectrum    1 weight  0.11000E+01 volume  0.26452E-02 ppm1      2.167 ppm2      3.816 CV     1
 ASSI {  152}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   152 spectrum    1 weight  0.11000E+01 volume  0.68137E-03 ppm1      2.233 ppm2      4.356 CV     1
 ASSI {  153}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.900     0.900 peak   153 spectrum    1 weight  0.11000E+01 volume  0.27107E-02 ppm1      2.236 ppm2      3.816 CV     1
 ASSI {  154}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.300     1.300 peak   154 spectrum    1 weight  0.11000E+01 volume  0.85468E-03 ppm1      2.450 ppm2      4.368 CV     1
 OR {  154}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {  156}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
      1.600     0.300     0.600 peak   156 spectrum    1 weight  0.11000E+01 volume  0.49345E-01 ppm1      2.442 ppm2      2.227 CV     1
 OR {  156}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  158}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.100     0.600     0.600 peak   158 spectrum    1 weight  0.11000E+01 volume  0.89749E-02 ppm1      4.147 ppm2      2.372 CV     1
 ASSI {  159}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak   159 spectrum    1 weight  0.11000E+01 volume  0.20366E-02 ppm1      4.147 ppm2      2.573 CV     1
 ASSI {  160}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak   160 spectrum    1 weight  0.11000E+01 volume  0.21697E-02 ppm1      4.146 ppm2      2.738 CV     1
 ASSI {  161}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.400     0.700     0.700 peak   161 spectrum    1 weight  0.11000E+01 volume  0.51407E-02 ppm1      4.147 ppm2      2.900 CV     1
 ASSI {  162}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 95   and name HD1%)
      3.100     3.100     2.900 peak   162 spectrum    1 weight  0.11000E+01 volume  0.10202E-02 ppm1      4.150 ppm2      0.843 CV     1
 ASSI {  163}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.500     0.800     0.800 peak   163 spectrum    1 weight  0.11000E+01 volume  0.39168E-02 ppm1      2.099 ppm2      4.117 CV     1
 ASSI {  164}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      1.900     0.400     0.400 peak   164 spectrum    1 weight  0.11000E+01 volume  0.20651E-01 ppm1      2.102 ppm2      2.359 CV     1
 ASSI {  165}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.500     0.800     0.800 peak   165 spectrum    1 weight  0.11000E+01 volume  0.39546E-02 ppm1      2.102 ppm2      2.552 CV     1
 ASSI {  166}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 95   and name HD1%)
      2.700     0.900     0.900 peak   166 spectrum    1 weight  0.11000E+01 volume  0.24200E-02 ppm1      2.105 ppm2      0.842 CV     1
 ASSI {  169}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.400     0.700     0.700 peak   169 spectrum    1 weight  0.11000E+01 volume  0.52108E-02 ppm1      2.360 ppm2      2.560 CV     1
 ASSI {  170}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 95   and name HD1%)
      2.700     2.700     3.300 peak   170 spectrum    1 weight  0.11000E+01 volume  0.20430E-02 ppm1      2.357 ppm2      0.844 CV     1
 ASSI {  171}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.600     2.600     3.400 peak   171 spectrum    1 weight  0.11000E+01 volume  0.30242E-02 ppm1      2.397 ppm2      4.116 CV     1
 ASSI {  172}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HG2 ))
      1.800     0.400     0.400 peak   172 spectrum    1 weight  0.11000E+01 volume  0.24525E-01 ppm1      2.389 ppm2      2.566 CV     1
 ASSI {  173}
   (( segid "    " and resid 72   and name HG1 ))
   (  segid "    " and resid 95   and name HD1%)
      2.900     1.000     1.000 peak   173 spectrum    1 weight  0.11000E+01 volume  0.16128E-02 ppm1      2.383 ppm2      0.838 CV     1
 ASSI {  174}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 69   and name HB1 ))
      2.600     2.600     3.400 peak   174 spectrum    1 weight  0.11000E+01 volume  0.30590E-02 ppm1      2.578 ppm2      1.766 CV     1
 ASSI {  176}
   (( segid "    " and resid 72   and name HG2 ))
   (  segid "    " and resid 95   and name HD1%)
      3.000     1.100     1.100 peak   176 spectrum    1 weight  0.11000E+01 volume  0.11981E-02 ppm1      2.570 ppm2      0.839 CV     1
 ASSI {  177}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.500     0.800     0.800 peak   177 spectrum    1 weight  0.11000E+01 volume  0.36939E-02 ppm1      4.104 ppm2      1.383 CV     1
 ASSI {  178}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.500     0.800     0.800 peak   178 spectrum    1 weight  0.11000E+01 volume  0.34511E-02 ppm1      4.105 ppm2      2.054 CV     1
 ASSI {  179}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
      2.200     0.600     0.600 peak   179 spectrum    1 weight  0.11000E+01 volume  0.84250E-02 ppm1      4.094 ppm2      0.789 CV     1
 ASSI {  180}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG  ))
      2.600     0.800     0.800 peak   180 spectrum    1 weight  0.11000E+01 volume  0.28775E-02 ppm1      4.103 ppm2      1.800 CV     1
 ASSI {  181}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.400     0.700     0.700 peak   181 spectrum    1 weight  0.11000E+01 volume  0.45329E-02 ppm1      4.103 ppm2      2.325 CV     1
 OR {  181}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  182}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HG1 ))
      3.000     1.100     1.100 peak   182 spectrum    1 weight  0.11000E+01 volume  0.12407E-02 ppm1      4.103 ppm2      2.903 CV     1
 ASSI {  183}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HG2 ))
      3.200     1.300     1.300 peak   183 spectrum    1 weight  0.11000E+01 volume  0.85548E-03 ppm1      4.103 ppm2      2.709 CV     1
 ASSI {  184}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
      3.100     3.100     2.900 peak   184 spectrum    1 weight  0.11000E+01 volume  0.90650E-03 ppm1      1.383 ppm2      3.923 CV     1
 ASSI {  186}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.100     0.600     0.600 peak   186 spectrum    1 weight  0.11000E+01 volume  0.95616E-02 ppm1      1.386 ppm2      2.047 CV     1
 ASSI {  187}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 73   and name HD1%)
      2.400     0.700     0.700 peak   187 spectrum    1 weight  0.11000E+01 volume  0.50313E-02 ppm1      1.387 ppm2      0.798 CV     1
 OR {  187}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI {  189}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.000     1.000 peak   189 spectrum    1 weight  0.11000E+01 volume  0.15430E-02 ppm1      2.044 ppm2      3.913 CV     1
 ASSI {  192}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 73   and name HD2%)
      2.400     0.700     0.700 peak   192 spectrum    1 weight  0.11000E+01 volume  0.43685E-02 ppm1      2.041 ppm2      0.795 CV     1
 ASSI {  193}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.11000E+01 volume  0.31824E-02 ppm1      2.046 ppm2      1.782 CV     1
 ASSI {  195}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 84   and name HB1 ))
      2.400     0.700     0.700 peak   195 spectrum    1 weight  0.11000E+01 volume  0.44919E-02 ppm1      0.781 ppm2      3.492 CV     1
 ASSI {  196}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 84   and name HB2 ))
      2.400     0.700     0.700 peak   196 spectrum    1 weight  0.11000E+01 volume  0.46936E-02 ppm1      0.778 ppm2      3.897 CV     1
 ASSI {  197}
   (  segid "    " and resid 73   and name HD2%)
   (  segid "    " and resid 88   and name HD1%)
      2.400     0.700     0.700 peak   197 spectrum    1 weight  0.11000E+01 volume  0.46702E-02 ppm1      0.776 ppm2      0.347 CV     1
 OR {  197}
   (  segid "    " and resid 73   and name HD1%)
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  198}
   (( segid "    " and resid 73   and name HG  ))
   (( segid "    " and resid 70   and name HA  ))
      3.500     1.500     1.500 peak   198 spectrum    1 weight  0.11000E+01 volume  0.49329E-03 ppm1      1.791 ppm2      3.912 CV     1
 ASSI {  200}
   (( segid "    " and resid 73   and name HG  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.800     1.000     1.000 peak   200 spectrum    1 weight  0.11000E+01 volume  0.16917E-02 ppm1      1.798 ppm2      1.393 CV     1
 ASSI {  202}
   (( segid "    " and resid 73   and name HG  ))
   (  segid "    " and resid 73   and name HD2%)
      2.400     0.700     0.700 peak   202 spectrum    1 weight  0.11000E+01 volume  0.51531E-02 ppm1      1.806 ppm2      0.809 CV     1
 OR {  202}
   (( segid "    " and resid 73   and name HG  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI {  203}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.500     1.600     1.600 peak   203 spectrum    1 weight  0.11000E+01 volume  0.45927E-03 ppm1      4.392 ppm2      1.379 CV     1
 ASSI {  204}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
      3.000     1.200     1.200 peak   204 spectrum    1 weight  0.11000E+01 volume  0.11028E-02 ppm1      4.390 ppm2      3.151 CV     1
 OR {  204}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  205}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
      2.300     0.600     0.600 peak   205 spectrum    1 weight  0.11000E+01 volume  0.64438E-02 ppm1      4.391 ppm2      1.732 CV     1
 ASSI {  206}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.100     0.600     0.600 peak   206 spectrum    1 weight  0.11000E+01 volume  0.10064E-01 ppm1      4.392 ppm2      1.904 CV     1
 ASSI {  207}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.000     1.000 peak   207 spectrum    1 weight  0.11000E+01 volume  0.15286E-02 ppm1      1.876 ppm2      3.815 CV     1
 ASSI {  208}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   208 spectrum    1 weight  0.11000E+01 volume  0.24162E-02 ppm1      1.881 ppm2      4.394 CV     1
 ASSI {  209}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     1.100     1.100 peak   209 spectrum    1 weight  0.11000E+01 volume  0.11857E-02 ppm1      1.975 ppm2      3.813 CV     1
 ASSI {  210}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   210 spectrum    1 weight  0.11000E+01 volume  0.16940E-02 ppm1      1.975 ppm2      4.396 CV     1
 ASSI {  213}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   213 spectrum    1 weight  0.11000E+01 volume  0.80500E-03 ppm1      3.090 ppm2      4.404 CV     1
 ASSI {  214}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.600     0.800     0.800 peak   214 spectrum    1 weight  0.11000E+01 volume  0.30865E-02 ppm1      3.088 ppm2      1.720 CV     1
 ASSI {  215}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HG2 ))
      2.200     0.600     0.600 peak   215 spectrum    1 weight  0.11000E+01 volume  0.71933E-02 ppm1      3.089 ppm2      1.908 CV     1
 ASSI {  216}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 70   and name HG  ))
      3.300     1.400     1.400 peak   216 spectrum    1 weight  0.11000E+01 volume  0.65856E-03 ppm1      3.187 ppm2      1.479 CV     1
 ASSI {  217}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   217 spectrum    1 weight  0.11000E+01 volume  0.19920E-02 ppm1      3.189 ppm2      3.814 CV     1
 ASSI {  218}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     3.200     2.800 peak   218 spectrum    1 weight  0.11000E+01 volume  0.81095E-03 ppm1      3.188 ppm2      4.400 CV     1
 ASSI {  219}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.500     0.800     0.800 peak   219 spectrum    1 weight  0.11000E+01 volume  0.32986E-02 ppm1      3.187 ppm2      1.717 CV     1
 ASSI {  220}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HG2 ))
      2.200     0.600     0.600 peak   220 spectrum    1 weight  0.11000E+01 volume  0.74190E-02 ppm1      3.189 ppm2      1.907 CV     1
 ASSI {  222}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HD2 ))
      2.600     0.900     0.900 peak   222 spectrum    1 weight  0.11000E+01 volume  0.26438E-02 ppm1      1.723 ppm2      3.146 CV     1
 OR {  222}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI {  224}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD2 ))
      2.600     0.900     0.900 peak   224 spectrum    1 weight  0.11000E+01 volume  0.27379E-02 ppm1      1.893 ppm2      3.137 CV     1
 OR {  224}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI {  225}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.100     3.100     2.900 peak   225 spectrum    1 weight  0.11000E+01 volume  0.10468E-02 ppm1      4.443 ppm2      1.876 CV     1
 ASSI {  226}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.200     0.600     0.600 peak   226 spectrum    1 weight  0.11000E+01 volume  0.76136E-02 ppm1      4.442 ppm2      2.738 CV     1
 ASSI {  228}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
      1.900     0.400     0.400 peak   228 spectrum    1 weight  0.11000E+01 volume  0.20459E-01 ppm1      2.738 ppm2      2.900 CV     1
 ASSI {  230}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.900     0.900 peak   230 spectrum    1 weight  0.11000E+01 volume  0.27491E-02 ppm1      2.903 ppm2      4.444 CV     1
 ASSI {  232}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.100     0.500     0.500 peak   232 spectrum    1 weight  0.11000E+01 volume  0.10824E-01 ppm1      4.466 ppm2      2.356 CV     1
 OR {  232}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI {  233}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG2 ))
      2.500     0.800     0.800 peak   233 spectrum    1 weight  0.11000E+01 volume  0.38734E-02 ppm1      4.464 ppm2      2.713 CV     1
 ASSI {  235}
   (( segid "    " and resid 76   and name HG1 ))
   (  segid "    " and resid 73   and name HD1%)
      3.300     1.400     1.400 peak   235 spectrum    1 weight  0.11000E+01 volume  0.63509E-03 ppm1      2.885 ppm2      0.809 CV     1
 ASSI {  236}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   236 spectrum    1 weight  0.11000E+01 volume  0.16553E-02 ppm1      2.888 ppm2      4.467 CV     1
 ASSI {  237}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HB1 ))
      2.400     0.700     0.700 peak   237 spectrum    1 weight  0.11000E+01 volume  0.44124E-02 ppm1      2.887 ppm2      2.339 CV     1
 OR {  237}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  239}
   (( segid "    " and resid 76   and name HG2 ))
   (  segid "    " and resid 73   and name HD1%)
      3.200     3.200     2.800 peak   239 spectrum    1 weight  0.11000E+01 volume  0.76513E-03 ppm1      2.706 ppm2      0.810 CV     1
 ASSI {  241}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.400     2.400     3.600 peak   241 spectrum    1 weight  0.11000E+01 volume  0.50527E-02 ppm1      2.706 ppm2      2.339 CV     1
 OR {  241}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI {  242}
   (( segid "    " and resid 77   and name HA1 ))
   (( segid "    " and resid 76   and name HB2 ))
      3.000     3.000     3.000 peak   242 spectrum    1 weight  0.11000E+01 volume  0.13348E-02 ppm1      3.698 ppm2      2.388 CV     1
 ASSI {  243}
   (( segid "    " and resid 77   and name HA1 ))
   (( segid "    " and resid 77   and name HA2 ))
      1.800     0.400     0.400 peak   243 spectrum    1 weight  0.11000E+01 volume  0.28053E-01 ppm1      3.695 ppm2      4.379 CV     1
 ASSI {  244}
   (( segid "    " and resid 77   and name HA2 ))
   (( segid "    " and resid 76   and name HB2 ))
      3.900     1.900     1.900 peak   244 spectrum    1 weight  0.11000E+01 volume  0.24723E-03 ppm1      4.378 ppm2      2.388 CV     1
 ASSI {  246}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.500     0.800     0.800 peak   246 spectrum    1 weight  0.11000E+01 volume  0.39287E-02 ppm1      4.050 ppm2      1.755 CV     1
 ASSI {  247}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
      2.500     0.800     0.800 peak   247 spectrum    1 weight  0.11000E+01 volume  0.37991E-02 ppm1      4.046 ppm2      1.295 CV     1
 OR {  247}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
 ASSI {  248}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.000     0.500     0.500 peak   248 spectrum    1 weight  0.11000E+01 volume  0.12287E-01 ppm1      4.052 ppm2      0.815 CV     1
 ASSI {  250}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG12))
      2.300     0.700     0.700 peak   250 spectrum    1 weight  0.11000E+01 volume  0.57035E-02 ppm1      1.746 ppm2      1.314 CV     1
 OR {  250}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
 ASSI {  252}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      2.800     0.900     0.900 peak   252 spectrum    1 weight  0.11000E+01 volume  0.20199E-02 ppm1      0.774 ppm2      4.057 CV     1
 ASSI {  253}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.100     1.100 peak   253 spectrum    1 weight  0.11000E+01 volume  0.14793E-02 ppm1      0.763 ppm2      1.749 CV     1
 ASSI {  254}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.400     0.700     0.700 peak   254 spectrum    1 weight  0.11000E+01 volume  0.46026E-02 ppm1      0.773 ppm2      1.301 CV     1
 OR {  254}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
 ASSI {  255}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 76   and name HB1 ))
      3.300     1.300     1.300 peak   255 spectrum    1 weight  0.11000E+01 volume  0.73485E-03 ppm1      1.290 ppm2      2.330 CV     1
 OR {  255}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  258}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 78   and name HG2%)
      2.100     0.500     0.500 peak   258 spectrum    1 weight  0.11000E+01 volume  0.10913E-01 ppm1      1.296 ppm2      0.807 CV     1
 ASSI {  260}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.100     0.500     0.500 peak   260 spectrum    1 weight  0.11000E+01 volume  0.10822E-01 ppm1      0.820 ppm2      1.749 CV     1
 ASSI {  262}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
      3.400     1.400     1.400 peak   262 spectrum    1 weight  0.11000E+01 volume  0.62156E-03 ppm1      0.820 ppm2      2.888 CV     1
 ASSI {  263}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.500     0.800     0.800 peak   263 spectrum    1 weight  0.11000E+01 volume  0.39067E-02 ppm1      4.443 ppm2      1.867 CV     1
 ASSI {  264}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.200     0.600     0.600 peak   264 spectrum    1 weight  0.11000E+01 volume  0.81882E-02 ppm1      4.443 ppm2      2.262 CV     1
 ASSI {  266}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HB2 ))
      1.800     0.400     0.400 peak   266 spectrum    1 weight  0.11000E+01 volume  0.24160E-01 ppm1      1.875 ppm2      2.258 CV     1
 ASSI {  269}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   269 spectrum    1 weight  0.11000E+01 volume  0.22923E-02 ppm1      2.264 ppm2      4.442 CV     1
 ASSI {  270}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HB1 ))
      2.300     0.700     0.700 peak   270 spectrum    1 weight  0.11000E+01 volume  0.53604E-02 ppm1      2.273 ppm2      1.875 CV     1
 ASSI {  271}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   271 spectrum    1 weight  0.11000E+01 volume  0.27768E-02 ppm1      2.359 ppm2      4.443 CV     1
 ASSI {  272}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HB1 ))
      2.300     0.600     0.600 peak   272 spectrum    1 weight  0.11000E+01 volume  0.67403E-02 ppm1      2.358 ppm2      1.875 CV     1
 ASSI {  273}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.200     0.600     0.600 peak   273 spectrum    1 weight  0.11000E+01 volume  0.85135E-02 ppm1      4.725 ppm2      2.522 CV     1
 ASSI {  274}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   274 spectrum    1 weight  0.11000E+01 volume  0.49724E-02 ppm1      4.736 ppm2      2.889 CV     1
 ASSI {  275}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 83   and name HD1%)
      3.500     1.600     1.600 peak   275 spectrum    1 weight  0.11000E+01 volume  0.45437E-03 ppm1      4.720 ppm2      0.894 CV     1
 ASSI {  277}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HB2 ))
      1.900     0.500     0.500 peak   277 spectrum    1 weight  0.11000E+01 volume  0.17068E-01 ppm1      2.521 ppm2      2.880 CV     1
 ASSI {  278}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 83   and name HB1 ))
      3.200     1.300     1.300 peak   278 spectrum    1 weight  0.11000E+01 volume  0.75002E-03 ppm1      2.524 ppm2      1.537 CV     1
 ASSI {  279}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak   279 spectrum    1 weight  0.11000E+01 volume  0.13389E-02 ppm1      2.519 ppm2      1.803 CV     1
 ASSI {  280}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 83   and name HD1%)
      3.000     1.100     1.100 peak   280 spectrum    1 weight  0.11000E+01 volume  0.13331E-02 ppm1      2.516 ppm2      0.892 CV     1
 ASSI {  283}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 83   and name HB1 ))
      3.200     1.300     1.300 peak   283 spectrum    1 weight  0.11000E+01 volume  0.78487E-03 ppm1      2.868 ppm2      1.532 CV     1
 ASSI {  285}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 83   and name HD1%)
      2.900     1.100     1.100 peak   285 spectrum    1 weight  0.11000E+01 volume  0.13457E-02 ppm1      2.879 ppm2      0.895 CV     1
 ASSI {  287}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.100     0.600     0.600 peak   287 spectrum    1 weight  0.11000E+01 volume  0.90500E-02 ppm1      4.230 ppm2      2.691 CV     1
 OR {  287}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {  288}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.700     0.900     0.900 peak   288 spectrum    1 weight  0.11000E+01 volume  0.22347E-02 ppm1      4.230 ppm2      3.494 CV     1
 ASSI {  289}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.300     0.700     0.700 peak   289 spectrum    1 weight  0.11000E+01 volume  0.56837E-02 ppm1      4.229 ppm2      3.880 CV     1
 ASSI {  291}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 84   and name HB1 ))
      3.800     1.800     1.800 peak   291 spectrum    1 weight  0.11000E+01 volume  0.28132E-03 ppm1      2.689 ppm2      3.488 CV     1
 OR {  291}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 84   and name HB1 ))
 ASSI {  292}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
      3.300     1.400     1.400 peak   292 spectrum    1 weight  0.11000E+01 volume  0.65809E-03 ppm1      2.691 ppm2      3.902 CV     1
 OR {  292}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 84   and name HB2 ))
 ASSI {  293}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HD1%)
      2.700     2.700     3.300 peak   293 spectrum    1 weight  0.11000E+01 volume  0.23438E-02 ppm1      4.001 ppm2      0.938 CV     1
 ASSI {  294}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.600     0.800     0.800 peak   294 spectrum    1 weight  0.11000E+01 volume  0.30433E-02 ppm1      2.241 ppm2      4.002 CV     1
 OR {  294}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  295}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.300     0.600     0.600 peak   295 spectrum    1 weight  0.11000E+01 volume  0.67149E-02 ppm1      3.982 ppm2      1.538 CV     1
 ASSI {  296}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   296 spectrum    1 weight  0.11000E+01 volume  0.52238E-02 ppm1      3.981 ppm2      1.812 CV     1
 ASSI {  298}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.700     0.900     0.900 peak   298 spectrum    1 weight  0.11000E+01 volume  0.24871E-02 ppm1      3.990 ppm2      1.971 CV     1
 ASSI {  299}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
      3.300     1.300     1.300 peak   299 spectrum    1 weight  0.11000E+01 volume  0.72085E-03 ppm1      3.982 ppm2      3.217 CV     1
 ASSI {  301}
   (( segid "    " and resid 83   and name HB1 ))
   (  segid "    " and resid 83   and name HD2%)
      2.200     0.600     0.600 peak   301 spectrum    1 weight  0.11000E+01 volume  0.80801E-02 ppm1      1.537 ppm2      0.914 CV     1
 OR {  301}
   (( segid "    " and resid 83   and name HB1 ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI {  303}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 80   and name HB2 ))
      2.800     0.900     0.900 peak   303 spectrum    1 weight  0.11000E+01 volume  0.20301E-02 ppm1      1.789 ppm2      2.857 CV     1
 ASSI {  304}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 83   and name HD1%)
      2.200     0.600     0.600 peak   304 spectrum    1 weight  0.11000E+01 volume  0.73516E-02 ppm1      1.805 ppm2      0.920 CV     1
 ASSI {  305}
   (  segid "    " and resid 83   and name HD2%)
   (( segid "    " and resid 83   and name HA  ))
      2.000     0.500     0.500 peak   305 spectrum    1 weight  0.11000E+01 volume  0.14147E-01 ppm1      0.896 ppm2      3.980 CV     1
 ASSI {  309}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 83   and name HA  ))
      2.900     1.000     1.000 peak   309 spectrum    1 weight  0.11000E+01 volume  0.15712E-02 ppm1      1.449 ppm2      3.964 CV     1
 ASSI {  310}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   310 spectrum    1 weight  0.11000E+01 volume  0.41099E-02 ppm1      1.448 ppm2      1.817 CV     1
 ASSI {  311}
   (( segid "    " and resid 83   and name HG  ))
   (  segid "    " and resid 83   and name HD1%)
      2.600     0.900     0.900 peak   311 spectrum    1 weight  0.11000E+01 volume  0.27596E-02 ppm1      1.448 ppm2      0.896 CV     1
 OR {  311}
   (( segid "    " and resid 83   and name HG  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  312}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 102  and name HA  ))
      3.500     1.500     1.500 peak   312 spectrum    1 weight  0.11000E+01 volume  0.49321E-03 ppm1      1.460 ppm2      3.456 CV     1
 ASSI {  314}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HD1%)
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.11000E+01 volume  0.17891E-02 ppm1      3.783 ppm2      0.918 CV     1
 ASSI {  315}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.200     0.600     0.600 peak   315 spectrum    1 weight  0.11000E+01 volume  0.71519E-02 ppm1      3.781 ppm2      3.480 CV     1
 ASSI {  316}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 87   and name HB% )
      2.800     1.000     1.000 peak   316 spectrum    1 weight  0.11000E+01 volume  0.18405E-02 ppm1      3.784 ppm2      1.441 CV     1
 ASSI {  317}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      3.900     1.900     1.900 peak   317 spectrum    1 weight  0.11000E+01 volume  0.24941E-03 ppm1      3.493 ppm2      2.045 CV     1
 ASSI {  320}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 83   and name HD1%)
      2.600     0.800     0.800 peak   320 spectrum    1 weight  0.11000E+01 volume  0.29206E-02 ppm1      3.494 ppm2      0.922 CV     1
 ASSI {  321}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
      2.000     0.500     0.500 peak   321 spectrum    1 weight  0.11000E+01 volume  0.12855E-01 ppm1      3.493 ppm2      3.863 CV     1
 ASSI {  322}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 87   and name HB% )
      3.200     1.300     1.300 peak   322 spectrum    1 weight  0.11000E+01 volume  0.80713E-03 ppm1      3.489 ppm2      1.449 CV     1
 ASSI {  324}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 73   and name HG  ))
      3.800     1.800     1.800 peak   324 spectrum    1 weight  0.11000E+01 volume  0.29141E-03 ppm1      3.896 ppm2      1.812 CV     1
 ASSI {  326}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 83   and name HD1%)
      2.700     0.900     0.900 peak   326 spectrum    1 weight  0.11000E+01 volume  0.24230E-02 ppm1      3.893 ppm2      0.919 CV     1
 ASSI {  328}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 87   and name HB% )
      3.400     3.400     2.600 peak   328 spectrum    1 weight  0.11000E+01 volume  0.53366E-03 ppm1      3.893 ppm2      1.432 CV     1
 ASSI {  330}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 85   and name HD1%)
      2.000     0.500     0.500 peak   330 spectrum    1 weight  0.11000E+01 volume  0.14610E-01 ppm1      3.925 ppm2      0.959 CV     1
 ASSI {  331}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HA  ))
      2.900     2.900     3.100 peak   331 spectrum    1 weight  0.11000E+01 volume  0.14000E-02 ppm1      3.924 ppm2      3.531 CV     1
 ASSI {  332}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.11000E+01 volume  0.21723E-02 ppm1      3.925 ppm2      0.329 CV     1
 ASSI {  333}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HA  ))
      2.400     0.700     0.700 peak   333 spectrum    1 weight  0.11000E+01 volume  0.52167E-02 ppm1      1.591 ppm2      3.933 CV     1
 ASSI {  335}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.900     0.900 peak   335 spectrum    1 weight  0.11000E+01 volume  0.27904E-02 ppm1      1.829 ppm2      3.928 CV     1
 ASSI {  336}
   (( segid "    " and resid 85   and name HB2 ))
   (  segid "    " and resid 85   and name HD1%)
      2.400     0.700     0.700 peak   336 spectrum    1 weight  0.11000E+01 volume  0.45458E-02 ppm1      1.829 ppm2      0.958 CV     1
 ASSI {  337}
   (  segid "    " and resid 85   and name HD2%)
   (( segid "    " and resid 66   and name HB1 ))
      2.800     1.000     1.000 peak   337 spectrum    1 weight  0.11000E+01 volume  0.18524E-02 ppm1      0.981 ppm2      3.083 CV     1
 ASSI {  338}
   (  segid "    " and resid 85   and name HD2%)
   (( segid "    " and resid 66   and name HB2 ))
      3.000     1.100     1.100 peak   338 spectrum    1 weight  0.11000E+01 volume  0.12889E-02 ppm1      0.982 ppm2      3.493 CV     1
 ASSI {  339}
   (  segid "    " and resid 85   and name HD2%)
   (( segid "    " and resid 85   and name HA  ))
      2.100     0.500     0.500 peak   339 spectrum    1 weight  0.11000E+01 volume  0.11713E-01 ppm1      0.980 ppm2      3.924 CV     1
 ASSI {  340}
   (  segid "    " and resid 85   and name HD2%)
   (( segid "    " and resid 85   and name HB1 ))
      2.200     0.600     0.600 peak   340 spectrum    1 weight  0.11000E+01 volume  0.83394E-02 ppm1      0.981 ppm2      1.587 CV     1
 ASSI {  341}
   (  segid "    " and resid 85   and name HD2%)
   (  segid "    " and resid 88   and name HD1%)
      3.000     1.100     1.100 peak   341 spectrum    1 weight  0.11000E+01 volume  0.11564E-02 ppm1      0.982 ppm2      0.343 CV     1
 OR {  341}
   (  segid "    " and resid 85   and name HD2%)
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  342}
   (( segid "    " and resid 85   and name HG  ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     1.000     1.000 peak   342 spectrum    1 weight  0.11000E+01 volume  0.17609E-02 ppm1      1.732 ppm2      3.915 CV     1
 ASSI {  343}
   (( segid "    " and resid 85   and name HG  ))
   (  segid "    " and resid 85   and name HD1%)
      2.200     0.600     0.600 peak   343 spectrum    1 weight  0.11000E+01 volume  0.74330E-02 ppm1      1.732 ppm2      0.951 CV     1
 ASSI {  344}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.100     0.600     0.600 peak   344 spectrum    1 weight  0.11000E+01 volume  0.93062E-02 ppm1      4.018 ppm2      1.845 CV     1
 ASSI {  345}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HD1 ))
      3.100     1.200     1.200 peak   345 spectrum    1 weight  0.11000E+01 volume  0.94299E-03 ppm1      4.021 ppm2      3.219 CV     1
 OR {  345}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  346}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HG1 ))
      2.400     0.700     0.700 peak   346 spectrum    1 weight  0.11000E+01 volume  0.45962E-02 ppm1      4.018 ppm2      1.599 CV     1
 ASSI {  348}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HD1 ))
      2.700     0.900     0.900 peak   348 spectrum    1 weight  0.11000E+01 volume  0.25350E-02 ppm1      1.850 ppm2      3.200 CV     1
 OR {  348}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  349}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.500     0.800     0.800 peak   349 spectrum    1 weight  0.11000E+01 volume  0.35964E-02 ppm1      1.994 ppm2      4.016 CV     1
 ASSI {  350}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HD2 ))
      2.600     0.900     0.900 peak   350 spectrum    1 weight  0.11000E+01 volume  0.27264E-02 ppm1      1.977 ppm2      3.201 CV     1
 OR {  350}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HD1 ))
 ASSI {  351}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     2.900     3.100 peak   351 spectrum    1 weight  0.11000E+01 volume  0.13496E-02 ppm1      3.211 ppm2      4.001 CV     1
 OR {  351}
   (( segid "    " and resid 86   and name HD1 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  352}
   (( segid "    " and resid 86   and name HD2 ))
   (  segid "    " and resid 83   and name HD2%)
      3.500     1.500     1.500 peak   352 spectrum    1 weight  0.11000E+01 volume  0.47741E-03 ppm1      3.225 ppm2      0.910 CV     1
 OR {  352}
   (( segid "    " and resid 86   and name HD1 ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  353}
   (( segid "    " and resid 86   and name HD1 ))
   (( segid "    " and resid 86   and name HG1 ))
      2.400     0.700     0.700 peak   353 spectrum    1 weight  0.11000E+01 volume  0.41989E-02 ppm1      3.210 ppm2      1.592 CV     1
 OR {  353}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 86   and name HG1 ))
 ASSI {  354}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 86   and name HG2 ))
      2.300     0.700     0.700 peak   354 spectrum    1 weight  0.11000E+01 volume  0.54840E-02 ppm1      3.217 ppm2      1.870 CV     1
 OR {  354}
   (( segid "    " and resid 86   and name HD1 ))
   (( segid "    " and resid 86   and name HG2 ))
 ASSI {  357}
   (( segid "    " and resid 86   and name HG1 ))
   (( segid "    " and resid 86   and name HG2 ))
      2.000     0.500     0.500 peak   357 spectrum    1 weight  0.11000E+01 volume  0.14162E-01 ppm1      1.600 ppm2      1.859 CV     1
 ASSI {  358}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak   358 spectrum    1 weight  0.11000E+01 volume  0.19356E-02 ppm1      1.868 ppm2      4.013 CV     1
 ASSI {  362}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 90   and name HB% )
      2.100     0.600     0.600 peak   362 spectrum    1 weight  0.11000E+01 volume  0.98328E-02 ppm1      4.022 ppm2      1.495 CV     1
 ASSI {  363}
   (  segid "    " and resid 87   and name HB% )
   (( segid "    " and resid 87   and name HA  ))
      2.100     0.500     0.500 peak   363 spectrum    1 weight  0.11000E+01 volume  0.10658E-01 ppm1      1.433 ppm2      4.016 CV     1
 ASSI {  364}
   (  segid "    " and resid 87   and name HB% )
   (( segid "    " and resid 98   and name HA  ))
      2.400     0.700     0.700 peak   364 spectrum    1 weight  0.11000E+01 volume  0.51924E-02 ppm1      1.441 ppm2      3.798 CV     1
 ASSI {  365}
   (  segid "    " and resid 87   and name HB% )
   (  segid "    " and resid 98   and name HB% )
      2.200     0.600     0.600 peak   365 spectrum    1 weight  0.11000E+01 volume  0.78112E-02 ppm1      1.434 ppm2      1.224 CV     1
 ASSI {  366}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.300     2.300     3.700 peak   366 spectrum    1 weight  0.11000E+01 volume  0.57383E-02 ppm1      3.540 ppm2      1.547 CV     1
 OR {  366}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {  367}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HD2%)
      2.000     0.500     0.500 peak   367 spectrum    1 weight  0.11000E+01 volume  0.12287E-01 ppm1      3.540 ppm2      0.337 CV     1
 OR {  367}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  368}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
      2.900     1.100     1.100 peak   368 spectrum    1 weight  0.11000E+01 volume  0.14553E-02 ppm1      3.540 ppm2      0.686 CV     1
 ASSI {  369}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 93   and name HA1 ))
      3.100     1.200     1.200 peak   369 spectrum    1 weight  0.11000E+01 volume  0.90376E-03 ppm1      3.539 ppm2      2.400 CV     1
 ASSI {  370}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 98   and name HB% )
      2.400     0.700     0.700 peak   370 spectrum    1 weight  0.11000E+01 volume  0.44781E-02 ppm1      3.539 ppm2      1.220 CV     1
 ASSI {  371}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      3.400     1.400     1.400 peak   371 spectrum    1 weight  0.11000E+01 volume  0.59593E-03 ppm1      1.572 ppm2      2.431 CV     1
 ASSI {  372}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HA  ))
      2.700     0.900     0.900 peak   372 spectrum    1 weight  0.11000E+01 volume  0.24701E-02 ppm1      1.571 ppm2      3.535 CV     1
 ASSI {  373}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
      2.100     0.500     0.500 peak   373 spectrum    1 weight  0.11000E+01 volume  0.11255E-01 ppm1      1.574 ppm2      0.321 CV     1
 ASSI {  374}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG  ))
      2.500     0.800     0.800 peak   374 spectrum    1 weight  0.11000E+01 volume  0.33249E-02 ppm1      1.571 ppm2      0.682 CV     1
 ASSI {  376}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      2.600     0.900     0.900 peak   376 spectrum    1 weight  0.11000E+01 volume  0.27524E-02 ppm1      0.318 ppm2      3.541 CV     1
 ASSI {  378}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG  ))
      2.700     0.900     0.900 peak   378 spectrum    1 weight  0.11000E+01 volume  0.23299E-02 ppm1      0.312 ppm2      0.689 CV     1
 ASSI {  379}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 69   and name HB1 ))
      2.400     0.700     0.700 peak   379 spectrum    1 weight  0.11000E+01 volume  0.42451E-02 ppm1      0.351 ppm2      1.762 CV     1
 ASSI {  380}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.200     0.600     0.600 peak   380 spectrum    1 weight  0.11000E+01 volume  0.73800E-02 ppm1      0.347 ppm2      2.412 CV     1
 ASSI {  381}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
      2.800     1.000     1.000 peak   381 spectrum    1 weight  0.11000E+01 volume  0.17686E-02 ppm1      0.347 ppm2      2.937 CV     1
 ASSI {  382}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 85   and name HA  ))
      3.100     1.200     1.200 peak   382 spectrum    1 weight  0.11000E+01 volume  0.10179E-02 ppm1      0.347 ppm2      3.933 CV     1
 ASSI {  384}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 88   and name HB1 ))
      2.100     2.100     3.900 peak   384 spectrum    1 weight  0.11000E+01 volume  0.10898E-01 ppm1      0.346 ppm2      1.536 CV     1
 OR {  384}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {  386}
   (  segid "    " and resid 88   and name HD1%)
   (  segid "    " and resid 98   and name HB% )
      2.100     0.600     0.600 peak   386 spectrum    1 weight  0.11000E+01 volume  0.10034E-01 ppm1      0.346 ppm2      1.218 CV     1
 ASSI {  388}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.800     1.000     1.000 peak   388 spectrum    1 weight  0.11000E+01 volume  0.18366E-02 ppm1      0.676 ppm2      3.077 CV     1
 ASSI {  389}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak   389 spectrum    1 weight  0.11000E+01 volume  0.43916E-02 ppm1      0.677 ppm2      3.499 CV     1
 ASSI {  390}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.700     0.900     0.900 peak   390 spectrum    1 weight  0.11000E+01 volume  0.24079E-02 ppm1      0.685 ppm2      1.786 CV     1
 ASSI {  391}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak   391 spectrum    1 weight  0.11000E+01 volume  0.28241E-02 ppm1      0.677 ppm2      2.430 CV     1
 ASSI {  392}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 85   and name HA  ))
      2.400     0.700     0.700 peak   392 spectrum    1 weight  0.11000E+01 volume  0.48367E-02 ppm1      0.675 ppm2      3.921 CV     1
 ASSI {  394}
   (( segid "    " and resid 88   and name HG  ))
   (  segid "    " and resid 88   and name HD1%)
      2.100     0.500     0.500 peak   394 spectrum    1 weight  0.11000E+01 volume  0.10722E-01 ppm1      0.676 ppm2      0.339 CV     1
 OR {  394}
   (( segid "    " and resid 88   and name HG  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  395}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 95   and name HG11))
      3.500     1.500     1.500 peak   395 spectrum    1 weight  0.11000E+01 volume  0.50693E-03 ppm1      0.678 ppm2      1.213 CV     1
 ASSI {  396}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB1 ))
      2.400     0.700     0.700 peak   396 spectrum    1 weight  0.11000E+01 volume  0.42194E-02 ppm1      3.904 ppm2      2.065 CV     1
 ASSI {  397}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.400     0.700     0.700 peak   397 spectrum    1 weight  0.11000E+01 volume  0.45047E-02 ppm1      3.915 ppm2      2.315 CV     1
 ASSI {  398}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HG1 ))
      2.300     0.700     0.700 peak   398 spectrum    1 weight  0.11000E+01 volume  0.54543E-02 ppm1      3.906 ppm2      2.479 CV     1
 OR {  398}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI {  399}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HB2 ))
      1.900     0.500     0.500 peak   399 spectrum    1 weight  0.11000E+01 volume  0.18294E-01 ppm1      2.072 ppm2      2.301 CV     1
 ASSI {  400}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HG1 ))
      2.200     0.600     0.600 peak   400 spectrum    1 weight  0.11000E+01 volume  0.81270E-02 ppm1      2.070 ppm2      2.478 CV     1
 OR {  400}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI {  401}
   (( segid "    " and resid 89   and name HB1 ))
   (  segid "    " and resid 90   and name HB% )
      3.400     1.500     1.500 peak   401 spectrum    1 weight  0.11000E+01 volume  0.54173E-03 ppm1      2.073 ppm2      1.491 CV     1
 ASSI {  402}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak   402 spectrum    1 weight  0.11000E+01 volume  0.19098E-02 ppm1      2.314 ppm2      4.034 CV     1
 ASSI {  405}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HG2 ))
      2.100     0.600     0.600 peak   405 spectrum    1 weight  0.11000E+01 volume  0.99186E-02 ppm1      2.307 ppm2      2.467 CV     1
 OR {  405}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HG1 ))
 ASSI {  406}
   (( segid "    " and resid 89   and name HB2 ))
   (  segid "    " and resid 90   and name HB% )
      3.500     1.600     1.600 peak   406 spectrum    1 weight  0.11000E+01 volume  0.45733E-03 ppm1      2.302 ppm2      1.492 CV     1
 ASSI {  407}
   (( segid "    " and resid 89   and name HG2 ))
   (  segid "    " and resid 85   and name HD1%)
      3.000     1.200     1.200 peak   407 spectrum    1 weight  0.11000E+01 volume  0.10968E-02 ppm1      2.483 ppm2      0.949 CV     1
 ASSI {  408}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 88   and name HB2 ))
      3.000     3.000     3.000 peak   408 spectrum    1 weight  0.11000E+01 volume  0.11019E-02 ppm1      2.476 ppm2      1.533 CV     1
 OR {  408}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 88   and name HB1 ))
 OR {  408}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 88   and name HB1 ))
 ASSI {  410}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 89   and name HG1 ))
      3.300     3.300     2.700 peak   410 spectrum    1 weight  0.11000E+01 volume  0.69724E-03 ppm1      4.194 ppm2      2.487 CV     1
 OR {  410}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI {  411}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 90   and name HB% )
      2.000     0.500     0.500 peak   411 spectrum    1 weight  0.11000E+01 volume  0.15212E-01 ppm1      4.189 ppm2      1.493 CV     1
 ASSI {  412}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 91   and name HG2%)
      3.400     1.400     1.400 peak   412 spectrum    1 weight  0.11000E+01 volume  0.59870E-03 ppm1      4.188 ppm2      1.016 CV     1
 OR {  412}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  413}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 91   and name HG2%)
      2.100     0.600     0.600 peak   413 spectrum    1 weight  0.11000E+01 volume  0.97772E-02 ppm1      4.509 ppm2      1.009 CV     1
 ASSI {  415}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.600     1.600     1.600 peak   415 spectrum    1 weight  0.11000E+01 volume  0.41145E-03 ppm1      4.510 ppm2      2.813 CV     1
 ASSI {  416}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 97   and name HB% )
      2.800     2.800     3.200 peak   416 spectrum    1 weight  0.11000E+01 volume  0.19691E-02 ppm1      4.507 ppm2      1.406 CV     1
 ASSI {  417}
   (( segid "    " and resid 91   and name HB  ))
   (  segid "    " and resid 91   and name HG2%)
      2.300     0.700     0.700 peak   417 spectrum    1 weight  0.11000E+01 volume  0.56638E-02 ppm1      4.585 ppm2      1.010 CV     1
 OR {  417}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  418}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 94   and name HB1 ))
      3.000     1.100     1.100 peak   418 spectrum    1 weight  0.11000E+01 volume  0.12876E-02 ppm1      4.585 ppm2      2.562 CV     1
 ASSI {  419}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.600     0.900     0.900 peak   419 spectrum    1 weight  0.11000E+01 volume  0.26614E-02 ppm1      4.584 ppm2      2.813 CV     1
 ASSI {  421}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 94   and name HB2 ))
      3.100     1.200     1.200 peak   421 spectrum    1 weight  0.11000E+01 volume  0.90137E-03 ppm1      1.008 ppm2      2.816 CV     1
 OR {  421}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 94   and name HB2 ))
 ASSI {  422}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 97   and name HA  ))
      2.900     1.100     1.100 peak   422 spectrum    1 weight  0.11000E+01 volume  0.14823E-02 ppm1      1.009 ppm2      4.139 CV     1
 ASSI {  423}
   (  segid "    " and resid 91   and name HG2%)
   (  segid "    " and resid 97   and name HB% )
      2.000     0.500     0.500 peak   423 spectrum    1 weight  0.11000E+01 volume  0.13044E-01 ppm1      1.007 ppm2      1.390 CV     1
 ASSI {  424}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 101  and name HB2 ))
      3.200     1.300     1.300 peak   424 spectrum    1 weight  0.11000E+01 volume  0.81313E-03 ppm1      1.009 ppm2      1.866 CV     1
 ASSI {  425}
   (( segid "    " and resid 92   and name HA1 ))
   (( segid "    " and resid 91   and name HA  ))
      3.100     1.200     1.200 peak   425 spectrum    1 weight  0.11000E+01 volume  0.95103E-03 ppm1      3.883 ppm2      4.507 CV     1
 OR {  425}
   (( segid "    " and resid 92   and name HA2 ))
   (( segid "    " and resid 91   and name HA  ))
 ASSI {  426}
   (( segid "    " and resid 93   and name HA1 ))
   (  segid "    " and resid 88   and name HD2%)
      2.500     0.800     0.800 peak   426 spectrum    1 weight  0.11000E+01 volume  0.37098E-02 ppm1      2.387 ppm2      0.338 CV     1
 ASSI {  427}
   (( segid "    " and resid 93   and name HA1 ))
   (( segid "    " and resid 93   and name HA2 ))
      1.900     0.500     0.500 peak   427 spectrum    1 weight  0.11000E+01 volume  0.16725E-01 ppm1      2.385 ppm2      3.607 CV     1
 ASSI {  428}
   (( segid "    " and resid 93   and name HA2 ))
   (  segid "    " and resid 88   and name HD2%)
      2.600     0.900     0.900 peak   428 spectrum    1 weight  0.11000E+01 volume  0.26791E-02 ppm1      3.608 ppm2      0.336 CV     1
 ASSI {  430}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB1 ))
      2.200     0.600     0.600 peak   430 spectrum    1 weight  0.11000E+01 volume  0.78699E-02 ppm1      4.548 ppm2      2.558 CV     1
 ASSI {  431}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.400     0.700     0.700 peak   431 spectrum    1 weight  0.11000E+01 volume  0.47232E-02 ppm1      4.547 ppm2      2.821 CV     1
 ASSI {  432}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 95   and name HG11))
      3.600     1.600     1.600 peak   432 spectrum    1 weight  0.11000E+01 volume  0.39219E-03 ppm1      4.545 ppm2      1.218 CV     1
 ASSI {  433}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 97   and name HB% )
      3.700     1.700     1.700 peak   433 spectrum    1 weight  0.11000E+01 volume  0.33104E-03 ppm1      4.554 ppm2      1.389 CV     1
 ASSI {  437}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 97   and name HB% )
      2.400     0.700     0.700 peak   437 spectrum    1 weight  0.11000E+01 volume  0.41722E-02 ppm1      2.823 ppm2      1.396 CV     1
 ASSI {  438}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.400     3.400     2.600 peak   438 spectrum    1 weight  0.11000E+01 volume  0.55241E-03 ppm1      3.455 ppm2      2.442 CV     1
 ASSI {  439}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 88   and name HD2%)
      2.400     0.700     0.700 peak   439 spectrum    1 weight  0.11000E+01 volume  0.48630E-02 ppm1      3.461 ppm2      0.343 CV     1
 OR {  439}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  440}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HB  ))
      2.400     0.700     0.700 peak   440 spectrum    1 weight  0.11000E+01 volume  0.48750E-02 ppm1      3.460 ppm2      1.826 CV     1
 ASSI {  441}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 95   and name HD1%)
      2.200     0.600     0.600 peak   441 spectrum    1 weight  0.11000E+01 volume  0.75208E-02 ppm1      3.461 ppm2      0.847 CV     1
 ASSI {  442}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HG11))
      2.200     0.600     0.600 peak   442 spectrum    1 weight  0.11000E+01 volume  0.86524E-02 ppm1      3.460 ppm2      1.215 CV     1
 ASSI {  443}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HG12))
      2.800     1.000     1.000 peak   443 spectrum    1 weight  0.11000E+01 volume  0.18461E-02 ppm1      3.468 ppm2      1.570 CV     1
 ASSI {  444}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.300     3.300     2.700 peak   444 spectrum    1 weight  0.11000E+01 volume  0.73242E-03 ppm1      1.826 ppm2      2.444 CV     1
 OR {  444}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {  445}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 88   and name HD2%)
      3.700     1.700     1.700 peak   445 spectrum    1 weight  0.11000E+01 volume  0.36000E-03 ppm1      1.824 ppm2      0.329 CV     1
 OR {  445}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  447}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 95   and name HD1%)
      2.300     2.300     3.700 peak   447 spectrum    1 weight  0.11000E+01 volume  0.62875E-02 ppm1      1.827 ppm2      0.858 CV     1
 ASSI {  449}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 95   and name HG12))
      2.400     0.700     0.700 peak   449 spectrum    1 weight  0.11000E+01 volume  0.47187E-02 ppm1      1.826 ppm2      1.591 CV     1
 ASSI {  450}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak   450 spectrum    1 weight  0.11000E+01 volume  0.29655E-02 ppm1      0.840 ppm2      4.073 CV     1
 ASSI {  451}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak   451 spectrum    1 weight  0.11000E+01 volume  0.44831E-02 ppm1      0.841 ppm2      2.419 CV     1
 ASSI {  454}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 73   and name HG  ))
      2.400     0.700     0.700 peak   454 spectrum    1 weight  0.11000E+01 volume  0.41949E-02 ppm1      0.843 ppm2      1.803 CV     1
 ASSI {  455}
   (  segid "    " and resid 95   and name HD1%)
   (  segid "    " and resid 88   and name HD1%)
      2.800     1.000     1.000 peak   455 spectrum    1 weight  0.11000E+01 volume  0.19191E-02 ppm1      0.839 ppm2      0.351 CV     1
 OR {  455}
   (  segid "    " and resid 95   and name HD1%)
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  457}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 95   and name HG11))
      2.400     0.700     0.700 peak   457 spectrum    1 weight  0.11000E+01 volume  0.41363E-02 ppm1      0.842 ppm2      1.195 CV     1
 ASSI {  459}
   (( segid "    " and resid 95   and name HG11))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     2.600     3.400 peak   459 spectrum    1 weight  0.11000E+01 volume  0.28129E-02 ppm1      1.202 ppm2      2.441 CV     1
 ASSI {  460}
   (( segid "    " and resid 95   and name HG11))
   (( segid "    " and resid 69   and name HG2 ))
      3.100     1.200     1.200 peak   460 spectrum    1 weight  0.11000E+01 volume  0.10496E-02 ppm1      1.199 ppm2      2.912 CV     1
 ASSI {  461}
   (( segid "    " and resid 95   and name HG11))
   (  segid "    " and resid 88   and name HD2%)
      3.300     1.300     1.300 peak   461 spectrum    1 weight  0.11000E+01 volume  0.73666E-03 ppm1      1.187 ppm2      0.344 CV     1
 ASSI {  463}
   (( segid "    " and resid 95   and name HG11))
   (( segid "    " and resid 95   and name HB  ))
      2.500     0.800     0.800 peak   463 spectrum    1 weight  0.11000E+01 volume  0.33172E-02 ppm1      1.199 ppm2      1.833 CV     1
 ASSI {  465}
   (( segid "    " and resid 95   and name HG11))
   (( segid "    " and resid 95   and name HG12))
      2.000     0.500     0.500 peak   465 spectrum    1 weight  0.11000E+01 volume  0.14288E-01 ppm1      1.198 ppm2      1.586 CV     1
 ASSI {  466}
   (( segid "    " and resid 95   and name HG12))
   (( segid "    " and resid 69   and name HB2 ))
      3.000     3.000     3.000 peak   466 spectrum    1 weight  0.11000E+01 volume  0.13217E-02 ppm1      1.583 ppm2      2.439 CV     1
 ASSI {  467}
   (( segid "    " and resid 95   and name HG12))
   (( segid "    " and resid 69   and name HG2 ))
      3.200     1.300     1.300 peak   467 spectrum    1 weight  0.11000E+01 volume  0.86523E-03 ppm1      1.583 ppm2      2.912 CV     1
 ASSI {  468}
   (( segid "    " and resid 95   and name HG12))
   (  segid "    " and resid 88   and name HD2%)
      3.200     1.300     1.300 peak   468 spectrum    1 weight  0.11000E+01 volume  0.80921E-03 ppm1      1.581 ppm2      0.354 CV     1
 OR {  468}
   (( segid "    " and resid 95   and name HG12))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  470}
   (( segid "    " and resid 95   and name HG12))
   (  segid "    " and resid 95   and name HD1%)
      2.300     0.600     0.600 peak   470 spectrum    1 weight  0.11000E+01 volume  0.63255E-02 ppm1      1.583 ppm2      0.852 CV     1
 ASSI {  472}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 72   and name HB1 ))
      2.800     1.000     1.000 peak   472 spectrum    1 weight  0.11000E+01 volume  0.18452E-02 ppm1      0.867 ppm2      2.104 CV     1
 ASSI {  473}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 72   and name HG1 ))
      2.700     0.900     0.900 peak   473 spectrum    1 weight  0.11000E+01 volume  0.23030E-02 ppm1      0.870 ppm2      2.408 CV     1
 ASSI {  474}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      3.300     3.300     2.700 peak   474 spectrum    1 weight  0.11000E+01 volume  0.68106E-03 ppm1      0.870 ppm2      4.095 CV     1
 ASSI {  475}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HA  ))
      2.600     0.800     0.800 peak   475 spectrum    1 weight  0.11000E+01 volume  0.28778E-02 ppm1      0.870 ppm2      3.464 CV     1
 ASSI {  476}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HB  ))
      2.300     0.700     0.700 peak   476 spectrum    1 weight  0.11000E+01 volume  0.58572E-02 ppm1      0.870 ppm2      1.822 CV     1
 ASSI {  477}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HG11))
      2.500     0.800     0.800 peak   477 spectrum    1 weight  0.11000E+01 volume  0.38140E-02 ppm1      0.870 ppm2      1.206 CV     1
 ASSI {  478}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 96   and name HA  ))
      2.900     1.100     1.100 peak   478 spectrum    1 weight  0.11000E+01 volume  0.13407E-02 ppm1      0.870 ppm2      3.935 CV     1
 ASSI {  479}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      2.200     0.600     0.600 peak   479 spectrum    1 weight  0.11000E+01 volume  0.81202E-02 ppm1      3.943 ppm2      2.133 CV     1
 OR {  479}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  480}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG2 ))
      2.500     0.800     0.800 peak   480 spectrum    1 weight  0.11000E+01 volume  0.37097E-02 ppm1      3.941 ppm2      2.406 CV     1
 OR {  480}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG1 ))
 ASSI {  481}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
      2.800     2.800     3.200 peak   481 spectrum    1 weight  0.11000E+01 volume  0.17237E-02 ppm1      3.933 ppm2      1.467 CV     1
 ASSI {  482}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.600     0.800     0.800 peak   482 spectrum    1 weight  0.11000E+01 volume  0.30682E-02 ppm1      3.937 ppm2      1.864 CV     1
 ASSI {  483}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 99   and name HD2%)
      2.300     0.700     0.700 peak   483 spectrum    1 weight  0.11000E+01 volume  0.55282E-02 ppm1      3.942 ppm2      0.825 CV     1
 OR {  483}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 99   and name HD1%)
 ASSI {  484}
   (( segid "    " and resid 96   and name HB2 ))
   (  segid "    " and resid 95   and name HD1%)
      3.200     3.200     2.800 peak   484 spectrum    1 weight  0.11000E+01 volume  0.84953E-03 ppm1      2.134 ppm2      0.831 CV     1
 OR {  484}
   (( segid "    " and resid 96   and name HB1 ))
   (  segid "    " and resid 95   and name HD1%)
 ASSI {  487}
   (( segid "    " and resid 96   and name HG2 ))
   (  segid "    " and resid 99   and name HD2%)
      2.900     1.000     1.000 peak   487 spectrum    1 weight  0.11000E+01 volume  0.15514E-02 ppm1      2.413 ppm2      0.819 CV     1
 OR {  487}
   (( segid "    " and resid 96   and name HG2 ))
   (  segid "    " and resid 99   and name HD1%)
 OR {  487}
   (( segid "    " and resid 96   and name HG1 ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI {  489}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 97   and name HB% )
      2.000     0.500     0.500 peak   489 spectrum    1 weight  0.11000E+01 volume  0.12552E-01 ppm1      4.145 ppm2      1.393 CV     1
 ASSI {  490}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.400     0.700     0.700 peak   490 spectrum    1 weight  0.11000E+01 volume  0.45640E-02 ppm1      4.147 ppm2      2.086 CV     1
 ASSI {  491}
   (  segid "    " and resid 97   and name HB% )
   (( segid "    " and resid 91   and name HB  ))
      2.100     0.500     0.500 peak   491 spectrum    1 weight  0.11000E+01 volume  0.10541E-01 ppm1      1.391 ppm2      4.576 CV     1
 ASSI {  493}
   (  segid "    " and resid 97   and name HB% )
   (( segid "    " and resid 94   and name HB1 ))
      2.600     0.800     0.800 peak   493 spectrum    1 weight  0.11000E+01 volume  0.30693E-02 ppm1      1.387 ppm2      2.555 CV     1
 ASSI {  496}
   (  segid "    " and resid 97   and name HB% )
   (( segid "    " and resid 98   and name HA  ))
      3.300     1.400     1.400 peak   496 spectrum    1 weight  0.11000E+01 volume  0.62946E-03 ppm1      1.387 ppm2      3.806 CV     1
 ASSI {  499}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 88   and name HD1%)
      3.500     1.500     1.500 peak   499 spectrum    1 weight  0.11000E+01 volume  0.50278E-03 ppm1      3.799 ppm2      0.354 CV     1
 ASSI {  500}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 91   and name HG2%)
      2.300     0.600     0.600 peak   500 spectrum    1 weight  0.11000E+01 volume  0.63775E-02 ppm1      3.793 ppm2      1.002 CV     1
 ASSI {  502}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.700     0.900     0.900 peak   502 spectrum    1 weight  0.11000E+01 volume  0.23615E-02 ppm1      3.796 ppm2      1.573 CV     1
 ASSI {  503}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.800     2.800     3.200 peak   503 spectrum    1 weight  0.11000E+01 volume  0.16563E-02 ppm1      3.789 ppm2      1.860 CV     1
 ASSI {  504}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 101  and name HD2%)
      2.600     0.900     0.900 peak   504 spectrum    1 weight  0.11000E+01 volume  0.25964E-02 ppm1      3.794 ppm2      0.839 CV     1
 OR {  504}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 101  and name HD1%)
 ASSI {  506}
   (  segid "    " and resid 98   and name HB% )
   (( segid "    " and resid 95   and name HA  ))
      2.200     2.200     3.800 peak   506 spectrum    1 weight  0.11000E+01 volume  0.78853E-02 ppm1      1.212 ppm2      3.492 CV     1
 ASSI {  507}
   (  segid "    " and resid 98   and name HB% )
   (( segid "    " and resid 98   and name HA  ))
      2.100     0.500     0.500 peak   507 spectrum    1 weight  0.11000E+01 volume  0.11275E-01 ppm1      1.220 ppm2      3.790 CV     1
 ASSI {  508}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
      2.300     0.700     0.700 peak   508 spectrum    1 weight  0.11000E+01 volume  0.55134E-02 ppm1      3.717 ppm2      1.452 CV     1
 ASSI {  509}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.500     0.800     0.800 peak   509 spectrum    1 weight  0.11000E+01 volume  0.34904E-02 ppm1      3.713 ppm2      1.867 CV     1
 ASSI {  510}
   (( segid "    " and resid 99   and name HA  ))
   (  segid "    " and resid 99   and name HD1%)
      2.100     0.500     0.500 peak   510 spectrum    1 weight  0.11000E+01 volume  0.10434E-01 ppm1      3.713 ppm2      0.806 CV     1
 OR {  510}
   (( segid "    " and resid 99   and name HA  ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI {  511}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 102  and name HB  ))
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.11000E+01 volume  0.83933E-02 ppm1      3.715 ppm2      1.609 CV     1
 ASSI {  514}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HB2 ))
      1.900     0.500     0.500 peak   514 spectrum    1 weight  0.11000E+01 volume  0.16834E-01 ppm1      1.454 ppm2      1.860 CV     1
 ASSI {  515}
   (( segid "    " and resid 99   and name HB1 ))
   (  segid "    " and resid 99   and name HD1%)
      2.300     0.600     0.600 peak   515 spectrum    1 weight  0.11000E+01 volume  0.66585E-02 ppm1      1.453 ppm2      0.820 CV     1
 OR {  515}
   (( segid "    " and resid 99   and name HB1 ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI {  517}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
      2.700     2.700     3.300 peak   517 spectrum    1 weight  0.11000E+01 volume  0.20956E-02 ppm1      0.800 ppm2      2.345 CV     1
 OR {  517}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  518}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 84   and name HB1 ))
      2.900     2.900     3.100 peak   518 spectrum    1 weight  0.11000E+01 volume  0.13707E-02 ppm1      0.798 ppm2      3.483 CV     1
 OR {  518}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 84   and name HB1 ))
 ASSI {  519}
   (  segid "    " and resid 99   and name HD1%)
   (  segid "    " and resid 98   and name HB% )
      2.400     0.700     0.700 peak   519 spectrum    1 weight  0.11000E+01 volume  0.45588E-02 ppm1      0.804 ppm2      1.222 CV     1
 OR {  519}
   (  segid "    " and resid 99   and name HD2%)
   (  segid "    " and resid 98   and name HB% )
 ASSI {  521}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HB2 ))
      2.000     2.000     4.000 peak   521 spectrum    1 weight  0.11000E+01 volume  0.13016E-01 ppm1      0.800 ppm2      1.800 CV     1
 OR {  521}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 99   and name HB1 ))
 OR {  521}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HB1 ))
 ASSI {  522}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HG  ))
      2.000     0.500     0.500 peak   522 spectrum    1 weight  0.11000E+01 volume  0.13182E-01 ppm1      0.803 ppm2      1.662 CV     1
 OR {  522}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 99   and name HG  ))
 ASSI {  523}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 99   and name HA  ))
      3.000     1.100     1.100 peak   523 spectrum    1 weight  0.11000E+01 volume  0.11916E-02 ppm1      1.665 ppm2      3.734 CV     1
 ASSI {  524}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.100     0.600     0.600 peak   524 spectrum    1 weight  0.11000E+01 volume  0.10055E-01 ppm1      1.662 ppm2      1.862 CV     1
 ASSI {  526}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.000     0.500     0.500 peak   526 spectrum    1 weight  0.11000E+01 volume  0.12356E-01 ppm1      4.007 ppm2      2.082 CV     1
 OR {  526}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI {  527}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      2.900     1.100     1.100 peak   527 spectrum    1 weight  0.11000E+01 volume  0.13411E-02 ppm1      4.020 ppm2      3.015 CV     1
 ASSI {  528}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.300     1.300     1.300 peak   528 spectrum    1 weight  0.11000E+01 volume  0.74352E-03 ppm1      4.009 ppm2      3.298 CV     1
 ASSI {  531}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 99   and name HB1 ))
      3.100     1.200     1.200 peak   531 spectrum    1 weight  0.11000E+01 volume  0.10847E-02 ppm1      2.379 ppm2      1.446 CV     1
 OR {  531}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI {  532}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 100  and name HA  ))
      2.500     0.800     0.800 peak   532 spectrum    1 weight  0.11000E+01 volume  0.32586E-02 ppm1      2.369 ppm2      4.014 CV     1
 OR {  532}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HA  ))
 ASSI {  534}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.300     0.700     0.700 peak   534 spectrum    1 weight  0.11000E+01 volume  0.55954E-02 ppm1      4.111 ppm2      1.865 CV     1
 ASSI {  537}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 101  and name HA  ))
      2.600     0.800     0.800 peak   537 spectrum    1 weight  0.11000E+01 volume  0.29760E-02 ppm1      1.571 ppm2      4.122 CV     1
 ASSI {  538}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 101  and name HB2 ))
      2.000     0.500     0.500 peak   538 spectrum    1 weight  0.11000E+01 volume  0.12858E-01 ppm1      1.574 ppm2      1.851 CV     1
 ASSI {  539}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 101  and name HD2%)
      2.500     0.800     0.800 peak   539 spectrum    1 weight  0.11000E+01 volume  0.36053E-02 ppm1      1.563 ppm2      0.838 CV     1
 OR {  539}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 101  and name HD1%)
 ASSI {  541}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 101  and name HD1%)
      2.700     0.900     0.900 peak   541 spectrum    1 weight  0.11000E+01 volume  0.24228E-02 ppm1      1.870 ppm2      0.841 CV     1
 OR {  541}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 101  and name HD2%)
 ASSI {  542}
   (  segid "    " and resid 101  and name HD1%)
   (( segid "    " and resid 101  and name HB2 ))
      2.200     0.600     0.600 peak   542 spectrum    1 weight  0.11000E+01 volume  0.76634E-02 ppm1      0.858 ppm2      1.877 CV     1
 ASSI {  543}
   (  segid "    " and resid 101  and name HD2%)
   (  segid "    " and resid 87   and name HB% )
      2.100     2.100     3.900 peak   543 spectrum    1 weight  0.11000E+01 volume  0.11810E-01 ppm1      0.803 ppm2      1.431 CV     1
 ASSI {  544}
   (  segid "    " and resid 101  and name HD2%)
   (  segid "    " and resid 97   and name HB% )
      2.100     2.100     3.900 peak   544 spectrum    1 weight  0.11000E+01 volume  0.10366E-01 ppm1      0.798 ppm2      1.373 CV     1
 ASSI {  546}
   (  segid "    " and resid 101  and name HD2%)
   (( segid "    " and resid 100  and name HB1 ))
      2.800     1.000     1.000 peak   546 spectrum    1 weight  0.11000E+01 volume  0.16758E-02 ppm1      0.808 ppm2      2.069 CV     1
 OR {  546}
   (  segid "    " and resid 101  and name HD2%)
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {  548}
   (  segid "    " and resid 101  and name HD2%)
   (( segid "    " and resid 101  and name HA  ))
      2.100     0.500     0.500 peak   548 spectrum    1 weight  0.11000E+01 volume  0.11178E-01 ppm1      0.808 ppm2      4.115 CV     1
 ASSI {  549}
   (( segid "    " and resid 101  and name HG  ))
   (( segid "    " and resid 101  and name HA  ))
      3.000     1.100     1.100 peak   549 spectrum    1 weight  0.11000E+01 volume  0.11984E-02 ppm1      1.656 ppm2      4.115 CV     1
 ASSI {  550}
   (( segid "    " and resid 102  and name HA  ))
   (  segid "    " and resid 83   and name HD2%)
      2.500     0.800     0.800 peak   550 spectrum    1 weight  0.11000E+01 volume  0.33794E-02 ppm1      3.437 ppm2      0.899 CV     1
 ASSI {  552}
   (( segid "    " and resid 102  and name HA  ))
   (  segid "    " and resid 102  and name HD1%)
      2.300     2.300     3.700 peak   552 spectrum    1 weight  0.11000E+01 volume  0.61838E-02 ppm1      3.436 ppm2      0.525 CV     1
 ASSI {  553}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HG11))
      2.200     0.600     0.600 peak   553 spectrum    1 weight  0.11000E+01 volume  0.87841E-02 ppm1      3.438 ppm2      0.663 CV     1
 ASSI {  555}
   (( segid "    " and resid 102  and name HB  ))
   (( segid "    " and resid 102  and name HA  ))
      2.800     1.000     1.000 peak   555 spectrum    1 weight  0.11000E+01 volume  0.16676E-02 ppm1      1.595 ppm2      3.442 CV     1
 ASSI {  557}
   (( segid "    " and resid 102  and name HB  ))
   (  segid "    " and resid 102  and name HG2%)
      2.300     0.700     0.700 peak   557 spectrum    1 weight  0.11000E+01 volume  0.62486E-02 ppm1      1.593 ppm2      0.683 CV     1
 ASSI {  558}
   (  segid "    " and resid 102  and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
      3.600     1.600     1.600 peak   558 spectrum    1 weight  0.11000E+01 volume  0.39951E-03 ppm1      0.520 ppm2      4.013 CV     1
 ASSI {  559}
   (  segid "    " and resid 102  and name HD1%)
   (( segid "    " and resid 99   and name HA  ))
      3.000     1.100     1.100 peak   559 spectrum    1 weight  0.11000E+01 volume  0.12692E-02 ppm1      0.517 ppm2      3.732 CV     1
 ASSI {  561}
   (  segid "    " and resid 102  and name HD1%)
   (( segid "    " and resid 102  and name HB  ))
      2.000     0.500     0.500 peak   561 spectrum    1 weight  0.11000E+01 volume  0.12636E-01 ppm1      0.518 ppm2      1.600 CV     1
 ASSI {  562}
   (  segid "    " and resid 102  and name HD1%)
   (( segid "    " and resid 103  and name HA  ))
      2.900     2.900     3.100 peak   562 spectrum    1 weight  0.11000E+01 volume  0.14491E-02 ppm1      0.517 ppm2      4.619 CV     1
 ASSI {  563}
   (( segid "    " and resid 102  and name HG11))
   (( segid "    " and resid 98   and name HA  ))
      3.100     1.200     1.200 peak   563 spectrum    1 weight  0.11000E+01 volume  0.10026E-02 ppm1      0.664 ppm2      3.772 CV     1
 ASSI {  566}
   (( segid "    " and resid 102  and name HG12))
   (( segid "    " and resid 102  and name HA  ))
      2.700     0.900     0.900 peak   566 spectrum    1 weight  0.11000E+01 volume  0.20794E-02 ppm1      1.631 ppm2      3.443 CV     1
 ASSI {  567}
   (( segid "    " and resid 102  and name HG12))
   (( segid "    " and resid 102  and name HG11))
      2.000     0.500     0.500 peak   567 spectrum    1 weight  0.11000E+01 volume  0.13022E-01 ppm1      1.632 ppm2      0.668 CV     1
 ASSI {  568}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 83   and name HG  ))
      2.200     0.600     0.600 peak   568 spectrum    1 weight  0.11000E+01 volume  0.78625E-02 ppm1      0.681 ppm2      1.434 CV     1
 ASSI {  569}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   569 spectrum    1 weight  0.11000E+01 volume  0.34934E-02 ppm1      0.680 ppm2      3.442 CV     1
 ASSI {  570}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 102  and name HG12))
      1.900     0.500     0.500 peak   570 spectrum    1 weight  0.11000E+01 volume  0.17841E-01 ppm1      0.681 ppm2      1.620 CV     1
 ASSI {  571}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 102  and name HB  ))
      3.600     1.600     1.600 peak   571 spectrum    1 weight  0.11000E+01 volume  0.40259E-03 ppm1      4.620 ppm2      1.597 CV     1
 ASSI {  573}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      2.500     0.800     0.800 peak   573 spectrum    1 weight  0.11000E+01 volume  0.33570E-02 ppm1      4.616 ppm2      3.013 CV     1
 ASSI {  574}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      2.400     0.700     0.700 peak   574 spectrum    1 weight  0.11000E+01 volume  0.50363E-02 ppm1      4.617 ppm2      3.293 CV     1
 ASSI {  577}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HB2 ))
      1.900     0.500     0.500 peak   577 spectrum    1 weight  0.11000E+01 volume  0.17516E-01 ppm1      3.011 ppm2      3.294 CV     1
 ASSI {  581}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 104  and name HB% )
      2.100     0.500     0.500 peak   581 spectrum    1 weight  0.11000E+01 volume  0.10498E-01 ppm1      4.373 ppm2      1.537 CV     1
 ASSI {  582}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 101  and name HA  ))
      2.300     2.300     3.700 peak   582 spectrum    1 weight  0.11000E+01 volume  0.67390E-02 ppm1      1.524 ppm2      4.134 CV     1
 ASSI {  584}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 101  and name HD1%)
      3.000     1.100     1.100 peak   584 spectrum    1 weight  0.11000E+01 volume  0.12982E-02 ppm1      4.532 ppm2      0.831 CV     1
 OR {  584}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 101  and name HD2%)
 ASSI {  585}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 107  and name HB% )
      2.300     0.600     0.600 peak   585 spectrum    1 weight  0.11000E+01 volume  0.66248E-02 ppm1      4.532 ppm2      1.288 CV     1
 ASSI {  586}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HD1 ))
      2.400     0.700     0.700 peak   586 spectrum    1 weight  0.11000E+01 volume  0.44089E-02 ppm1      4.532 ppm2      3.583 CV     1
 OR {  586}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HD2 ))
 ASSI {  588}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 108  and name HD1 ))
      3.000     1.100     1.100 peak   588 spectrum    1 weight  0.11000E+01 volume  0.11696E-02 ppm1      1.285 ppm2      3.514 CV     1
 ASSI {  589}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB1 ))
      3.000     1.100     1.100 peak   589 spectrum    1 weight  0.11000E+01 volume  0.12466E-02 ppm1      4.194 ppm2      1.883 CV     1
 ASSI {  590}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
      2.800     1.000     1.000 peak   590 spectrum    1 weight  0.11000E+01 volume  0.19109E-02 ppm1      4.195 ppm2      2.145 CV     1
 ASSI {  591}
   (( segid "    " and resid 108  and name HD1 ))
   (  segid "    " and resid 101  and name HD2%)
      3.300     1.300     1.300 peak   591 spectrum    1 weight  0.11000E+01 volume  0.70452E-03 ppm1      3.518 ppm2      0.814 CV     1
 ASSI {  592}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 107  and name HA  ))
      2.600     0.900     0.900 peak   592 spectrum    1 weight  0.11000E+01 volume  0.25457E-02 ppm1      3.521 ppm2      4.533 CV     1
 ASSI {  594}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 108  and name HB2 ))
      3.600     1.600     1.600 peak   594 spectrum    1 weight  0.11000E+01 volume  0.41324E-03 ppm1      3.521 ppm2      2.152 CV     1
 ASSI {  595}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 108  and name HG2 ))
      2.500     0.800     0.800 peak   595 spectrum    1 weight  0.11000E+01 volume  0.39374E-02 ppm1      3.522 ppm2      1.913 CV     1
 OR {  595}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 108  and name HG1 ))
 ASSI {  596}
   (( segid "    " and resid 108  and name HD2 ))
   (  segid "    " and resid 101  and name HD2%)
      3.300     1.400     1.400 peak   596 spectrum    1 weight  0.11000E+01 volume  0.68615E-03 ppm1      3.627 ppm2      0.819 CV     1
 ASSI {  597}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 107  and name HA  ))
      2.600     0.800     0.800 peak   597 spectrum    1 weight  0.11000E+01 volume  0.28110E-02 ppm1      3.626 ppm2      4.535 CV     1
 ASSI {  598}
   (( segid "    " and resid 108  and name HD2 ))
   (  segid "    " and resid 107  and name HB% )
      3.500     1.500     1.500 peak   598 spectrum    1 weight  0.11000E+01 volume  0.49392E-03 ppm1      3.626 ppm2      1.292 CV     1
 ASSI {  599}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HB2 ))
      3.500     1.500     1.500 peak   599 spectrum    1 weight  0.11000E+01 volume  0.50639E-03 ppm1      3.626 ppm2      2.144 CV     1
 ASSI {  600}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HG1 ))
      2.500     0.800     0.800 peak   600 spectrum    1 weight  0.11000E+01 volume  0.37232E-02 ppm1      3.628 ppm2      1.908 CV     1
 ASSI {    5}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      4.100     2.100     1.900 peak     5 spectrum    2 weight  0.10000E+01 volume  0.18225E-03 ppm1      8.257 ppm2      1.986 CV     1
 ASSI {    7}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
      4.200     2.200     1.800 peak     7 spectrum    2 weight  0.10000E+01 volume  0.16834E-03 ppm1      8.595 ppm2      0.955 CV     1
 OR {    7}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
 ASSI {   13}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.900     1.900     1.900 peak    13 spectrum    2 weight  0.10000E+01 volume  0.26228E-03 ppm1      7.949 ppm2      0.890 CV     1
 ASSI {   15}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.100     3.100     2.900 peak    15 spectrum    2 weight  0.10000E+01 volume  0.10595E-02 ppm1      8.778 ppm2      0.660 CV     1
 ASSI {   16}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.600     1.600     1.600 peak    16 spectrum    2 weight  0.10000E+01 volume  0.39820E-03 ppm1      8.775 ppm2      0.321 CV     1
 OR {   16}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   19}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      4.000     2.000     2.000 peak    19 spectrum    2 weight  0.10000E+01 volume  0.20228E-03 ppm1      7.949 ppm2      0.331 CV     1
 OR {   19}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {   22}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.400     1.500     1.500 peak    22 spectrum    2 weight  0.10000E+01 volume  0.53582E-03 ppm1      7.670 ppm2      1.896 CV     1
 OR {   22}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {   23}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak    23 spectrum    2 weight  0.10000E+01 volume  0.32544E-03 ppm1      8.003 ppm2      8.533 CV     1
 ASSI {   24}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.800     1.800     1.800 peak    24 spectrum    2 weight  0.10000E+01 volume  0.27731E-03 ppm1      8.005 ppm2      1.887 CV     1
 OR {   24}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {   25}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      4.300     2.300     1.700 peak    25 spectrum    2 weight  0.10000E+01 volume  0.14069E-03 ppm1      8.007 ppm2      2.057 CV     1
 ASSI {   26}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      4.000     2.000     2.000 peak    26 spectrum    2 weight  0.10000E+01 volume  0.21023E-03 ppm1      8.556 ppm2      3.712 CV     1
 ASSI {   27}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      2.900     1.000     1.000 peak    27 spectrum    2 weight  0.10000E+01 volume  0.15567E-02 ppm1      7.179 ppm2      0.802 CV     1
 ASSI {   28}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.600     1.600     1.600 peak    28 spectrum    2 weight  0.10000E+01 volume  0.40600E-03 ppm1      7.181 ppm2      1.845 CV     1
 ASSI {   30}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.100     3.100     2.900 peak    30 spectrum    2 weight  0.10000E+01 volume  0.96367E-03 ppm1      8.197 ppm2      2.363 CV     1
 ASSI {   32}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     3.000     3.000 peak    32 spectrum    2 weight  0.10000E+01 volume  0.11499E-02 ppm1      8.284 ppm2      4.758 CV     1
 ASSI {   33}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.700     1.700     1.700 peak    33 spectrum    2 weight  0.10000E+01 volume  0.32761E-03 ppm1      8.288 ppm2      2.883 CV     1
 ASSI {   35}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.600     0.800     0.800 peak    35 spectrum    2 weight  0.10000E+01 volume  0.30947E-02 ppm1      8.434 ppm2      1.586 CV     1
 ASSI {   38}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.500     1.500     1.500 peak    38 spectrum    2 weight  0.10000E+01 volume  0.49162E-03 ppm1      8.404 ppm2      0.950 CV     1
 OR {   38}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
 ASSI {   39}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.000     1.100     1.100 peak    39 spectrum    2 weight  0.10000E+01 volume  0.12878E-02 ppm1      8.404 ppm2      3.516 CV     1
 ASSI {   40}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      2.900     1.000     1.000 peak    40 spectrum    2 weight  0.10000E+01 volume  0.15383E-02 ppm1      8.406 ppm2      0.651 CV     1
 ASSI {   41}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.700     0.900     0.900 peak    41 spectrum    2 weight  0.10000E+01 volume  0.22575E-02 ppm1      8.403 ppm2      0.329 CV     1
 OR {   41}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   42}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 90   and name HB% )
      2.700     2.700     3.300 peak    42 spectrum    2 weight  0.10000E+01 volume  0.23336E-02 ppm1      8.153 ppm2      1.522 CV     1
 ASSI {   43}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.900     1.100     1.100 peak    43 spectrum    2 weight  0.10000E+01 volume  0.13989E-02 ppm1      7.682 ppm2      3.981 CV     1
 ASSI {   44}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
      3.400     3.400     2.600 peak    44 spectrum    2 weight  0.10000E+01 volume  0.57199E-03 ppm1      7.681 ppm2      0.801 CV     1
 ASSI {   46}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.900     1.900     1.900 peak    46 spectrum    2 weight  0.10000E+01 volume  0.26418E-03 ppm1      7.495 ppm2      0.320 CV     1
 OR {   46}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {   47}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      4.400     2.400     1.600 peak    47 spectrum    2 weight  0.10000E+01 volume  0.12264E-03 ppm1      7.495 ppm2      2.062 CV     1
 ASSI {   48}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      4.400     2.400     1.600 peak    48 spectrum    2 weight  0.10000E+01 volume  0.12585E-03 ppm1      7.498 ppm2      2.798 CV     1
 ASSI {   52}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 99   and name HD1%)
      2.600     0.800     0.800 peak    52 spectrum    2 weight  0.10000E+01 volume  0.31233E-02 ppm1      8.344 ppm2      0.797 CV     1
 OR {   52}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI {   53}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      2.600     0.800     0.800 peak    53 spectrum    2 weight  0.10000E+01 volume  0.31139E-02 ppm1      8.345 ppm2      1.206 CV     1
 ASSI {   59}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.400     1.500     1.500 peak    59 spectrum    2 weight  0.10000E+01 volume  0.51855E-03 ppm1      7.433 ppm2      1.216 CV     1
 ASSI {   60}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.700     1.700     1.700 peak    60 spectrum    2 weight  0.10000E+01 volume  0.34141E-03 ppm1      7.434 ppm2      1.001 CV     1
 ASSI {   61}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HG11))
      3.400     1.500     1.500 peak    61 spectrum    2 weight  0.10000E+01 volume  0.51925E-03 ppm1      7.433 ppm2      0.663 CV     1
 ASSI {   62}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.700     1.700     1.700 peak    62 spectrum    2 weight  0.10000E+01 volume  0.33565E-03 ppm1      8.123 ppm2      3.426 CV     1
 ASSI {   63}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.000     1.000 peak    63 spectrum    2 weight  0.11000E+01 volume  0.15958E-02 ppm1      8.263 ppm2      4.369 CV     1
 ASSI {   64}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak    64 spectrum    2 weight  0.11000E+01 volume  0.23295E-02 ppm1      8.590 ppm2      4.367 CV     1
 ASSI {   65}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      4.000     2.000     2.000 peak    65 spectrum    2 weight  0.11000E+01 volume  0.22626E-03 ppm1      8.097 ppm2      4.378 CV     1
 ASSI {   66}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.800     0.900     0.900 peak    66 spectrum    2 weight  0.11000E+01 volume  0.19850E-02 ppm1      8.263 ppm2      3.639 CV     1
 ASSI {   67}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.600     1.600     1.600 peak    67 spectrum    2 weight  0.11000E+01 volume  0.40186E-03 ppm1      8.591 ppm2      3.642 CV     1
 ASSI {   68}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.800     1.800     1.800 peak    68 spectrum    2 weight  0.11000E+01 volume  0.27211E-03 ppm1      8.093 ppm2      3.666 CV     1
 ASSI {   69}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.300     1.400     1.400 peak    69 spectrum    2 weight  0.11000E+01 volume  0.63423E-03 ppm1      8.591 ppm2      3.846 CV     1
 ASSI {   70}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.400     1.400     1.400 peak    70 spectrum    2 weight  0.11000E+01 volume  0.58721E-03 ppm1      8.094 ppm2      3.849 CV     1
 ASSI {   71}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.600     1.600     1.600 peak    71 spectrum    2 weight  0.11000E+01 volume  0.40069E-03 ppm1      8.591 ppm2      8.257 CV     1
 ASSI {   72}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak    72 spectrum    2 weight  0.11000E+01 volume  0.11887E-02 ppm1      8.591 ppm2      4.047 CV     1
 ASSI {   73}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak    73 spectrum    2 weight  0.11000E+01 volume  0.27297E-02 ppm1      8.094 ppm2      4.041 CV     1
 ASSI {   74}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.100     1.200     1.200 peak    74 spectrum    2 weight  0.11000E+01 volume  0.10062E-02 ppm1      8.591 ppm2      1.428 CV     1
 ASSI {   75}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.200     1.300     1.300 peak    75 spectrum    2 weight  0.11000E+01 volume  0.77739E-03 ppm1      8.092 ppm2      1.431 CV     1
 ASSI {   76}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      4.000     2.000     2.000 peak    76 spectrum    2 weight  0.11000E+01 volume  0.19805E-03 ppm1      8.259 ppm2      1.582 CV     1
 OR {   76}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
 ASSI {   77}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      2.700     0.900     0.900 peak    77 spectrum    2 weight  0.11000E+01 volume  0.20396E-02 ppm1      8.592 ppm2      1.562 CV     1
 OR {   77}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
 ASSI {   78}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      3.000     1.100     1.100 peak    78 spectrum    2 weight  0.11000E+01 volume  0.12333E-02 ppm1      8.094 ppm2      1.564 CV     1
 OR {   78}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
 ASSI {   80}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.800     2.900     1.200 peak    80 spectrum    2 weight  0.11000E+01 volume  0.67185E-04 ppm1      8.593 ppm2      5.160 CV     1
 ASSI {   81}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak    81 spectrum    2 weight  0.11000E+01 volume  0.21224E-02 ppm1      8.094 ppm2      5.153 CV     1
 ASSI {   82}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak    82 spectrum    2 weight  0.11000E+01 volume  0.95731E-03 ppm1      7.959 ppm2      5.153 CV     1
 ASSI {   83}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.800     1.800     1.800 peak    83 spectrum    2 weight  0.11000E+01 volume  0.30263E-03 ppm1      8.318 ppm2      5.159 CV     1
 ASSI {   84}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.500     2.600     1.500 peak    84 spectrum    2 weight  0.11000E+01 volume  0.97993E-04 ppm1      8.777 ppm2      5.155 CV     1
 ASSI {   85}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.700     2.700     1.300 peak    85 spectrum    2 weight  0.11000E+01 volume  0.84504E-04 ppm1      8.591 ppm2      3.076 CV     1
 ASSI {   86}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.000     1.200     1.200 peak    86 spectrum    2 weight  0.11000E+01 volume  0.10967E-02 ppm1      8.094 ppm2      3.066 CV     1
 ASSI {   87}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.900     1.900     1.900 peak    87 spectrum    2 weight  0.11000E+01 volume  0.25283E-03 ppm1      7.958 ppm2      3.071 CV     1
 ASSI {   88}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.200     2.200     1.800 peak    88 spectrum    2 weight  0.11000E+01 volume  0.16684E-03 ppm1      8.781 ppm2      3.076 CV     1
 ASSI {   89}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak    89 spectrum    2 weight  0.11000E+01 volume  0.10111E-02 ppm1      8.095 ppm2      3.460 CV     1
 ASSI {   90}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.800     1.800     1.800 peak    90 spectrum    2 weight  0.11000E+01 volume  0.29300E-03 ppm1      7.957 ppm2      3.468 CV     1
 ASSI {   91}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.800     1.800     1.800 peak    91 spectrum    2 weight  0.11000E+01 volume  0.29224E-03 ppm1      8.775 ppm2      3.472 CV     1
 ASSI {   92}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      4.200     2.200     1.800 peak    92 spectrum    2 weight  0.11000E+01 volume  0.15107E-03 ppm1      8.589 ppm2      6.987 CV     1
 ASSI {   93}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      3.400     1.400     1.400 peak    93 spectrum    2 weight  0.11000E+01 volume  0.55236E-03 ppm1      8.094 ppm2      6.994 CV     1
 ASSI {   94}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      4.300     2.300     1.700 peak    94 spectrum    2 weight  0.11000E+01 volume  0.14553E-03 ppm1      7.959 ppm2      6.988 CV     1
 ASSI {   95}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      4.000     2.000     2.000 peak    95 spectrum    2 weight  0.11000E+01 volume  0.21420E-03 ppm1      8.319 ppm2      6.982 CV     1
 ASSI {   96}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      4.300     4.300     1.700 peak    96 spectrum    2 weight  0.11000E+01 volume  0.13448E-03 ppm1      8.780 ppm2      6.983 CV     1
 ASSI {   97}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      3.700     1.700     1.700 peak    97 spectrum    2 weight  0.11000E+01 volume  0.33896E-03 ppm1      8.152 ppm2      6.985 CV     1
 ASSI {   98}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      3.700     1.700     1.700 peak    98 spectrum    2 weight  0.11000E+01 volume  0.32159E-03 ppm1      8.411 ppm2      6.984 CV     1
 ASSI {   99}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 66   and name HE1 ))
      4.100     2.100     1.900 peak    99 spectrum    2 weight  0.11000E+01 volume  0.18985E-03 ppm1      8.153 ppm2     10.002 CV     1
 ASSI {  100}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HE3 ))
      4.600     2.600     1.400 peak   100 spectrum    2 weight  0.11000E+01 volume  0.94838E-04 ppm1      8.590 ppm2      7.479 CV     1
 ASSI {  101}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HE3 ))
      3.400     1.500     1.500 peak   101 spectrum    2 weight  0.11000E+01 volume  0.52167E-03 ppm1      8.095 ppm2      7.476 CV     1
 ASSI {  102}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.300     1.300 peak   102 spectrum    2 weight  0.11000E+01 volume  0.80266E-03 ppm1      8.590 ppm2      8.090 CV     1
 ASSI {  103}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   103 spectrum    2 weight  0.11000E+01 volume  0.21186E-02 ppm1      7.960 ppm2      4.081 CV     1
 ASSI {  104}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     2.700     3.300 peak   104 spectrum    2 weight  0.11000E+01 volume  0.20783E-02 ppm1      8.318 ppm2      4.081 CV     1
 ASSI {  105}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.000     1.000 peak   105 spectrum    2 weight  0.11000E+01 volume  0.14836E-02 ppm1      8.778 ppm2      4.090 CV     1
 ASSI {  106}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.400     1.400     1.400 peak   106 spectrum    2 weight  0.11000E+01 volume  0.56230E-03 ppm1      8.080 ppm2      4.096 CV     1
 ASSI {  107}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.000     2.000     2.000 peak   107 spectrum    2 weight  0.11000E+01 volume  0.20145E-03 ppm1      8.092 ppm2      2.239 CV     1
 OR {  107}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  108}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.500     2.500     3.500 peak   108 spectrum    2 weight  0.11000E+01 volume  0.35078E-02 ppm1      7.960 ppm2      2.220 CV     1
 ASSI {  109}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      2.900     1.100     1.100 peak   109 spectrum    2 weight  0.11000E+01 volume  0.13688E-02 ppm1      7.957 ppm2      2.436 CV     1
 OR {  109}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  110}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.000     1.100     1.100 peak   110 spectrum    2 weight  0.11000E+01 volume  0.12218E-02 ppm1      8.093 ppm2      7.955 CV     1
 ASSI {  111}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.500     1.500     1.500 peak   111 spectrum    2 weight  0.11000E+01 volume  0.49614E-03 ppm1      8.319 ppm2      4.352 CV     1
 ASSI {  112}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.600     2.600     1.400 peak   112 spectrum    2 weight  0.11000E+01 volume  0.94820E-04 ppm1      8.773 ppm2      4.355 CV     1
 ASSI {  113}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.500     1.500 peak   113 spectrum    2 weight  0.11000E+01 volume  0.54377E-03 ppm1      8.081 ppm2      4.348 CV     1
 ASSI {  114}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.800     1.800     1.800 peak   114 spectrum    2 weight  0.11000E+01 volume  0.28817E-03 ppm1      7.622 ppm2      4.368 CV     1
 ASSI {  115}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.200     3.200     2.800 peak   115 spectrum    2 weight  0.11000E+01 volume  0.73703E-03 ppm1      7.611 ppm2      1.801 CV     1
 ASSI {  116}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HD2 ))
      2.700     0.900     0.900 peak   116 spectrum    2 weight  0.11000E+01 volume  0.22622E-02 ppm1      7.959 ppm2      3.821 CV     1
 OR {  116}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HD1 ))
 ASSI {  117}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HD2 ))
      2.700     0.900     0.900 peak   117 spectrum    2 weight  0.11000E+01 volume  0.22491E-02 ppm1      8.318 ppm2      3.841 CV     1
 ASSI {  118}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.400     1.500     1.500 peak   118 spectrum    2 weight  0.11000E+01 volume  0.53635E-03 ppm1      8.321 ppm2      1.992 CV     1
 ASSI {  119}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.000     3.000     3.000 peak   119 spectrum    2 weight  0.11000E+01 volume  0.11826E-02 ppm1      8.318 ppm2      2.184 CV     1
 ASSI {  120}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.900     0.900 peak   120 spectrum    2 weight  0.11000E+01 volume  0.25398E-02 ppm1      7.622 ppm2      4.085 CV     1
 ASSI {  121}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.600     2.600     3.400 peak   121 spectrum    2 weight  0.11000E+01 volume  0.29219E-02 ppm1      8.320 ppm2      1.788 CV     1
 ASSI {  122}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.600     1.600     1.600 peak   122 spectrum    2 weight  0.11000E+01 volume  0.39775E-03 ppm1      8.092 ppm2      2.410 CV     1
 ASSI {  123}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.500     0.800     0.800 peak   123 spectrum    2 weight  0.11000E+01 volume  0.32231E-02 ppm1      8.319 ppm2      2.402 CV     1
 ASSI {  124}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.000     1.100     1.100 peak   124 spectrum    2 weight  0.11000E+01 volume  0.13067E-02 ppm1      8.778 ppm2      2.413 CV     1
 ASSI {  125}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      3.200     1.300     1.300 peak   125 spectrum    2 weight  0.11000E+01 volume  0.78481E-03 ppm1      8.317 ppm2      2.924 CV     1
 ASSI {  126}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      4.200     2.200     1.800 peak   126 spectrum    2 weight  0.11000E+01 volume  0.15885E-03 ppm1      8.790 ppm2      2.936 CV     1
 ASSI {  127}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak   127 spectrum    2 weight  0.11000E+01 volume  0.16330E-02 ppm1      8.777 ppm2      8.322 CV     1
 ASSI {  128}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.200     2.200     1.800 peak   128 spectrum    2 weight  0.11000E+01 volume  0.15881E-03 ppm1      7.616 ppm2      8.319 CV     1
 ASSI {  129}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak   129 spectrum    2 weight  0.11000E+01 volume  0.16516E-02 ppm1      8.777 ppm2      3.907 CV     1
 ASSI {  130}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.200     1.200 peak   130 spectrum    2 weight  0.11000E+01 volume  0.86797E-03 ppm1      7.950 ppm2      3.920 CV     1
 ASSI {  131}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      3.400     1.500     1.500 peak   131 spectrum    2 weight  0.11000E+01 volume  0.55050E-03 ppm1      8.542 ppm2      1.506 CV     1
 ASSI {  132}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak   132 spectrum    2 weight  0.11000E+01 volume  0.20156E-02 ppm1      8.779 ppm2      1.860 CV     1
 ASSI {  133}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak   133 spectrum    2 weight  0.11000E+01 volume  0.18766E-02 ppm1      8.081 ppm2      1.875 CV     1
 ASSI {  134}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.100     1.200     1.200 peak   134 spectrum    2 weight  0.11000E+01 volume  0.10242E-02 ppm1      8.777 ppm2      0.861 CV     1
 ASSI {  135}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.400     1.400     1.400 peak   135 spectrum    2 weight  0.11000E+01 volume  0.58089E-03 ppm1      8.081 ppm2      0.838 CV     1
 ASSI {  136}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      2.600     0.800     0.800 peak   136 spectrum    2 weight  0.11000E+01 volume  0.30084E-02 ppm1      8.777 ppm2      1.486 CV     1
 ASSI {  137}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      2.900     1.100     1.100 peak   137 spectrum    2 weight  0.11000E+01 volume  0.13105E-02 ppm1      8.081 ppm2      1.479 CV     1
 ASSI {  139}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak   139 spectrum    2 weight  0.11000E+01 volume  0.16230E-02 ppm1      8.081 ppm2      8.779 CV     1
 ASSI {  141}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   141 spectrum    2 weight  0.11000E+01 volume  0.17607E-02 ppm1      8.081 ppm2      3.809 CV     1
 ASSI {  142}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.300     1.300 peak   142 spectrum    2 weight  0.11000E+01 volume  0.79578E-03 ppm1      7.620 ppm2      3.808 CV     1
 ASSI {  143}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.600     1.700     1.700 peak   143 spectrum    2 weight  0.11000E+01 volume  0.37061E-03 ppm1      7.949 ppm2      3.814 CV     1
 ASSI {  144}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.000     1.000 peak   144 spectrum    2 weight  0.11000E+01 volume  0.15171E-02 ppm1      8.540 ppm2      3.815 CV     1
 ASSI {  145}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak   145 spectrum    2 weight  0.11000E+01 volume  0.42890E-03 ppm1      8.789 ppm2      2.198 CV     1
 OR {  145}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  146}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.400     0.700     0.700 peak   146 spectrum    2 weight  0.11000E+01 volume  0.44118E-02 ppm1      8.082 ppm2      2.191 CV     1
 OR {  146}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  147}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.000     1.000 peak   147 spectrum    2 weight  0.11000E+01 volume  0.15676E-02 ppm1      8.081 ppm2      2.420 CV     1
 OR {  147}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  149}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     0.900     0.900 peak   149 spectrum    2 weight  0.11000E+01 volume  0.21550E-02 ppm1      7.620 ppm2      8.081 CV     1
 ASSI {  150}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.600     0.800     0.800 peak   150 spectrum    2 weight  0.11000E+01 volume  0.29034E-02 ppm1      7.620 ppm2      4.136 CV     1
 ASSI {  151}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.000     1.000 peak   151 spectrum    2 weight  0.11000E+01 volume  0.15401E-02 ppm1      8.535 ppm2      4.143 CV     1
 ASSI {  152}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.500     0.800     0.800 peak   152 spectrum    2 weight  0.11000E+01 volume  0.36329E-02 ppm1      7.621 ppm2      2.114 CV     1
 ASSI {  153}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.300     3.300     2.700 peak   153 spectrum    2 weight  0.11000E+01 volume  0.68326E-03 ppm1      7.670 ppm2      2.096 CV     1
 ASSI {  154}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     2.400     3.600 peak   154 spectrum    2 weight  0.11000E+01 volume  0.48479E-02 ppm1      7.621 ppm2      2.350 CV     1
 ASSI {  155}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.900     1.100     1.100 peak   155 spectrum    2 weight  0.11000E+01 volume  0.13709E-02 ppm1      7.948 ppm2      2.357 CV     1
 ASSI {  156}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.800     1.000     1.000 peak   156 spectrum    2 weight  0.11000E+01 volume  0.17818E-02 ppm1      7.621 ppm2      2.558 CV     1
 ASSI {  157}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.700     1.700     1.700 peak   157 spectrum    2 weight  0.11000E+01 volume  0.32788E-03 ppm1      8.779 ppm2      7.623 CV     1
 ASSI {  159}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak   159 spectrum    2 weight  0.11000E+01 volume  0.21981E-02 ppm1      7.950 ppm2      7.622 CV     1
 ASSI {  160}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.900     0.900 peak   160 spectrum    2 weight  0.11000E+01 volume  0.24890E-02 ppm1      7.949 ppm2      4.091 CV     1
 ASSI {  161}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   161 spectrum    2 weight  0.11000E+01 volume  0.12654E-02 ppm1      8.544 ppm2      4.103 CV     1
 ASSI {  162}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   162 spectrum    2 weight  0.11000E+01 volume  0.12317E-02 ppm1      8.515 ppm2      4.110 CV     1
 ASSI {  163}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   163 spectrum    2 weight  0.11000E+01 volume  0.11991E-02 ppm1      7.675 ppm2      4.094 CV     1
 ASSI {  164}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.800     1.000     1.000 peak   164 spectrum    2 weight  0.11000E+01 volume  0.16869E-02 ppm1      7.949 ppm2      1.372 CV     1
 ASSI {  165}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.000     1.100     1.100 peak   165 spectrum    2 weight  0.11000E+01 volume  0.12720E-02 ppm1      8.541 ppm2      1.379 CV     1
 ASSI {  166}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak   166 spectrum    2 weight  0.11000E+01 volume  0.25610E-02 ppm1      7.949 ppm2      2.038 CV     1
 ASSI {  167}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
      3.100     1.200     1.200 peak   167 spectrum    2 weight  0.11000E+01 volume  0.96870E-03 ppm1      7.621 ppm2      0.816 CV     1
 OR {  167}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI {  168}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      2.600     0.900     0.900 peak   168 spectrum    2 weight  0.11000E+01 volume  0.26180E-02 ppm1      7.948 ppm2      0.782 CV     1
 OR {  168}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI {  169}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
      3.000     1.100     1.100 peak   169 spectrum    2 weight  0.11000E+01 volume  0.12181E-02 ppm1      8.546 ppm2      0.786 CV     1
 OR {  169}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI {  170}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG  ))
      2.600     0.800     0.800 peak   170 spectrum    2 weight  0.11000E+01 volume  0.29612E-02 ppm1      7.950 ppm2      1.783 CV     1
 ASSI {  172}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak   172 spectrum    2 weight  0.11000E+01 volume  0.22150E-02 ppm1      8.543 ppm2      7.954 CV     1
 ASSI {  173}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak   173 spectrum    2 weight  0.11000E+01 volume  0.32246E-02 ppm1      8.535 ppm2      4.389 CV     1
 ASSI {  174}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD1 ))
      3.300     1.300     1.300 peak   174 spectrum    2 weight  0.11000E+01 volume  0.72183E-03 ppm1      8.543 ppm2      3.108 CV     1
 ASSI {  175}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      2.700     0.900     0.900 peak   175 spectrum    2 weight  0.11000E+01 volume  0.23454E-02 ppm1      8.541 ppm2      1.725 CV     1
 ASSI {  176}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.300     0.700     0.700 peak   176 spectrum    2 weight  0.11000E+01 volume  0.60472E-02 ppm1      8.541 ppm2      1.895 CV     1
 ASSI {  177}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.500     1.500 peak   177 spectrum    2 weight  0.11000E+01 volume  0.50443E-03 ppm1      7.616 ppm2      8.532 CV     1
 ASSI {  179}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.800     0.800 peak   179 spectrum    2 weight  0.11000E+01 volume  0.28555E-02 ppm1      8.534 ppm2      4.436 CV     1
 ASSI {  180}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak   180 spectrum    2 weight  0.11000E+01 volume  0.23483E-02 ppm1      8.524 ppm2      2.725 CV     1
 ASSI {  181}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.600     0.800     0.800 peak   181 spectrum    2 weight  0.11000E+01 volume  0.30914E-02 ppm1      8.524 ppm2      2.891 CV     1
 ASSI {  182}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak   182 spectrum    2 weight  0.11000E+01 volume  0.23912E-02 ppm1      7.673 ppm2      8.526 CV     1
 ASSI {  183}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak   183 spectrum    2 weight  0.11000E+01 volume  0.31578E-02 ppm1      7.674 ppm2      4.439 CV     1
 ASSI {  184}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.500     0.800     0.800 peak   184 spectrum    2 weight  0.11000E+01 volume  0.39730E-02 ppm1      7.672 ppm2      2.324 CV     1
 ASSI {  185}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.200     1.300     1.300 peak   185 spectrum    2 weight  0.11000E+01 volume  0.76448E-03 ppm1      8.006 ppm2      2.310 CV     1
 ASSI {  186}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.400     1.500     1.500 peak   186 spectrum    2 weight  0.11000E+01 volume  0.51774E-03 ppm1      7.896 ppm2      2.309 CV     1
 ASSI {  187}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG1 ))
      2.700     0.900     0.900 peak   187 spectrum    2 weight  0.11000E+01 volume  0.23710E-02 ppm1      7.670 ppm2      2.877 CV     1
 ASSI {  188}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG1 ))
      3.600     1.600     1.600 peak   188 spectrum    2 weight  0.11000E+01 volume  0.37487E-03 ppm1      8.007 ppm2      2.887 CV     1
 ASSI {  189}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HG1 ))
      4.400     2.400     1.600 peak   189 spectrum    2 weight  0.11000E+01 volume  0.12269E-03 ppm1      7.897 ppm2      2.883 CV     1
 ASSI {  190}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      2.800     1.000     1.000 peak   190 spectrum    2 weight  0.11000E+01 volume  0.16753E-02 ppm1      7.674 ppm2      2.700 CV     1
 ASSI {  191}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      3.900     1.900     1.900 peak   191 spectrum    2 weight  0.11000E+01 volume  0.24285E-03 ppm1      8.007 ppm2      2.702 CV     1
 ASSI {  193}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak   193 spectrum    2 weight  0.11000E+01 volume  0.24891E-02 ppm1      8.008 ppm2      7.674 CV     1
 ASSI {  194}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.100     1.200     1.200 peak   194 spectrum    2 weight  0.11000E+01 volume  0.94502E-03 ppm1      7.897 ppm2      7.685 CV     1
 ASSI {  195}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      3.900     1.900     1.900 peak   195 spectrum    2 weight  0.11000E+01 volume  0.23337E-03 ppm1      7.675 ppm2      3.680 CV     1
 ASSI {  196}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      2.600     0.900     0.900 peak   196 spectrum    2 weight  0.11000E+01 volume  0.26719E-02 ppm1      8.006 ppm2      3.685 CV     1
 ASSI {  197}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      3.200     1.200     1.200 peak   197 spectrum    2 weight  0.11000E+01 volume  0.87358E-03 ppm1      7.897 ppm2      3.690 CV     1
 ASSI {  198}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA2 ))
      2.500     0.800     0.800 peak   198 spectrum    2 weight  0.11000E+01 volume  0.36649E-02 ppm1      8.010 ppm2      4.385 CV     1
 ASSI {  199}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA2 ))
      2.600     0.900     0.900 peak   199 spectrum    2 weight  0.11000E+01 volume  0.27267E-02 ppm1      7.896 ppm2      4.377 CV     1
 ASSI {  201}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.100     1.100 peak   201 spectrum    2 weight  0.11000E+01 volume  0.14214E-02 ppm1      7.897 ppm2      4.043 CV     1
 ASSI {  202}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   202 spectrum    2 weight  0.11000E+01 volume  0.58187E-02 ppm1      8.553 ppm2      4.037 CV     1
 ASSI {  203}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   203 spectrum    2 weight  0.11000E+01 volume  0.50741E-03 ppm1      7.180 ppm2      4.033 CV     1
 ASSI {  204}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      3.600     1.600     1.600 peak   204 spectrum    2 weight  0.11000E+01 volume  0.41706E-03 ppm1      7.669 ppm2      1.740 CV     1
 ASSI {  205}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      3.500     1.500     1.500 peak   205 spectrum    2 weight  0.11000E+01 volume  0.47859E-03 ppm1      8.005 ppm2      1.725 CV     1
 ASSI {  206}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.600     0.800     0.800 peak   206 spectrum    2 weight  0.11000E+01 volume  0.30585E-02 ppm1      7.896 ppm2      1.730 CV     1
 ASSI {  207}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.300     3.300     2.700 peak   207 spectrum    2 weight  0.11000E+01 volume  0.71628E-03 ppm1      7.674 ppm2      0.773 CV     1
 ASSI {  208}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.500     1.600     1.600 peak   208 spectrum    2 weight  0.11000E+01 volume  0.43687E-03 ppm1      8.007 ppm2      0.780 CV     1
 ASSI {  209}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      2.700     0.900     0.900 peak   209 spectrum    2 weight  0.11000E+01 volume  0.20915E-02 ppm1      7.896 ppm2      0.778 CV     1
 ASSI {  210}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      2.900     1.000     1.000 peak   210 spectrum    2 weight  0.11000E+01 volume  0.15750E-02 ppm1      8.555 ppm2      0.792 CV     1
 ASSI {  211}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.700     1.800     1.800 peak   211 spectrum    2 weight  0.11000E+01 volume  0.31174E-03 ppm1      7.677 ppm2      1.285 CV     1
 ASSI {  212}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.600     1.600     1.600 peak   212 spectrum    2 weight  0.11000E+01 volume  0.42762E-03 ppm1      8.007 ppm2      1.278 CV     1
 ASSI {  213}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      2.600     0.900     0.900 peak   213 spectrum    2 weight  0.11000E+01 volume  0.27043E-02 ppm1      7.896 ppm2      1.282 CV     1
 ASSI {  214}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.700     1.700     1.700 peak   214 spectrum    2 weight  0.11000E+01 volume  0.35385E-03 ppm1      8.558 ppm2      1.298 CV     1
 OR {  214}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
 ASSI {  216}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     1.000     1.000 peak   216 spectrum    2 weight  0.11000E+01 volume  0.16555E-02 ppm1      8.554 ppm2      4.426 CV     1
 ASSI {  217}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak   217 spectrum    2 weight  0.11000E+01 volume  0.82176E-03 ppm1      7.179 ppm2      4.429 CV     1
 ASSI {  218}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.800     1.000     1.000 peak   218 spectrum    2 weight  0.11000E+01 volume  0.18395E-02 ppm1      8.553 ppm2      1.860 CV     1
 ASSI {  219}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak   219 spectrum    2 weight  0.11000E+01 volume  0.20244E-02 ppm1      8.553 ppm2      2.264 CV     1
 ASSI {  220}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.600     1.600     1.600 peak   220 spectrum    2 weight  0.11000E+01 volume  0.40456E-03 ppm1      7.179 ppm2      2.250 CV     1
 ASSI {  221}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.400     1.400 peak   221 spectrum    2 weight  0.11000E+01 volume  0.57628E-03 ppm1      7.896 ppm2      8.541 CV     1
 ASSI {  223}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.800     1.800     1.800 peak   223 spectrum    2 weight  0.11000E+01 volume  0.29764E-03 ppm1      8.556 ppm2      4.750 CV     1
 ASSI {  224}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.300     1.300     1.300 peak   224 spectrum    2 weight  0.11000E+01 volume  0.68724E-03 ppm1      7.176 ppm2      4.729 CV     1
 ASSI {  225}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.400     0.700     0.700 peak   225 spectrum    2 weight  0.11000E+01 volume  0.40425E-02 ppm1      8.485 ppm2      4.723 CV     1
 ASSI {  226}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.300     1.400     1.400 peak   226 spectrum    2 weight  0.11000E+01 volume  0.67825E-03 ppm1      8.195 ppm2      4.720 CV     1
 ASSI {  227}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      4.200     2.200     1.800 peak   227 spectrum    2 weight  0.11000E+01 volume  0.15307E-03 ppm1      7.315 ppm2      4.729 CV     1
 ASSI {  228}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.000     1.100     1.100 peak   228 spectrum    2 weight  0.11000E+01 volume  0.12339E-02 ppm1      7.179 ppm2      2.517 CV     1
 ASSI {  229}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.300     1.300     1.300 peak   229 spectrum    2 weight  0.11000E+01 volume  0.72567E-03 ppm1      8.495 ppm2      2.539 CV     1
 ASSI {  230}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.900     1.900     1.900 peak   230 spectrum    2 weight  0.11000E+01 volume  0.24948E-03 ppm1      7.313 ppm2      2.521 CV     1
 ASSI {  231}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      4.100     2.100     1.900 peak   231 spectrum    2 weight  0.11000E+01 volume  0.18404E-03 ppm1      8.286 ppm2      2.531 CV     1
 ASSI {  232}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.300     2.400     1.700 peak   232 spectrum    2 weight  0.11000E+01 volume  0.12921E-03 ppm1      8.555 ppm2      2.866 CV     1
 ASSI {  233}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak   233 spectrum    2 weight  0.11000E+01 volume  0.11525E-02 ppm1      7.179 ppm2      2.861 CV     1
 ASSI {  234}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.500     1.500     1.500 peak   234 spectrum    2 weight  0.11000E+01 volume  0.48005E-03 ppm1      7.315 ppm2      2.861 CV     1
 ASSI {  235}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.800     1.000     1.000 peak   235 spectrum    2 weight  0.11000E+01 volume  0.17451E-02 ppm1      8.553 ppm2      7.179 CV     1
 ASSI {  236}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      3.500     1.600     1.600 peak   236 spectrum    2 weight  0.11000E+01 volume  0.43069E-03 ppm1      8.485 ppm2      7.188 CV     1
 ASSI {  238}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.400     2.500     1.600 peak   238 spectrum    2 weight  0.11000E+01 volume  0.11271E-03 ppm1      7.179 ppm2      4.235 CV     1
 ASSI {  239}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.100     1.100 peak   239 spectrum    2 weight  0.11000E+01 volume  0.12795E-02 ppm1      8.483 ppm2      4.216 CV     1
 ASSI {  240}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.500     1.500     1.500 peak   240 spectrum    2 weight  0.11000E+01 volume  0.47261E-03 ppm1      8.195 ppm2      4.219 CV     1
 ASSI {  241}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak   241 spectrum    2 weight  0.11000E+01 volume  0.93309E-03 ppm1      8.286 ppm2      4.214 CV     1
 ASSI {  242}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.600     1.600     1.600 peak   242 spectrum    2 weight  0.11000E+01 volume  0.39292E-03 ppm1      8.434 ppm2      4.215 CV     1
 ASSI {  243}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.500     0.800     0.800 peak   243 spectrum    2 weight  0.11000E+01 volume  0.34021E-02 ppm1      8.485 ppm2      2.681 CV     1
 OR {  243}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {  244}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.700     0.900     0.900 peak   244 spectrum    2 weight  0.11000E+01 volume  0.19930E-02 ppm1      8.196 ppm2      2.683 CV     1
 OR {  244}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  245}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      4.500     2.500     1.500 peak   245 spectrum    2 weight  0.11000E+01 volume  0.11088E-03 ppm1      7.316 ppm2      2.694 CV     1
 OR {  245}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  246}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.900     1.900     1.900 peak   246 spectrum    2 weight  0.11000E+01 volume  0.24662E-03 ppm1      8.287 ppm2      2.674 CV     1
 OR {  246}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  247}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.100     1.100 peak   247 spectrum    2 weight  0.11000E+01 volume  0.13229E-02 ppm1      8.194 ppm2      8.475 CV     1
 ASSI {  248}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.600     0.800     0.800 peak   248 spectrum    2 weight  0.11000E+01 volume  0.30332E-02 ppm1      8.197 ppm2      3.988 CV     1
 ASSI {  249}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.700     1.700     1.700 peak   249 spectrum    2 weight  0.11000E+01 volume  0.33707E-03 ppm1      8.485 ppm2      2.094 CV     1
 OR {  249}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  250}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.300     0.700     0.700 peak   250 spectrum    2 weight  0.11000E+01 volume  0.55968E-02 ppm1      8.196 ppm2      2.083 CV     1
 OR {  250}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  251}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak   251 spectrum    2 weight  0.11000E+01 volume  0.23272E-02 ppm1      7.315 ppm2      2.078 CV     1
 OR {  251}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  252}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      4.100     2.100     1.900 peak   252 spectrum    2 weight  0.11000E+01 volume  0.19147E-03 ppm1      8.285 ppm2      2.080 CV     1
 OR {  252}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  254}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak   254 spectrum    2 weight  0.11000E+01 volume  0.27973E-02 ppm1      7.315 ppm2      3.976 CV     1
 ASSI {  255}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.500     2.500     3.500 peak   255 spectrum    2 weight  0.11000E+01 volume  0.34760E-02 ppm1      7.799 ppm2      3.980 CV     1
 ASSI {  256}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.500     2.500     3.500 peak   256 spectrum    2 weight  0.11000E+01 volume  0.33505E-02 ppm1      8.248 ppm2      3.984 CV     1
 ASSI {  257}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      4.600     2.700     1.400 peak   257 spectrum    2 weight  0.11000E+01 volume  0.85672E-04 ppm1      7.185 ppm2      1.521 CV     1
 ASSI {  258}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.200     3.200     2.800 peak   258 spectrum    2 weight  0.11000E+01 volume  0.73508E-03 ppm1      8.196 ppm2      1.526 CV     1
 ASSI {  259}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.500     0.800     0.800 peak   259 spectrum    2 weight  0.11000E+01 volume  0.35971E-02 ppm1      7.315 ppm2      1.519 CV     1
 ASSI {  260}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.000     1.200     1.200 peak   260 spectrum    2 weight  0.11000E+01 volume  0.10956E-02 ppm1      8.287 ppm2      1.530 CV     1
 ASSI {  261}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.000     3.000     3.000 peak   261 spectrum    2 weight  0.11000E+01 volume  0.10897E-02 ppm1      8.199 ppm2      1.776 CV     1
 ASSI {  262}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.500     0.800     0.800 peak   262 spectrum    2 weight  0.11000E+01 volume  0.34063E-02 ppm1      7.315 ppm2      1.781 CV     1
 ASSI {  263}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.800     1.000     1.000 peak   263 spectrum    2 weight  0.11000E+01 volume  0.16826E-02 ppm1      8.286 ppm2      1.790 CV     1
 ASSI {  264}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      3.600     1.600     1.600 peak   264 spectrum    2 weight  0.11000E+01 volume  0.40983E-03 ppm1      8.481 ppm2      0.887 CV     1
 ASSI {  265}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      3.200     3.200     2.800 peak   265 spectrum    2 weight  0.11000E+01 volume  0.74472E-03 ppm1      8.197 ppm2      0.893 CV     1
 OR {  265}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  266}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      2.800     1.000     1.000 peak   266 spectrum    2 weight  0.11000E+01 volume  0.18547E-02 ppm1      7.315 ppm2      0.891 CV     1
 OR {  266}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  267}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      2.800     1.000     1.000 peak   267 spectrum    2 weight  0.11000E+01 volume  0.17664E-02 ppm1      8.285 ppm2      0.890 CV     1
 ASSI {  268}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
      3.000     1.200     1.200 peak   268 spectrum    2 weight  0.11000E+01 volume  0.10772E-02 ppm1      7.800 ppm2      0.916 CV     1
 OR {  268}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI {  269}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak   269 spectrum    2 weight  0.11000E+01 volume  0.35267E-02 ppm1      8.196 ppm2      7.312 CV     1
 ASSI {  270}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.700     0.900     0.900 peak   270 spectrum    2 weight  0.11000E+01 volume  0.23203E-02 ppm1      8.286 ppm2      7.311 CV     1
 ASSI {  271}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak   271 spectrum    2 weight  0.11000E+01 volume  0.23857E-02 ppm1      8.285 ppm2      3.788 CV     1
 ASSI {  272}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.200     1.300     1.300 peak   272 spectrum    2 weight  0.11000E+01 volume  0.83514E-03 ppm1      8.245 ppm2      3.778 CV     1
 ASSI {  273}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      4.400     2.400     1.600 peak   273 spectrum    2 weight  0.11000E+01 volume  0.11941E-03 ppm1      7.312 ppm2      3.485 CV     1
 ASSI {  274}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.900     1.100     1.100 peak   274 spectrum    2 weight  0.11000E+01 volume  0.13318E-02 ppm1      8.287 ppm2      3.485 CV     1
 ASSI {  275}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.100     1.200     1.200 peak   275 spectrum    2 weight  0.11000E+01 volume  0.96968E-03 ppm1      8.438 ppm2      3.493 CV     1
 ASSI {  276}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      4.200     2.200     1.800 peak   276 spectrum    2 weight  0.11000E+01 volume  0.15030E-03 ppm1      7.800 ppm2      3.497 CV     1
 ASSI {  277}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.700     2.700     3.300 peak   277 spectrum    2 weight  0.11000E+01 volume  0.23565E-02 ppm1      8.285 ppm2      3.935 CV     1
 ASSI {  278}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.800     0.800 peak   278 spectrum    2 weight  0.11000E+01 volume  0.29979E-02 ppm1      8.432 ppm2      3.919 CV     1
 ASSI {  279}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.000     1.200     1.200 peak   279 spectrum    2 weight  0.11000E+01 volume  0.10967E-02 ppm1      8.405 ppm2      3.931 CV     1
 ASSI {  281}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.700     1.800     1.800 peak   281 spectrum    2 weight  0.11000E+01 volume  0.31274E-03 ppm1      8.097 ppm2      0.946 CV     1
 ASSI {  282}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.500     1.500     1.500 peak   282 spectrum    2 weight  0.11000E+01 volume  0.48628E-03 ppm1      8.403 ppm2      0.951 CV     1
 ASSI {  283}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.500     1.500     1.500 peak   283 spectrum    2 weight  0.11000E+01 volume  0.48919E-03 ppm1      8.150 ppm2      0.948 CV     1
 ASSI {  284}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     1.000     1.000 peak   284 spectrum    2 weight  0.11000E+01 volume  0.19234E-02 ppm1      7.800 ppm2      8.426 CV     1
 ASSI {  285}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.600     0.800     0.800 peak   285 spectrum    2 weight  0.11000E+01 volume  0.28933E-02 ppm1      7.799 ppm2      4.023 CV     1
 ASSI {  286}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.400     2.400     3.600 peak   286 spectrum    2 weight  0.11000E+01 volume  0.50783E-02 ppm1      7.799 ppm2      1.834 CV     1
 ASSI {  287}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.800     0.900     0.900 peak   287 spectrum    2 weight  0.11000E+01 volume  0.19886E-02 ppm1      8.244 ppm2      1.828 CV     1
 ASSI {  288}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.700     0.900     0.900 peak   288 spectrum    2 weight  0.11000E+01 volume  0.22052E-02 ppm1      7.800 ppm2      1.973 CV     1
 ASSI {  289}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      3.000     1.100     1.100 peak   289 spectrum    2 weight  0.11000E+01 volume  0.12342E-02 ppm1      8.243 ppm2      1.960 CV     1
 ASSI {  290}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HD2 ))
      3.600     1.600     1.600 peak   290 spectrum    2 weight  0.11000E+01 volume  0.38897E-03 ppm1      7.800 ppm2      3.199 CV     1
 OR {  290}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HD1 ))
 ASSI {  291}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HD2 ))
      4.100     2.100     1.900 peak   291 spectrum    2 weight  0.11000E+01 volume  0.17965E-03 ppm1      8.247 ppm2      3.206 CV     1
 OR {  291}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HD1 ))
 ASSI {  292}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG1 ))
      2.600     0.900     0.900 peak   292 spectrum    2 weight  0.11000E+01 volume  0.27360E-02 ppm1      7.800 ppm2      1.590 CV     1
 ASSI {  294}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.600     0.800     0.800 peak   294 spectrum    2 weight  0.11000E+01 volume  0.28774E-02 ppm1      8.246 ppm2      7.800 CV     1
 ASSI {  295}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.600     0.800     0.800 peak   295 spectrum    2 weight  0.11000E+01 volume  0.30416E-02 ppm1      8.245 ppm2      4.010 CV     1
 ASSI {  296}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 87   and name HB% )
      3.000     1.100     1.100 peak   296 spectrum    2 weight  0.11000E+01 volume  0.11717E-02 ppm1      7.798 ppm2      1.438 CV     1
 ASSI {  297}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 87   and name HB% )
      2.300     0.600     0.600 peak   297 spectrum    2 weight  0.11000E+01 volume  0.63207E-02 ppm1      8.247 ppm2      1.416 CV     1
 ASSI {  300}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.300     1.300     1.300 peak   300 spectrum    2 weight  0.11000E+01 volume  0.69751E-03 ppm1      8.152 ppm2      3.530 CV     1
 ASSI {  301}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.900     1.900     1.900 peak   301 spectrum    2 weight  0.11000E+01 volume  0.23376E-03 ppm1      7.682 ppm2      3.532 CV     1
 ASSI {  302}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.300     1.300     1.300 peak   302 spectrum    2 weight  0.11000E+01 volume  0.72825E-03 ppm1      7.558 ppm2      3.527 CV     1
 ASSI {  303}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.400     0.700     0.700 peak   303 spectrum    2 weight  0.11000E+01 volume  0.41691E-02 ppm1      8.403 ppm2      1.525 CV     1
 ASSI {  304}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      3.500     3.500     2.500 peak   304 spectrum    2 weight  0.11000E+01 volume  0.45371E-03 ppm1      8.412 ppm2      1.519 CV     1
 ASSI {  305}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.400     1.400     1.400 peak   305 spectrum    2 weight  0.11000E+01 volume  0.56285E-03 ppm1      8.323 ppm2      0.345 CV     1
 ASSI {  306}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      4.400     2.400     1.600 peak   306 spectrum    2 weight  0.11000E+01 volume  0.12055E-03 ppm1      7.615 ppm2      0.339 CV     1
 OR {  306}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  307}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      4.100     2.100     1.900 peak   307 spectrum    2 weight  0.11000E+01 volume  0.18518E-03 ppm1      7.799 ppm2      0.324 CV     1
 ASSI {  308}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.600     1.600     1.600 peak   308 spectrum    2 weight  0.11000E+01 volume  0.38314E-03 ppm1      8.249 ppm2      0.324 CV     1
 ASSI {  309}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.000     1.100     1.100 peak   309 spectrum    2 weight  0.11000E+01 volume  0.12713E-02 ppm1      8.152 ppm2      0.310 CV     1
 OR {  309}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  310}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.900     1.900     1.900 peak   310 spectrum    2 weight  0.11000E+01 volume  0.23587E-03 ppm1      7.682 ppm2      0.317 CV     1
 OR {  310}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  311}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.700     1.700     1.700 peak   311 spectrum    2 weight  0.11000E+01 volume  0.35177E-03 ppm1      7.557 ppm2      0.320 CV     1
 OR {  311}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  312}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.000     1.100     1.100 peak   312 spectrum    2 weight  0.11000E+01 volume  0.12555E-02 ppm1      8.412 ppm2      0.319 CV     1
 ASSI {  313}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.400     1.400     1.400 peak   313 spectrum    2 weight  0.11000E+01 volume  0.58232E-03 ppm1      6.748 ppm2      0.321 CV     1
 ASSI {  314}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.600     1.600     1.600 peak   314 spectrum    2 weight  0.11000E+01 volume  0.42048E-03 ppm1      8.526 ppm2      0.326 CV     1
 ASSI {  315}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      4.000     2.000     2.000 peak   315 spectrum    2 weight  0.11000E+01 volume  0.22600E-03 ppm1      7.997 ppm2      0.322 CV     1
 OR {  315}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  316}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.400     1.400     1.400 peak   316 spectrum    2 weight  0.11000E+01 volume  0.56858E-03 ppm1      8.489 ppm2      0.334 CV     1
 OR {  316}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  317}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      4.100     2.100     1.900 peak   317 spectrum    2 weight  0.11000E+01 volume  0.19430E-03 ppm1      8.353 ppm2      0.342 CV     1
 OR {  317}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  318}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      4.100     2.200     1.900 peak   318 spectrum    2 weight  0.11000E+01 volume  0.16870E-03 ppm1      8.095 ppm2      0.661 CV     1
 ASSI {  319}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.700     3.700     2.300 peak   319 spectrum    2 weight  0.11000E+01 volume  0.32482E-03 ppm1      7.799 ppm2      0.660 CV     1
 ASSI {  321}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.400     1.400     1.400 peak   321 spectrum    2 weight  0.11000E+01 volume  0.55347E-03 ppm1      8.152 ppm2      0.660 CV     1
 ASSI {  322}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      4.100     2.100     1.900 peak   322 spectrum    2 weight  0.11000E+01 volume  0.19174E-03 ppm1      8.413 ppm2      0.661 CV     1
 ASSI {  323}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      3.100     1.200     1.200 peak   323 spectrum    2 weight  0.11000E+01 volume  0.95165E-03 ppm1      8.246 ppm2      8.407 CV     1
 ASSI {  324}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak   324 spectrum    2 weight  0.11000E+01 volume  0.20445E-02 ppm1      8.152 ppm2      8.395 CV     1
 ASSI {  325}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      3.600     1.600     1.600 peak   325 spectrum    2 weight  0.11000E+01 volume  0.41403E-03 ppm1      7.680 ppm2      8.400 CV     1
 ASSI {  326}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.700     0.900     0.900 peak   326 spectrum    2 weight  0.11000E+01 volume  0.24767E-02 ppm1      8.152 ppm2      3.909 CV     1
 ASSI {  327}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      2.600     0.900     0.900 peak   327 spectrum    2 weight  0.11000E+01 volume  0.26707E-02 ppm1      8.157 ppm2      2.065 CV     1
 ASSI {  328}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      2.800     1.000     1.000 peak   328 spectrum    2 weight  0.11000E+01 volume  0.17080E-02 ppm1      7.682 ppm2      2.061 CV     1
 ASSI {  329}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.600     0.800     0.800 peak   329 spectrum    2 weight  0.11000E+01 volume  0.29964E-02 ppm1      8.153 ppm2      2.302 CV     1
 ASSI {  330}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      3.000     1.100     1.100 peak   330 spectrum    2 weight  0.11000E+01 volume  0.12649E-02 ppm1      7.681 ppm2      2.286 CV     1
 ASSI {  331}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
      2.700     0.900     0.900 peak   331 spectrum    2 weight  0.11000E+01 volume  0.22320E-02 ppm1      8.151 ppm2      2.463 CV     1
 ASSI {  332}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
      3.400     1.400     1.400 peak   332 spectrum    2 weight  0.11000E+01 volume  0.60699E-03 ppm1      7.681 ppm2      2.483 CV     1
 OR {  332}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HG1 ))
 ASSI {  333}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.700     0.900     0.900 peak   333 spectrum    2 weight  0.11000E+01 volume  0.20168E-02 ppm1      7.682 ppm2      8.151 CV     1
 ASSI {  334}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.800     1.800     1.800 peak   334 spectrum    2 weight  0.11000E+01 volume  0.26735E-03 ppm1      7.559 ppm2      8.155 CV     1
 ASSI {  335}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.700     0.900     0.900 peak   335 spectrum    2 weight  0.11000E+01 volume  0.21132E-02 ppm1      7.682 ppm2      4.184 CV     1
 ASSI {  336}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.200     1.300     1.300 peak   336 spectrum    2 weight  0.11000E+01 volume  0.78766E-03 ppm1      7.557 ppm2      4.180 CV     1
 ASSI {  337}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.800     1.800     1.800 peak   337 spectrum    2 weight  0.11000E+01 volume  0.27168E-03 ppm1      7.494 ppm2      4.193 CV     1
 ASSI {  338}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HB% )
      2.300     0.700     0.700 peak   338 spectrum    2 weight  0.11000E+01 volume  0.61051E-02 ppm1      7.681 ppm2      1.483 CV     1
 ASSI {  339}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HB% )
      2.700     0.900     0.900 peak   339 spectrum    2 weight  0.11000E+01 volume  0.21098E-02 ppm1      7.558 ppm2      1.479 CV     1
 ASSI {  340}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 90   and name HB% )
      3.400     1.500     1.500 peak   340 spectrum    2 weight  0.11000E+01 volume  0.53148E-03 ppm1      7.496 ppm2      1.472 CV     1
 ASSI {  342}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      4.200     2.200     1.800 peak   342 spectrum    2 weight  0.11000E+01 volume  0.16452E-03 ppm1      7.682 ppm2      4.516 CV     1
 ASSI {  343}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.800     1.000     1.000 peak   343 spectrum    2 weight  0.11000E+01 volume  0.19027E-02 ppm1      7.558 ppm2      4.517 CV     1
 ASSI {  344}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.000     1.000 peak   344 spectrum    2 weight  0.11000E+01 volume  0.15627E-02 ppm1      7.495 ppm2      4.510 CV     1
 ASSI {  345}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.300     1.400     1.400 peak   345 spectrum    2 weight  0.11000E+01 volume  0.65556E-03 ppm1      7.681 ppm2      1.002 CV     1
 OR {  345}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  346}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      2.500     0.800     0.800 peak   346 spectrum    2 weight  0.11000E+01 volume  0.37221E-02 ppm1      7.557 ppm2      0.996 CV     1
 OR {  346}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
 ASSI {  347}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      3.200     1.200     1.200 peak   347 spectrum    2 weight  0.11000E+01 volume  0.87274E-03 ppm1      7.495 ppm2      0.989 CV     1
 OR {  347}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
 ASSI {  348}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      3.700     1.700     1.700 peak   348 spectrum    2 weight  0.11000E+01 volume  0.31489E-03 ppm1      8.411 ppm2      0.989 CV     1
 ASSI {  349}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      3.400     1.400     1.400 peak   349 spectrum    2 weight  0.11000E+01 volume  0.57973E-03 ppm1      6.749 ppm2      0.990 CV     1
 ASSI {  350}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.400     1.500     1.500 peak   350 spectrum    2 weight  0.11000E+01 volume  0.53256E-03 ppm1      8.083 ppm2      0.981 CV     1
 OR {  350}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  351}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      2.900     1.000     1.000 peak   351 spectrum    2 weight  0.11000E+01 volume  0.15578E-02 ppm1      8.488 ppm2      1.000 CV     1
 OR {  351}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  352}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HA2 ))
      3.100     1.200     1.200 peak   352 spectrum    2 weight  0.11000E+01 volume  0.10187E-02 ppm1      7.558 ppm2      3.886 CV     1
 OR {  352}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HA1 ))
 ASSI {  353}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA2 ))
      2.200     0.600     0.600 peak   353 spectrum    2 weight  0.11000E+01 volume  0.73221E-02 ppm1      7.495 ppm2      3.873 CV     1
 OR {  353}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA1 ))
 ASSI {  354}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA2 ))
      2.800     1.000     1.000 peak   354 spectrum    2 weight  0.11000E+01 volume  0.18387E-02 ppm1      8.412 ppm2      3.882 CV     1
 OR {  354}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA1 ))
 ASSI {  355}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HA1 ))
      3.600     1.700     1.700 peak   355 spectrum    2 weight  0.11000E+01 volume  0.36468E-03 ppm1      6.748 ppm2      3.887 CV     1
 OR {  355}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HA2 ))
 ASSI {  356}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.800     0.900     0.900 peak   356 spectrum    2 weight  0.11000E+01 volume  0.19897E-02 ppm1      8.412 ppm2      7.500 CV     1
 ASSI {  357}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      3.700     1.700     1.700 peak   357 spectrum    2 weight  0.11000E+01 volume  0.34152E-03 ppm1      6.748 ppm2      7.503 CV     1
 ASSI {  358}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HA1 ))
      3.600     1.600     1.600 peak   358 spectrum    2 weight  0.11000E+01 volume  0.41039E-03 ppm1      7.495 ppm2      2.396 CV     1
 ASSI {  359}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA1 ))
      2.600     0.900     0.900 peak   359 spectrum    2 weight  0.11000E+01 volume  0.26242E-02 ppm1      8.412 ppm2      2.384 CV     1
 ASSI {  360}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HA1 ))
      3.000     1.100     1.100 peak   360 spectrum    2 weight  0.11000E+01 volume  0.11658E-02 ppm1      6.748 ppm2      2.375 CV     1
 ASSI {  361}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA2 ))
      2.700     0.900     0.900 peak   361 spectrum    2 weight  0.11000E+01 volume  0.23991E-02 ppm1      8.412 ppm2      3.607 CV     1
 ASSI {  362}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HA2 ))
      3.100     1.200     1.200 peak   362 spectrum    2 weight  0.11000E+01 volume  0.10158E-02 ppm1      6.748 ppm2      3.635 CV     1
 ASSI {  363}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.300     1.400     1.400 peak   363 spectrum    2 weight  0.11000E+01 volume  0.64598E-03 ppm1      7.559 ppm2      8.417 CV     1
 ASSI {  365}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   365 spectrum    2 weight  0.11000E+01 volume  0.18332E-02 ppm1      6.748 ppm2      8.420 CV     1
 ASSI {  366}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.500     1.500     1.500 peak   366 spectrum    2 weight  0.11000E+01 volume  0.46167E-03 ppm1      8.411 ppm2      4.537 CV     1
 ASSI {  367}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.600     0.800     0.800 peak   367 spectrum    2 weight  0.11000E+01 volume  0.30123E-02 ppm1      6.748 ppm2      4.553 CV     1
 ASSI {  368}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.300     0.600     0.600 peak   368 spectrum    2 weight  0.11000E+01 volume  0.66385E-02 ppm1      8.525 ppm2      4.539 CV     1
 ASSI {  369}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   369 spectrum    2 weight  0.11000E+01 volume  0.92055E-03 ppm1      7.995 ppm2      4.540 CV     1
 ASSI {  370}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.300     1.400     1.400 peak   370 spectrum    2 weight  0.11000E+01 volume  0.61284E-03 ppm1      8.081 ppm2      4.561 CV     1
 ASSI {  371}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.700     1.700     1.700 peak   371 spectrum    2 weight  0.11000E+01 volume  0.35821E-03 ppm1      8.487 ppm2      4.548 CV     1
 ASSI {  372}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      2.500     0.800     0.800 peak   372 spectrum    2 weight  0.11000E+01 volume  0.34929E-02 ppm1      6.748 ppm2      2.553 CV     1
 ASSI {  373}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      3.200     1.300     1.300 peak   373 spectrum    2 weight  0.11000E+01 volume  0.75933E-03 ppm1      8.526 ppm2      2.551 CV     1
 ASSI {  374}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      3.700     1.800     1.800 peak   374 spectrum    2 weight  0.11000E+01 volume  0.31144E-03 ppm1      8.082 ppm2      2.566 CV     1
 ASSI {  375}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      4.300     2.400     1.700 peak   375 spectrum    2 weight  0.11000E+01 volume  0.12755E-03 ppm1      8.487 ppm2      2.549 CV     1
 ASSI {  376}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.800     1.800     1.800 peak   376 spectrum    2 weight  0.11000E+01 volume  0.26598E-03 ppm1      8.411 ppm2      2.804 CV     1
 ASSI {  377}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.500     0.800     0.800 peak   377 spectrum    2 weight  0.11000E+01 volume  0.33948E-02 ppm1      6.748 ppm2      2.799 CV     1
 ASSI {  378}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.600     1.600     1.600 peak   378 spectrum    2 weight  0.11000E+01 volume  0.37620E-03 ppm1      8.525 ppm2      2.805 CV     1
 ASSI {  379}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.500     1.500     1.500 peak   379 spectrum    2 weight  0.11000E+01 volume  0.45880E-03 ppm1      8.081 ppm2      2.802 CV     1
 ASSI {  380}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.900     1.900     1.900 peak   380 spectrum    2 weight  0.11000E+01 volume  0.24913E-03 ppm1      8.484 ppm2      2.802 CV     1
 ASSI {  381}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.900     1.900     1.900 peak   381 spectrum    2 weight  0.11000E+01 volume  0.22740E-03 ppm1      7.557 ppm2      6.746 CV     1
 ASSI {  383}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.600     1.600     1.600 peak   383 spectrum    2 weight  0.11000E+01 volume  0.41890E-03 ppm1      8.525 ppm2      6.750 CV     1
 ASSI {  384}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.100     2.100     1.900 peak   384 spectrum    2 weight  0.11000E+01 volume  0.19344E-03 ppm1      7.997 ppm2      6.754 CV     1
 ASSI {  385}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.000     2.000     2.000 peak   385 spectrum    2 weight  0.11000E+01 volume  0.20838E-03 ppm1      8.082 ppm2      6.747 CV     1
 ASSI {  386}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.200     2.200     1.800 peak   386 spectrum    2 weight  0.11000E+01 volume  0.16176E-03 ppm1      8.489 ppm2      6.745 CV     1
 ASSI {  387}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.800     1.000     1.000 peak   387 spectrum    2 weight  0.11000E+01 volume  0.17344E-02 ppm1      8.525 ppm2      3.448 CV     1
 ASSI {  388}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak   388 spectrum    2 weight  0.11000E+01 volume  0.76387E-03 ppm1      7.997 ppm2      3.451 CV     1
 ASSI {  389}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.800     1.800     1.800 peak   389 spectrum    2 weight  0.11000E+01 volume  0.29073E-03 ppm1      8.085 ppm2      3.454 CV     1
 ASSI {  390}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.000     1.200     1.200 peak   390 spectrum    2 weight  0.11000E+01 volume  0.10713E-02 ppm1      8.487 ppm2      3.449 CV     1
 ASSI {  391}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.500     1.500     1.500 peak   391 spectrum    2 weight  0.11000E+01 volume  0.49058E-03 ppm1      8.339 ppm2      3.458 CV     1
 ASSI {  392}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      2.500     0.800     0.800 peak   392 spectrum    2 weight  0.11000E+01 volume  0.31519E-02 ppm1      8.525 ppm2      1.814 CV     1
 ASSI {  393}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      2.700     0.900     0.900 peak   393 spectrum    2 weight  0.11000E+01 volume  0.22147E-02 ppm1      7.996 ppm2      1.817 CV     1
 ASSI {  394}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      3.800     1.800     1.800 peak   394 spectrum    2 weight  0.11000E+01 volume  0.29171E-03 ppm1      8.080 ppm2      1.835 CV     1
 ASSI {  395}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      3.800     1.800     1.800 peak   395 spectrum    2 weight  0.11000E+01 volume  0.30471E-03 ppm1      8.489 ppm2      1.837 CV     1
 ASSI {  396}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 95   and name HD1%)
      2.800     1.000     1.000 peak   396 spectrum    2 weight  0.11000E+01 volume  0.18261E-02 ppm1      8.525 ppm2      0.835 CV     1
 ASSI {  397}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 95   and name HD1%)
      2.800     2.800     3.200 peak   397 spectrum    2 weight  0.11000E+01 volume  0.19447E-02 ppm1      7.999 ppm2      0.826 CV     1
 ASSI {  398}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 95   and name HD1%)
      3.300     3.300     2.700 peak   398 spectrum    2 weight  0.11000E+01 volume  0.64818E-03 ppm1      8.087 ppm2      0.831 CV     1
 ASSI {  399}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 95   and name HG11))
      4.200     2.200     1.800 peak   399 spectrum    2 weight  0.11000E+01 volume  0.15042E-03 ppm1      7.619 ppm2      1.219 CV     1
 ASSI {  400}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HG11))
      3.600     1.600     1.600 peak   400 spectrum    2 weight  0.11000E+01 volume  0.41667E-03 ppm1      6.749 ppm2      1.197 CV     1
 ASSI {  401}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HG11))
      2.900     1.000     1.000 peak   401 spectrum    2 weight  0.11000E+01 volume  0.15719E-02 ppm1      8.525 ppm2      1.184 CV     1
 ASSI {  402}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HG11))
      3.300     1.400     1.400 peak   402 spectrum    2 weight  0.11000E+01 volume  0.65416E-03 ppm1      7.994 ppm2      1.183 CV     1
 ASSI {  403}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HG12))
      2.800     1.000     1.000 peak   403 spectrum    2 weight  0.11000E+01 volume  0.16142E-02 ppm1      8.525 ppm2      1.568 CV     1
 ASSI {  404}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HG12))
      3.300     1.400     1.400 peak   404 spectrum    2 weight  0.11000E+01 volume  0.65990E-03 ppm1      7.998 ppm2      1.579 CV     1
 ASSI {  405}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      2.600     0.900     0.900 peak   405 spectrum    2 weight  0.11000E+01 volume  0.25171E-02 ppm1      7.996 ppm2      8.516 CV     1
 ASSI {  406}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.800     1.900     1.900 peak   406 spectrum    2 weight  0.11000E+01 volume  0.26508E-03 ppm1      8.526 ppm2      3.923 CV     1
 ASSI {  407}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.600     0.800     0.800 peak   407 spectrum    2 weight  0.11000E+01 volume  0.30373E-02 ppm1      7.996 ppm2      3.929 CV     1
 ASSI {  408}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.100     1.200     1.200 peak   408 spectrum    2 weight  0.11000E+01 volume  0.10144E-02 ppm1      8.081 ppm2      3.923 CV     1
 ASSI {  409}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.200     1.300     1.300 peak   409 spectrum    2 weight  0.11000E+01 volume  0.85514E-03 ppm1      8.337 ppm2      3.907 CV     1
 ASSI {  410}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.500     1.500     1.500 peak   410 spectrum    2 weight  0.11000E+01 volume  0.47126E-03 ppm1      8.526 ppm2      2.132 CV     1
 ASSI {  411}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      2.300     0.600     0.600 peak   411 spectrum    2 weight  0.11000E+01 volume  0.66328E-02 ppm1      7.994 ppm2      2.139 CV     1
 ASSI {  412}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      2.600     0.900     0.900 peak   412 spectrum    2 weight  0.11000E+01 volume  0.26733E-02 ppm1      8.081 ppm2      2.144 CV     1
 ASSI {  413}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG1 ))
      3.600     1.600     1.600 peak   413 spectrum    2 weight  0.11000E+01 volume  0.41082E-03 ppm1      8.525 ppm2      2.416 CV     1
 OR {  413}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  414}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG1 ))
      2.800     1.000     1.000 peak   414 spectrum    2 weight  0.11000E+01 volume  0.18851E-02 ppm1      7.998 ppm2      2.411 CV     1
 OR {  414}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  416}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.700     0.900     0.900 peak   416 spectrum    2 weight  0.11000E+01 volume  0.23536E-02 ppm1      8.083 ppm2      4.130 CV     1
 ASSI {  417}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.100     1.200     1.200 peak   417 spectrum    2 weight  0.11000E+01 volume  0.98434E-03 ppm1      8.488 ppm2      4.134 CV     1
 ASSI {  418}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.300     1.300     1.300 peak   418 spectrum    2 weight  0.11000E+01 volume  0.69677E-03 ppm1      7.419 ppm2      4.144 CV     1
 ASSI {  419}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 97   and name HB% )
      3.000     1.100     1.100 peak   419 spectrum    2 weight  0.11000E+01 volume  0.12089E-02 ppm1      6.748 ppm2      1.381 CV     1
 ASSI {  420}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 97   and name HB% )
      3.200     1.300     1.300 peak   420 spectrum    2 weight  0.11000E+01 volume  0.80466E-03 ppm1      7.998 ppm2      1.381 CV     1
 ASSI {  421}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 97   and name HB% )
      2.400     0.700     0.700 peak   421 spectrum    2 weight  0.11000E+01 volume  0.49874E-02 ppm1      8.081 ppm2      1.379 CV     1
 ASSI {  422}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 97   and name HB% )
      2.600     0.900     0.900 peak   422 spectrum    2 weight  0.11000E+01 volume  0.26448E-02 ppm1      8.489 ppm2      1.384 CV     1
 ASSI {  423}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.400     0.700     0.700 peak   423 spectrum    2 weight  0.11000E+01 volume  0.43162E-02 ppm1      7.999 ppm2      8.070 CV     1
 ASSI {  424}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.600     0.900     0.900 peak   424 spectrum    2 weight  0.11000E+01 volume  0.25066E-02 ppm1      8.488 ppm2      8.074 CV     1
 ASSI {  425}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   425 spectrum    2 weight  0.11000E+01 volume  0.21049E-02 ppm1      8.488 ppm2      3.763 CV     1
 ASSI {  426}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.100     1.200     1.200 peak   426 spectrum    2 weight  0.11000E+01 volume  0.10015E-02 ppm1      7.433 ppm2      3.777 CV     1
 ASSI {  427}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.200     1.200     1.200 peak   427 spectrum    2 weight  0.11000E+01 volume  0.88050E-03 ppm1      8.245 ppm2      1.220 CV     1
 ASSI {  428}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.100     1.200     1.200 peak   428 spectrum    2 weight  0.11000E+01 volume  0.89669E-03 ppm1      8.403 ppm2      1.225 CV     1
 ASSI {  430}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.800     1.800     1.800 peak   430 spectrum    2 weight  0.11000E+01 volume  0.28966E-03 ppm1      7.556 ppm2      1.206 CV     1
 ASSI {  431}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.000     1.200     1.200 peak   431 spectrum    2 weight  0.11000E+01 volume  0.10798E-02 ppm1      8.081 ppm2      1.217 CV     1
 ASSI {  432}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      2.400     0.700     0.700 peak   432 spectrum    2 weight  0.11000E+01 volume  0.48828E-02 ppm1      8.493 ppm2      1.215 CV     1
 ASSI {  433}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.500     1.500     1.500 peak   433 spectrum    2 weight  0.11000E+01 volume  0.47661E-03 ppm1      7.419 ppm2      1.222 CV     1
 ASSI {  435}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak   435 spectrum    2 weight  0.11000E+01 volume  0.20355E-02 ppm1      8.345 ppm2      8.500 CV     1
 ASSI {  436}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   436 spectrum    2 weight  0.11000E+01 volume  0.19310E-02 ppm1      8.340 ppm2      3.732 CV     1
 ASSI {  437}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.300     1.400     1.400 peak   437 spectrum    2 weight  0.11000E+01 volume  0.63966E-03 ppm1      7.417 ppm2      3.715 CV     1
 ASSI {  438}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.100     1.200     1.200 peak   438 spectrum    2 weight  0.11000E+01 volume  0.10019E-02 ppm1      8.272 ppm2      3.722 CV     1
 ASSI {  439}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.400     1.500     1.500 peak   439 spectrum    2 weight  0.11000E+01 volume  0.52109E-03 ppm1      8.368 ppm2      3.720 CV     1
 ASSI {  440}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      3.000     1.100     1.100 peak   440 spectrum    2 weight  0.11000E+01 volume  0.12648E-02 ppm1      7.415 ppm2      1.431 CV     1
 ASSI {  441}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.500     0.800     0.800 peak   441 spectrum    2 weight  0.11000E+01 volume  0.37403E-02 ppm1      8.343 ppm2      1.845 CV     1
 ASSI {  442}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.800     1.000     1.000 peak   442 spectrum    2 weight  0.11000E+01 volume  0.16651E-02 ppm1      7.417 ppm2      1.860 CV     1
 ASSI {  444}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 99   and name HD2%)
      3.000     1.100     1.100 peak   444 spectrum    2 weight  0.11000E+01 volume  0.11331E-02 ppm1      8.489 ppm2      0.804 CV     1
 OR {  444}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 99   and name HD1%)
 ASSI {  445}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 99   and name HD1%)
      3.200     1.300     1.300 peak   445 spectrum    2 weight  0.11000E+01 volume  0.84288E-03 ppm1      7.418 ppm2      0.809 CV     1
 OR {  445}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI {  446}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG  ))
      2.600     2.600     3.400 peak   446 spectrum    2 weight  0.11000E+01 volume  0.26075E-02 ppm1      8.344 ppm2      1.653 CV     1
 ASSI {  448}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.700     0.900     0.900 peak   448 spectrum    2 weight  0.11000E+01 volume  0.20203E-02 ppm1      7.415 ppm2      4.002 CV     1
 ASSI {  449}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.200     1.300     1.300 peak   449 spectrum    2 weight  0.11000E+01 volume  0.75844E-03 ppm1      8.370 ppm2      4.004 CV     1
 ASSI {  450}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.500     0.800     0.800 peak   450 spectrum    2 weight  0.11000E+01 volume  0.37075E-02 ppm1      7.415 ppm2      2.071 CV     1
 ASSI {  451}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.800     1.000     1.000 peak   451 spectrum    2 weight  0.11000E+01 volume  0.18081E-02 ppm1      7.434 ppm2      2.067 CV     1
 ASSI {  452}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      3.500     1.500     1.500 peak   452 spectrum    2 weight  0.11000E+01 volume  0.50644E-03 ppm1      8.488 ppm2      7.412 CV     1
 ASSI {  453}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak   453 spectrum    2 weight  0.11000E+01 volume  0.22630E-02 ppm1      8.346 ppm2      7.411 CV     1
 ASSI {  454}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.700     0.900     0.900 peak   454 spectrum    2 weight  0.11000E+01 volume  0.20488E-02 ppm1      7.433 ppm2      4.101 CV     1
 ASSI {  455}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.700     1.700     1.700 peak   455 spectrum    2 weight  0.11000E+01 volume  0.35986E-03 ppm1      8.281 ppm2      4.109 CV     1
 ASSI {  456}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.300     1.300     1.300 peak   456 spectrum    2 weight  0.11000E+01 volume  0.70020E-03 ppm1      7.675 ppm2      4.134 CV     1
 ASSI {  457}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.500     0.800     0.800 peak   457 spectrum    2 weight  0.11000E+01 volume  0.32976E-02 ppm1      7.433 ppm2      1.580 CV     1
 ASSI {  458}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.600     0.800     0.800 peak   458 spectrum    2 weight  0.11000E+01 volume  0.30136E-02 ppm1      7.432 ppm2      1.849 CV     1
 ASSI {  459}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      3.100     1.200     1.200 peak   459 spectrum    2 weight  0.11000E+01 volume  0.94679E-03 ppm1      8.275 ppm2      1.843 CV     1
 ASSI {  460}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
      3.100     1.200     1.200 peak   460 spectrum    2 weight  0.11000E+01 volume  0.93195E-03 ppm1      8.280 ppm2      0.838 CV     1
 OR {  460}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
 ASSI {  461}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
      3.900     1.900     1.900 peak   461 spectrum    2 weight  0.11000E+01 volume  0.25200E-03 ppm1      8.046 ppm2      0.859 CV     1
 OR {  461}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
 ASSI {  462}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
      3.600     1.600     1.600 peak   462 spectrum    2 weight  0.11000E+01 volume  0.39419E-03 ppm1      8.123 ppm2      0.849 CV     1
 OR {  462}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
 ASSI {  463}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
      3.500     1.600     1.600 peak   463 spectrum    2 weight  0.11000E+01 volume  0.44516E-03 ppm1      8.116 ppm2      0.834 CV     1
 OR {  463}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
 ASSI {  464}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
      3.000     1.200     1.200 peak   464 spectrum    2 weight  0.11000E+01 volume  0.10795E-02 ppm1      7.432 ppm2      0.852 CV     1
 ASSI {  465}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
      3.100     1.200     1.200 peak   465 spectrum    2 weight  0.11000E+01 volume  0.91684E-03 ppm1      7.435 ppm2      0.813 CV     1
 ASSI {  466}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
      3.500     3.500     2.500 peak   466 spectrum    2 weight  0.11000E+01 volume  0.43525E-03 ppm1      7.675 ppm2      0.804 CV     1
 ASSI {  467}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      2.800     1.000     1.000 peak   467 spectrum    2 weight  0.11000E+01 volume  0.18728E-02 ppm1      8.273 ppm2      7.437 CV     1
 ASSI {  468}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      4.000     4.000     2.000 peak   468 spectrum    2 weight  0.11000E+01 volume  0.20640E-03 ppm1      7.416 ppm2      3.430 CV     1
 ASSI {  469}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      4.000     2.000     2.000 peak   469 spectrum    2 weight  0.11000E+01 volume  0.22059E-03 ppm1      7.434 ppm2      3.444 CV     1
 ASSI {  470}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.000     1.100     1.100 peak   470 spectrum    2 weight  0.11000E+01 volume  0.11912E-02 ppm1      8.272 ppm2      3.435 CV     1
 ASSI {  471}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.700     1.700     1.700 peak   471 spectrum    2 weight  0.11000E+01 volume  0.32596E-03 ppm1      7.672 ppm2      3.452 CV     1
 ASSI {  472}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.800     1.800     1.800 peak   472 spectrum    2 weight  0.11000E+01 volume  0.30121E-03 ppm1      8.045 ppm2      3.452 CV     1
 ASSI {  473}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB  ))
      2.300     0.700     0.700 peak   473 spectrum    2 weight  0.11000E+01 volume  0.53914E-02 ppm1      8.273 ppm2      1.584 CV     1
 ASSI {  474}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB  ))
      2.500     0.800     0.800 peak   474 spectrum    2 weight  0.11000E+01 volume  0.34175E-02 ppm1      8.374 ppm2      1.568 CV     1
 ASSI {  475}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 102  and name HD1%)
      2.900     1.100     1.100 peak   475 spectrum    2 weight  0.11000E+01 volume  0.14468E-02 ppm1      8.275 ppm2      0.495 CV     1
 ASSI {  476}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 102  and name HD1%)
      3.000     1.100     1.100 peak   476 spectrum    2 weight  0.11000E+01 volume  0.12861E-02 ppm1      8.368 ppm2      0.493 CV     1
 ASSI {  477}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HG11))
      2.600     0.800     0.800 peak   477 spectrum    2 weight  0.11000E+01 volume  0.30316E-02 ppm1      8.274 ppm2      0.654 CV     1
 ASSI {  478}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HG11))
      3.000     1.100     1.100 peak   478 spectrum    2 weight  0.11000E+01 volume  0.12294E-02 ppm1      8.369 ppm2      0.659 CV     1
 ASSI {  480}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    2 weight  0.11000E+01 volume  0.18441E-02 ppm1      8.366 ppm2      4.601 CV     1
 ASSI {  481}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.100     1.200     1.200 peak   481 spectrum    2 weight  0.11000E+01 volume  0.93769E-03 ppm1      7.676 ppm2      4.598 CV     1
 ASSI {  482}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.900     1.900     1.900 peak   482 spectrum    2 weight  0.11000E+01 volume  0.23200E-03 ppm1      8.045 ppm2      4.595 CV     1
 ASSI {  483}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      2.500     0.800     0.800 peak   483 spectrum    2 weight  0.11000E+01 volume  0.34858E-02 ppm1      8.366 ppm2      2.990 CV     1
 ASSI {  484}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      3.100     1.200     1.200 peak   484 spectrum    2 weight  0.11000E+01 volume  0.10634E-02 ppm1      7.675 ppm2      2.987 CV     1
 ASSI {  485}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      2.700     0.900     0.900 peak   485 spectrum    2 weight  0.11000E+01 volume  0.20573E-02 ppm1      8.368 ppm2      3.277 CV     1
 ASSI {  486}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.200     1.300     1.300 peak   486 spectrum    2 weight  0.11000E+01 volume  0.75245E-03 ppm1      7.675 ppm2      3.286 CV     1
 ASSI {  487}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak   487 spectrum    2 weight  0.11000E+01 volume  0.21642E-02 ppm1      7.675 ppm2      8.363 CV     1
 ASSI {  488}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.600     0.800     0.800 peak   488 spectrum    2 weight  0.11000E+01 volume  0.27469E-02 ppm1      7.675 ppm2      4.365 CV     1
 ASSI {  489}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   489 spectrum    2 weight  0.11000E+01 volume  0.16780E-02 ppm1      8.037 ppm2      4.380 CV     1
 ASSI {  490}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      2.200     0.600     0.600 peak   490 spectrum    2 weight  0.11000E+01 volume  0.67577E-02 ppm1      7.676 ppm2      1.519 CV     1
 ASSI {  491}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      3.000     1.100     1.100 peak   491 spectrum    2 weight  0.11000E+01 volume  0.12722E-02 ppm1      8.045 ppm2      1.520 CV     1
 ASSI {  492}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      3.200     1.300     1.300 peak   492 spectrum    2 weight  0.11000E+01 volume  0.83132E-03 ppm1      8.124 ppm2      1.523 CV     1
 ASSI {  493}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      3.800     1.800     1.800 peak   493 spectrum    2 weight  0.11000E+01 volume  0.29441E-03 ppm1      8.275 ppm2      7.675 CV     1
 ASSI {  495}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak   495 spectrum    2 weight  0.11000E+01 volume  0.19521E-02 ppm1      8.044 ppm2      7.682 CV     1
 ASSI {  496}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA1 ))
      2.600     0.800     0.800 peak   496 spectrum    2 weight  0.11000E+01 volume  0.29436E-02 ppm1      8.041 ppm2      3.952 CV     1
 ASSI {  497}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HA2 ))
      3.100     1.200     1.200 peak   497 spectrum    2 weight  0.11000E+01 volume  0.97966E-03 ppm1      7.676 ppm2      4.075 CV     1
 ASSI {  498}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA2 ))
      2.700     0.900     0.900 peak   498 spectrum    2 weight  0.11000E+01 volume  0.24490E-02 ppm1      8.040 ppm2      4.053 CV     1
 ASSI {  500}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA1 ))
      2.400     0.700     0.700 peak   500 spectrum    2 weight  0.11000E+01 volume  0.48967E-02 ppm1      8.123 ppm2      3.923 CV     1
 ASSI {  501}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA1 ))
      2.600     0.800     0.800 peak   501 spectrum    2 weight  0.11000E+01 volume  0.29248E-02 ppm1      8.118 ppm2      3.905 CV     1
 ASSI {  502}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.100     1.200     1.200 peak   502 spectrum    2 weight  0.11000E+01 volume  0.10192E-02 ppm1      8.118 ppm2      4.525 CV     1
 ASSI {  503}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 107  and name HB% )
      2.700     0.900     0.900 peak   503 spectrum    2 weight  0.11000E+01 volume  0.21180E-02 ppm1      8.121 ppm2      1.272 CV     1
csi.out0100664000076400007640000001161710111412461011317 0ustar  changchang#
#
############################################################################
#  Program...:                        CSI (c)
#  Version...:                         2.0
#  Location..:                 University of Alberta
#                          Protein Engineering Network of
#                              Centres of Excellence
#  Input.....:                 /home/chang/nmrdata/hgb1uba/X-Misc/CSI/csi.hgb1uba
#  Date......:                 Tue Jul  6 19:39:37 2004
#############################################################################
#
#
#     A       HA       CA       CO       CB       Consensus
#
63    G       0 C      0 C     -1 B      1 B         0 C 
64    S       0 C      0 C     -1 B      1 B         0 C 
65    Q       0 C      0 C     -1 B      0 C         0 C 
66    W       0 C      0 C     -1 B      0 C         0 C 
67    Q      -1 H      1 H     -1 B      0 C        -1 H 
68    P      -1 H      1 H      0 C      0 C        -1 H 
69    Q      -1 H      1 H      0 C      0 C        -1 H 
70    L      -1 H      1 H      0 C      0 C        -1 H 
71    Q      -1 H      1 H      0 C      0 C        -1 H 
72    Q      -1 H      1 H      0 C      0 C        -1 H 
73    L       0 C      1 H      0 C      0 C         0 C 
74    R       0 C      1 H      0 C      0 C         0 C 
75    D       0 C      1 H     -1 B      0 C         0 C 
76    M       0 C      0 C     -1 B      0 C         0 C 
77    G       0 C      0 C     -1 B      0 C         0 C 
78    I       0 C      0 C     -1 B      0 C         0 C 
79    Q       0 C      0 C     -1 B      0 C         0 C 
80    D       0 C      0 C     -1 B      0 C         0 C 
81    D      -1 H      1 H     -1 B      0 C        -1 H 
82    E      -1 H      1 H      1 H      0 C        -1 H 
83    L      -1 H      1 H      1 H      0 C        -1 H 
84    S      -1 H      1 H      1 H      0 C        -1 H 
85    L      -1 H      1 H      1 H      0 C        -1 H 
86    R      -1 H      1 H      1 H      0 C        -1 H 
87    A      -1 H      1 H      1 H      0 C        -1 H 
88    L      -1 H      1 H      1 H      0 C        -1 H 
89    Q      -1 H      1 H      1 H      0 C        -1 H 
90    A      -1 H      1 H      1 H      0 C        -1 H 
91    T       0 C      0 C      0 C      0 C         0 C 
92    G       0 C      0 C      0 C      0 C         0 C 
93    G      -1 H      0 C     -1 B      0 C         0 C 
94    D      -1 H      0 C     -1 B      0 C         0 C 
95    I      -1 H      1 H     -1 B      0 C        -1 H 
96    Q      -1 H      1 H      1 H      0 C        -1 H 
97    A      -1 H      1 H      1 H      0 C        -1 H 
98    A      -1 H      1 H      1 H      0 C        -1 H 
99    L      -1 H      1 H      1 H      0 C        -1 H 
100   E      -1 H      1 H      1 H      0 C        -1 H 
101   L      -1 H      1 H      1 H      0 C        -1 H 
102   I       0 C      1 H      1 H      0 C        -1 H 
103   F       0 C      1 H      0 C      0 C         0 C 
104   A       0 C      0 C      0 C      0 C         0 C 
105   G       0 C      0 C      0 C      0 C         0 C 
106   G       0 C      0 C      0 C      0 C         0 C 
107   A       0 C      0 C      0 C      0 C         0 C 
#
#
#
############################################################################
#
#                    Secondary Structure Summary
#
#
#
#
#       HA     |      CA      |      CO      |      CB      |  Consensus   |
#---------------------------------------------------------------------------
# C   7 -   7  | C   7 -   8  | C   7 -   7  | C   7 -  15  | C   0 -   0  | 
# B   8 -  15  | B   9 -  14  | B   8 -  15  | B  16 -  28  | B   0 -   0  | 
# C  16 -  17  | C  15 -  19  | C  16 -  16  | C  29 -  43  | C   0 -   0  | 
# B  18 -  27  | B  20 -  28  | B  17 -  28  | B  44 -  55  | B   0 -   0  | 
# C  28 -  28  | H  29 -  35  | C  29 -  33  | C  56 -  56  | H   0 -   0  | 
# H  29 -  35  | C  36 -  36  | H  34 -  37  | B  57 -  64  | C   0 -   0  | 
# C  36 -  36  | H  37 -  44  | C  38 -  41  | C  65 - 107  | H   0 -   0  | 
# H  37 -  43  | C  45 -  48  | B  42 -  53  |              | C   0 -   0  | 
# C  44 -  44  | B  49 -  52  | C  54 -  54  |              | B   0 -   0  | 
# B  45 -  51  | C  53 -  57  | B  55 -  67  |              | C   0 -   0  | 
# H  52 -  56  | B  58 -  61  | C  68 -  74  |              | B   0 -   0  | 
# B  57 -  62  | C  62 -  66  | B  75 -  81  |              | C   0 -   0  | 
# C  63 -  66  | H  67 -  75  | H  82 -  90  |              | H   0 -   0  | 
# H  67 -  72  | C  76 -  80  | C  91 -  92  |              | C   0 -   0  | 
# C  73 -  80  | H  81 -  90  | B  93 -  95  |              | H   0 -   0  | 
# H  81 -  90  | C  91 -  94  | H  96 - 102  |              | C   0 -   0  | 
# C  91 -  92  | H  95 - 103  | C 103 - 107  |              | H   0 -   0  | 
# H  93 - 101  | C 104 - 107  |              |              | C   0 -   0  | 
# C 102 - 107  |              |              |              |              | 
# 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY  63           HT1      GLY  63  -0.160  10.372  -5.481
    2   1HA   GLY  63          1HA       GLY  63  -2.674   8.824  -5.157
    3   2HA   GLY  63          2HA       GLY  63  -1.128   8.442  -4.408
    4    H    SER  64           HN       SER  64  -4.049  10.023  -4.032
    5    HA   SER  64           HA       SER  64  -2.977  11.817  -1.966
    6   1HB   SER  64          1HB       SER  64  -5.335  12.812  -2.077
    7   2HB   SER  64          2HB       SER  64  -4.305  13.060  -3.485
    8    HG   SER  64           HG       SER  64  -6.485  12.369  -3.974
    9    H    GLN  65           HN       GLN  65  -3.058  11.124   0.033
   10    HA   GLN  65           HA       GLN  65  -3.690  10.117   1.962
   11   1HB   GLN  65          1HB       GLN  65  -6.322   9.582   0.577
   12   2HB   GLN  65          2HB       GLN  65  -6.011   9.389   2.297
   13   1HG   GLN  65          1HG       GLN  65  -5.485  11.811   2.409
   14   2HG   GLN  65          2HG       GLN  65  -5.973  11.946   0.720
   15   1HE2  GLN  65          HE21      GLN  65  -8.143  11.819   0.185
   16   2HE2  GLN  65          HE22      GLN  65  -9.399  11.890   1.372
   17    H    TRP  66           HN       TRP  66  -3.563   8.593  -0.984
   18    HA   TRP  66           HA       TRP  66  -2.909   6.562  -1.700
   19   1HB   TRP  66          1HB       TRP  66  -2.112   6.176   1.188
   20   2HB   TRP  66          2HB       TRP  66  -1.623   5.137  -0.151
   21    HD1  TRP  66           HD1      TRP  66  -0.074   6.394  -2.091
   22    HE1  TRP  66           HE1      TRP  66   1.734   8.204  -1.801
   23    HE3  TRP  66           HE3      TRP  66  -1.387   8.118   2.537
   24    HZ2  TRP  66           HZ2      TRP  66   2.505  10.104   0.134
   25    HZ3  TRP  66           HZ3      TRP  66  -0.062   9.935   3.537
   26    HH2  TRP  66           HH2      TRP  66   1.844  10.905   2.359
   27    H    GLN  67           HN       GLN  67  -5.627   6.956  -0.195
   28    HA   GLN  67           HA       GLN  67  -6.216   4.343   0.773
   29   1HB   GLN  67          1HB       GLN  67  -7.864   6.795   0.328
   30   2HB   GLN  67          2HB       GLN  67  -8.622   5.258   0.739
   31   1HG   GLN  67          1HG       GLN  67  -7.403   5.112   2.779
   32   2HG   GLN  67          2HG       GLN  67  -6.416   6.509   2.347
   33   1HE2  GLN  67          HE21      GLN  67  -6.983   7.611   4.203
   34   2HE2  GLN  67          HE22      GLN  67  -8.546   8.323   4.423
   35    HA   PRO  68           HA       PRO  68  -8.389   3.865  -3.615
   36   1HB   PRO  68          1HB       PRO  68  -6.249   5.302  -5.102
   37   2HB   PRO  68          2HB       PRO  68  -7.976   5.184  -5.456
   38   1HG   PRO  68          1HG       PRO  68  -6.913   7.431  -4.475
   39   2HG   PRO  68          2HG       PRO  68  -8.529   6.883  -3.991
   40   1HD   PRO  68          1HD       PRO  68  -5.956   6.765  -2.491
   41   2HD   PRO  68          2HD       PRO  68  -7.605   7.025  -1.889
   42    H    GLN  69           HN       GLN  69  -5.004   4.339  -2.905
   43    HA   GLN  69           HA       GLN  69  -4.029   2.033  -4.308
   44   1HB   GLN  69          1HB       GLN  69  -2.832   3.865  -2.223
   45   2HB   GLN  69          2HB       GLN  69  -1.965   2.491  -2.871
   46   1HG   GLN  69          1HG       GLN  69  -1.270   4.506  -3.979
   47   2HG   GLN  69          2HG       GLN  69  -2.112   3.459  -5.110
   48   1HE2  GLN  69          HE21      GLN  69  -3.965   4.137  -6.056
   49   2HE2  GLN  69          HE22      GLN  69  -4.610   5.736  -5.871
   50    H    LEU  70           HN       LEU  70  -4.760   2.787  -0.885
   51    HA   LEU  70           HA       LEU  70  -4.245   0.297   0.227
   52   1HB   LEU  70          1HB       LEU  70  -6.693   1.961   0.841
   53   2HB   LEU  70          2HB       LEU  70  -5.954   0.780   1.894
   54    HG   LEU  70           HG       LEU  70  -4.962   3.473   1.140
   55   1HD1  LEU  70          1HD1      LEU  70  -5.530   2.171   3.785
   56   2HD1  LEU  70          2HD1      LEU  70  -6.516   3.392   2.980
   57   3HD1  LEU  70          3HD1      LEU  70  -4.904   3.804   3.563
   58   1HD2  LEU  70          1HD2      LEU  70  -3.398   1.362   2.612
   59   2HD2  LEU  70          2HD2      LEU  70  -2.889   3.026   2.322
   60   3HD2  LEU  70          3HD2      LEU  70  -3.076   1.914   0.968
   61    H    GLN  71           HN       GLN  71  -7.132   1.469  -1.422
   62    HA   GLN  71           HA       GLN  71  -8.642  -0.857  -1.197
   63   1HB   GLN  71          1HB       GLN  71  -9.480   1.416  -1.802
   64   2HB   GLN  71          2HB       GLN  71  -8.768   1.208  -3.395
   65   1HG   GLN  71          1HG       GLN  71 -11.137   0.764  -3.437
   66   2HG   GLN  71          2HG       GLN  71 -10.222  -0.697  -3.802
   67   1HE2  GLN  71          HE21      GLN  71 -11.943  -2.022  -3.214
   68   2HE2  GLN  71          HE22      GLN  71 -12.405  -2.257  -1.561
   69    H    GLN  72           HN       GLN  72  -6.036  -0.016  -3.315
   70    HA   GLN  72           HA       GLN  72  -6.504  -1.842  -5.406
   71   1HB   GLN  72          1HB       GLN  72  -4.269  -0.210  -4.399
   72   2HB   GLN  72          2HB       GLN  72  -3.836  -1.552  -5.419
   73   1HG   GLN  72          1HG       GLN  72  -5.771   0.614  -6.155
   74   2HG   GLN  72          2HG       GLN  72  -4.075   0.579  -6.620
   75   1HE2  GLN  72          HE21      GLN  72  -7.214  -0.850  -7.123
   76   2HE2  GLN  72          HE22      GLN  72  -6.796  -1.721  -8.564
   77    H    LEU  73           HN       LEU  73  -5.040  -2.070  -2.255
   78    HA   LEU  73           HA       LEU  73  -4.208  -4.822  -2.744
   79   1HB   LEU  73          1HB       LEU  73  -3.900  -3.143  -0.254
   80   2HB   LEU  73          2HB       LEU  73  -3.148  -4.698  -0.558
   81    HG   LEU  73           HG       LEU  73  -2.525  -2.049  -1.835
   82   1HD1  LEU  73          1HD1      LEU  73  -1.407  -2.560   0.265
   83   2HD1  LEU  73          2HD1      LEU  73  -0.268  -2.543  -1.081
   84   3HD1  LEU  73          3HD1      LEU  73  -0.819  -4.080  -0.411
   85   1HD2  LEU  73          1HD2      LEU  73  -2.673  -3.655  -3.640
   86   2HD2  LEU  73          2HD2      LEU  73  -1.632  -4.776  -2.759
   87   3HD2  LEU  73          3HD2      LEU  73  -0.987  -3.237  -3.331
   88    H    ARG  74           HN       ARG  74  -6.519  -2.948  -0.876
   89    HA   ARG  74           HA       ARG  74  -7.707  -5.039   0.566
   90   1HB   ARG  74          1HB       ARG  74  -8.937  -2.498  -0.530
   91   2HB   ARG  74          2HB       ARG  74  -9.692  -3.541   0.672
   92   1HG   ARG  74          1HG       ARG  74  -8.232  -2.928   2.330
   93   2HG   ARG  74          2HG       ARG  74  -6.953  -2.502   1.198
   94   1HD   ARG  74          1HD       ARG  74  -7.681  -0.442   2.054
   95   2HD   ARG  74          2HD       ARG  74  -8.460  -0.580   0.481
   96    HE   ARG  74           HE       ARG  74 -10.510  -1.204   1.667
   97   1HH1  ARG  74          1HH1      ARG  74  -7.945   0.201   3.584
   98   2HH1  ARG  74          2HH1      ARG  74  -9.033   1.000   4.678
   99   1HH2  ARG  74          1HH2      ARG  74 -11.950  -0.164   3.136
  100   2HH2  ARG  74          2HH2      ARG  74 -11.293   0.794   4.430
  101    H    ASP  75           HN       ASP  75  -7.858  -4.145  -2.756
  102    HA   ASP  75           HA       ASP  75 -10.091  -5.724  -3.534
  103   1HB   ASP  75          1HB       ASP  75  -9.301  -4.014  -5.028
  104   2HB   ASP  75          2HB       ASP  75  -7.679  -4.700  -5.047
  105    H    MET  76           HN       MET  76  -6.626  -6.355  -3.228
  106    HA   MET  76           HA       MET  76  -6.798  -8.977  -4.404
  107   1HB   MET  76          1HB       MET  76  -4.560  -7.625  -2.885
  108   2HB   MET  76          2HB       MET  76  -4.416  -9.146  -3.755
  109   1HG   MET  76          1HG       MET  76  -4.835  -8.044  -5.849
  110   2HG   MET  76          2HG       MET  76  -5.154  -6.521  -5.024
  111   1HE   MET  76          1HE       MET  76  -0.992  -8.530  -5.080
  112   2HE   MET  76          2HE       MET  76  -2.397  -9.215  -5.895
  113   3HE   MET  76          3HE       MET  76  -2.354  -9.134  -4.133
  114    H    GLY  77           HN       GLY  77  -7.407  -7.659  -1.364
  115   1HA   GLY  77          1HA       GLY  77  -8.405  -8.951   0.375
  116   2HA   GLY  77          2HA       GLY  77  -7.486 -10.344  -0.178
  117    H    ILE  78           HN       ILE  78  -5.856  -7.330   0.027
  118    HA   ILE  78           HA       ILE  78  -4.159  -8.372   2.140
  119    HB   ILE  78           HB       ILE  78  -3.913  -5.682   0.787
  120   1HG1  ILE  78          1HG1      ILE  78  -3.943  -7.313  -0.992
  121   2HG1  ILE  78          2HG1      ILE  78  -2.282  -6.787  -0.748
  122   1HG2  ILE  78          1HG2      ILE  78  -1.884  -7.446   2.156
  123   2HG2  ILE  78          2HG2      ILE  78  -2.596  -5.974   2.816
  124   3HG2  ILE  78          3HG2      ILE  78  -1.551  -5.889   1.398
  125   1HD1  ILE  78          1HD1      ILE  78  -1.809  -8.833   0.479
  126   2HD1  ILE  78          2HD1      ILE  78  -2.429  -9.180  -1.135
  127   3HD1  ILE  78          3HD1      ILE  78  -3.484  -9.350   0.268
  128    H    GLN  79           HN       GLN  79  -4.499  -7.929   4.219
  129    HA   GLN  79           HA       GLN  79  -6.420  -5.836   4.913
  130   1HB   GLN  79          1HB       GLN  79  -6.635  -6.888   7.036
  131   2HB   GLN  79          2HB       GLN  79  -6.651  -8.166   5.824
  132   1HG   GLN  79          1HG       GLN  79  -4.334  -8.639   6.252
  133   2HG   GLN  79          2HG       GLN  79  -4.255  -7.312   7.408
  134   1HE2  GLN  79          HE21      GLN  79  -6.902  -7.887   8.476
  135   2HE2  GLN  79          HE22      GLN  79  -6.732  -9.299   9.459
  136    H    ASP  80           HN       ASP  80  -3.134  -6.190   4.647
  137    HA   ASP  80           HA       ASP  80  -2.341  -4.844   7.049
  138   1HB   ASP  80          1HB       ASP  80  -0.694  -5.477   4.587
  139   2HB   ASP  80          2HB       ASP  80  -0.084  -5.056   6.184
  140    H    ASP  81           HN       ASP  81  -3.972  -3.103   6.320
  141    HA   ASP  81           HA       ASP  81  -3.273  -1.165   4.407
  142   1HB   ASP  81          1HB       ASP  81  -4.960  -1.054   6.901
  143   2HB   ASP  81          2HB       ASP  81  -4.714   0.364   5.891
  144    H    GLU  82           HN       GLU  82  -2.465  -1.517   7.828
  145    HA   GLU  82           HA       GLU  82  -1.229   0.990   8.228
  146   1HB   GLU  82          1HB       GLU  82  -1.893  -0.875   9.921
  147   2HB   GLU  82          2HB       GLU  82  -0.316  -1.557   9.558
  148   1HG   GLU  82          1HG       GLU  82  -0.698   1.254  10.548
  149   2HG   GLU  82          2HG       GLU  82  -0.484  -0.125  11.621
  150    H    LEU  83           HN       LEU  83  -0.024  -2.128   7.218
  151    HA   LEU  83           HA       LEU  83   2.661  -1.490   6.762
  152   1HB   LEU  83          1HB       LEU  83   1.966  -3.763   6.918
  153   2HB   LEU  83          2HB       LEU  83   0.732  -3.533   5.710
  154    HG   LEU  83           HG       LEU  83   2.848  -4.925   5.154
  155   1HD1  LEU  83          1HD1      LEU  83   1.070  -4.419   3.597
  156   2HD1  LEU  83          2HD1      LEU  83   2.641  -4.264   2.803
  157   3HD1  LEU  83          3HD1      LEU  83   1.751  -2.820   3.298
  158   1HD2  LEU  83          1HD2      LEU  83   4.518  -3.297   5.829
  159   2HD2  LEU  83          2HD2      LEU  83   3.879  -2.133   4.668
  160   3HD2  LEU  83          3HD2      LEU  83   4.637  -3.619   4.098
  161    H    SER  84           HN       SER  84  -0.091  -1.645   4.508
  162    HA   SER  84           HA       SER  84   1.310  -1.050   2.184
  163   1HB   SER  84          1HB       SER  84  -0.857  -2.021   2.039
  164   2HB   SER  84          2HB       SER  84  -1.586  -0.683   2.913
  165    HG   SER  84           HG       SER  84  -0.790  -0.861   0.253
  166    H    LEU  85           HN       LEU  85  -0.556   1.180   4.254
  167    HA   LEU  85           HA       LEU  85  -0.293   3.495   2.754
  168   1HB   LEU  85          1HB       LEU  85  -1.467   2.915   5.068
  169   2HB   LEU  85          2HB       LEU  85  -0.016   3.636   5.721
  170    HG   LEU  85           HG       LEU  85  -1.860   5.235   5.631
  171   1HD1  LEU  85          1HD1      LEU  85   0.362   5.861   3.706
  172   2HD1  LEU  85          2HD1      LEU  85   0.367   6.132   5.450
  173   3HD1  LEU  85          3HD1      LEU  85  -0.731   7.048   4.417
  174   1HD2  LEU  85          1HD2      LEU  85  -1.756   4.801   2.654
  175   2HD2  LEU  85          2HD2      LEU  85  -2.708   6.034   3.482
  176   3HD2  LEU  85          3HD2      LEU  85  -3.065   4.325   3.737
  177    H    ARG  86           HN       ARG  86   2.054   1.936   4.857
  178    HA   ARG  86           HA       ARG  86   3.840   4.199   4.870
  179   1HB   ARG  86          1HB       ARG  86   4.008   1.408   5.953
  180   2HB   ARG  86          2HB       ARG  86   5.450   2.410   5.859
  181   1HG   ARG  86          1HG       ARG  86   4.284   4.135   7.201
  182   2HG   ARG  86          2HG       ARG  86   2.922   3.027   7.374
  183   1HD   ARG  86          1HD       ARG  86   5.717   2.274   8.180
  184   2HD   ARG  86          2HD       ARG  86   4.618   3.106   9.277
  185    HE   ARG  86           HE       ARG  86   3.111   1.179   9.037
  186   1HH1  ARG  86          1HH1      ARG  86   6.492   0.763   8.201
  187   2HH1  ARG  86          2HH1      ARG  86   6.493  -0.946   8.517
  188   1HH2  ARG  86          1HH2      ARG  86   3.115  -1.044   9.490
  189   2HH2  ARG  86          2HH2      ARG  86   4.561  -1.982   9.232
  190    H    ALA  87           HN       ALA  87   3.669   1.078   3.210
  191    HA   ALA  87           HA       ALA  87   6.049   1.348   1.722
  192   1HB   ALA  87          1HB       ALA  87   4.997  -0.293   0.188
  193   2HB   ALA  87          2HB       ALA  87   3.483  -0.112   1.081
  194   3HB   ALA  87          3HB       ALA  87   4.908  -0.776   1.882
  195    H    LEU  88           HN       LEU  88   2.833   2.578   1.367
  196    HA   LEU  88           HA       LEU  88   3.078   3.620  -1.255
  197   1HB   LEU  88          1HB       LEU  88   1.217   3.899   1.030
  198   2HB   LEU  88          2HB       LEU  88   1.189   5.174  -0.170
  199    HG   LEU  88           HG       LEU  88  -0.506   3.401  -0.518
  200   1HD1  LEU  88          1HD1      LEU  88   1.577   3.687  -2.684
  201   2HD1  LEU  88          2HD1      LEU  88   0.261   4.814  -2.358
  202   3HD1  LEU  88          3HD1      LEU  88  -0.095   3.183  -2.929
  203   1HD2  LEU  88          1HD2      LEU  88   0.180   1.251  -1.444
  204   2HD2  LEU  88          2HD2      LEU  88   0.797   1.463   0.195
  205   3HD2  LEU  88          3HD2      LEU  88   1.872   1.675  -1.187
  206    H    GLN  89           HN       GLN  89   3.350   5.137   1.957
  207    HA   GLN  89           HA       GLN  89   4.084   7.692   1.145
  208   1HB   GLN  89          1HB       GLN  89   4.930   6.123   3.586
  209   2HB   GLN  89          2HB       GLN  89   5.208   7.842   3.371
  210   1HG   GLN  89          1HG       GLN  89   2.858   8.287   3.357
  211   2HG   GLN  89          2HG       GLN  89   2.490   6.563   3.364
  212   1HE2  GLN  89          HE21      GLN  89   3.571   9.279   5.255
  213   2HE2  GLN  89          HE22      GLN  89   3.410   8.516   6.799
  214    H    ALA  90           HN       ALA  90   6.045   4.798   1.594
  215    HA   ALA  90           HA       ALA  90   8.563   6.033   1.266
  216   1HB   ALA  90          1HB       ALA  90   9.440   3.794   1.042
  217   2HB   ALA  90          2HB       ALA  90   7.819   3.162   0.753
  218   3HB   ALA  90          3HB       ALA  90   8.232   3.840   2.326
  219    H    THR  91           HN       THR  91   6.270   4.692  -1.033
  220    HA   THR  91           HA       THR  91   8.186   4.843  -3.203
  221    HB   THR  91           HB       THR  91   6.255   4.055  -4.605
  222    HG1  THR  91           HG1      THR  91   4.824   3.308  -2.357
  223   1HG2  THR  91          1HG2      THR  91   6.930   2.436  -2.151
  224   2HG2  THR  91          2HG2      THR  91   7.843   2.476  -3.659
  225   3HG2  THR  91          3HG2      THR  91   6.217   1.795  -3.632
  226    H    GLY  92           HN       GLY  92   5.411   6.610  -1.998
  227   1HA   GLY  92          1HA       GLY  92   5.348   9.013  -2.477
  228   2HA   GLY  92          2HA       GLY  92   5.865   8.625  -4.114
  229    H    GLY  93           HN       GLY  93   3.901   6.197  -3.551
  230   1HA   GLY  93          1HA       GLY  93   1.401   6.368  -3.357
  231   2HA   GLY  93          2HA       GLY  93   1.538   7.678  -4.519
  232    H    ASP  94           HN       ASP  94   3.234   4.561  -4.489
  233    HA   ASP  94           HA       ASP  94   1.682   3.792  -6.860
  234   1HB   ASP  94          1HB       ASP  94   4.013   4.577  -7.474
  235   2HB   ASP  94          2HB       ASP  94   4.634   3.214  -6.549
  236    H    ILE  95           HN       ILE  95   1.074   1.716  -6.958
  237    HA   ILE  95           HA       ILE  95   1.183   0.228  -4.478
  238    HB   ILE  95           HB       ILE  95  -0.343  -0.050  -7.050
  239   1HG1  ILE  95          1HG1      ILE  95  -0.987   1.609  -5.281
  240   2HG1  ILE  95          2HG1      ILE  95  -2.234   0.424  -5.673
  241   1HG2  ILE  95          1HG2      ILE  95  -1.477  -2.011  -6.136
  242   2HG2  ILE  95          2HG2      ILE  95  -0.398  -1.995  -4.743
  243   3HG2  ILE  95          3HG2      ILE  95   0.247  -2.320  -6.352
  244   1HD1  ILE  95          1HD1      ILE  95  -2.126   0.771  -3.299
  245   2HD1  ILE  95          2HD1      ILE  95  -0.400   0.390  -3.297
  246   3HD1  ILE  95          3HD1      ILE  95  -1.579  -0.863  -3.688
  247    H    GLN  96           HN       GLN  96   1.986  -0.283  -7.864
  248    HA   GLN  96           HA       GLN  96   2.959  -2.898  -7.607
  249   1HB   GLN  96          1HB       GLN  96   3.595  -0.724  -9.590
  250   2HB   GLN  96          2HB       GLN  96   4.142  -2.389  -9.763
  251   1HG   GLN  96          1HG       GLN  96   1.863  -3.173  -9.849
  252   2HG   GLN  96          2HG       GLN  96   1.262  -1.545  -9.546
  253   1HE2  GLN  96          HE21      GLN  96   0.079  -1.494 -11.403
  254   2HE2  GLN  96          HE22      GLN  96   0.801  -1.341 -12.973
  255    H    ALA  97           HN       ALA  97   4.558   0.219  -7.216
  256    HA   ALA  97           HA       ALA  97   7.134  -0.936  -6.676
  257   1HB   ALA  97          1HB       ALA  97   7.751   1.339  -5.963
  258   2HB   ALA  97          2HB       ALA  97   6.064   1.835  -6.116
  259   3HB   ALA  97          3HB       ALA  97   6.968   1.327  -7.542
  260    H    ALA  98           HN       ALA  98   4.298  -0.121  -4.810
  261    HA   ALA  98           HA       ALA  98   5.477  -0.040  -2.250
  262   1HB   ALA  98          1HB       ALA  98   3.208   0.792  -2.728
  263   2HB   ALA  98          2HB       ALA  98   3.246  -0.328  -1.366
  264   3HB   ALA  98          3HB       ALA  98   2.661  -0.873  -2.939
  265    H    LEU  99           HN       LEU  99   3.976  -2.723  -4.059
  266    HA   LEU  99           HA       LEU  99   4.284  -4.704  -2.122
  267   1HB   LEU  99          1HB       LEU  99   4.072  -4.745  -5.100
  268   2HB   LEU  99          2HB       LEU  99   4.459  -6.225  -4.247
  269    HG   LEU  99           HG       LEU  99   2.366  -5.859  -2.886
  270   1HD1  LEU  99          1HD1      LEU  99   0.629  -4.447  -3.858
  271   2HD1  LEU  99          2HD1      LEU  99   1.796  -3.832  -5.030
  272   3HD1  LEU  99          3HD1      LEU  99   2.016  -3.507  -3.310
  273   1HD2  LEU  99          1HD2      LEU  99   2.065  -6.256  -5.854
  274   2HD2  LEU  99          2HD2      LEU  99   0.899  -6.748  -4.626
  275   3HD2  LEU  99          3HD2      LEU  99   2.495  -7.498  -4.679
  276    H    GLU 100           HN       GLU 100   6.686  -3.060  -3.792
  277    HA   GLU 100           HA       GLU 100   8.631  -5.232  -3.622
  278   1HB   GLU 100          1HB       GLU 100   8.995  -2.418  -4.679
  279   2HB   GLU 100          2HB       GLU 100  10.116  -3.762  -4.865
  280   1HG   GLU 100          1HG       GLU 100   8.475  -4.953  -6.216
  281   2HG   GLU 100          2HG       GLU 100   7.342  -3.617  -6.023
  282    H    LEU 101           HN       LEU 101   7.961  -1.995  -2.429
  283    HA   LEU 101           HA       LEU 101  10.028  -1.804  -0.545
  284   1HB   LEU 101          1HB       LEU 101   7.353  -0.559  -0.930
  285   2HB   LEU 101          2HB       LEU 101   8.095  -0.398   0.644
  286    HG   LEU 101           HG       LEU 101   8.473   1.529  -0.924
  287   1HD1  LEU 101          1HD1      LEU 101  10.848   1.765  -0.371
  288   2HD1  LEU 101          2HD1      LEU 101  10.902   0.062   0.083
  289   3HD1  LEU 101          3HD1      LEU 101   9.901   1.188   1.000
  290   1HD2  LEU 101          1HD2      LEU 101   8.779   0.230  -2.980
  291   2HD2  LEU 101          2HD2      LEU 101  10.273  -0.443  -2.324
  292   3HD2  LEU 101          3HD2      LEU 101  10.157   1.284  -2.663
  293    H    ILE 102           HN       ILE 102   6.777  -3.159  -0.389
  294    HA   ILE 102           HA       ILE 102   6.863  -4.014   2.297
  295    HB   ILE 102           HB       ILE 102   5.290  -5.175  -0.004
  296   1HG1  ILE 102          1HG1      ILE 102   4.250  -3.294   2.094
  297   2HG1  ILE 102          2HG1      ILE 102   5.013  -2.680   0.630
  298   1HG2  ILE 102          1HG2      ILE 102   4.820  -5.417   2.970
  299   2HG2  ILE 102          2HG2      ILE 102   5.436  -6.696   1.921
  300   3HG2  ILE 102          3HG2      ILE 102   3.798  -6.081   1.694
  301   1HD1  ILE 102          1HD1      ILE 102   3.358  -3.880  -0.710
  302   2HD1  ILE 102          2HD1      ILE 102   2.605  -2.732   0.399
  303   3HD1  ILE 102          3HD1      ILE 102   2.590  -4.458   0.768
  304    H    PHE 103           HN       PHE 103   7.588  -5.592  -0.757
  305    HA   PHE 103           HA       PHE 103   8.206  -8.151   0.104
  306   1HB   PHE 103          1HB       PHE 103   8.028  -7.389  -2.267
  307   2HB   PHE 103          2HB       PHE 103   9.601  -6.619  -2.099
  308    HD1  PHE 103           HD1      PHE 103   7.826  -9.818  -2.263
  309    HD2  PHE 103           HD2      PHE 103  11.613  -7.890  -2.154
  310    HE1  PHE 103           HE1      PHE 103   8.908 -11.920  -2.933
  311    HE2  PHE 103           HE2      PHE 103  12.707  -9.990  -2.823
  312    HZ   PHE 103           HZ       PHE 103  11.353 -12.007  -3.211
  313    H    ALA 104           HN       ALA 104  10.328  -5.312  -0.085
  314    HA   ALA 104           HA       ALA 104  12.626  -6.802   0.832
  315   1HB   ALA 104          1HB       ALA 104  12.265  -3.831   0.419
  316   2HB   ALA 104          2HB       ALA 104  12.913  -4.971  -0.762
  317   3HB   ALA 104          3HB       ALA 104  13.793  -4.654   0.731
  318    H    GLY 105           HN       GLY 105  10.326  -4.485   2.074
  319   1HA   GLY 105          1HA       GLY 105   9.467  -4.686   4.255
  320   2HA   GLY 105          2HA       GLY 105  10.993  -5.381   4.781
  321    H    GLY 106           HN       GLY 106  11.719  -2.831   2.831
  322   1HA   GLY 106          1HA       GLY 106  11.404  -0.719   4.779
  323   2HA   GLY 106          2HA       GLY 106  13.051  -1.307   4.616
  324    H    ALA 107           HN       ALA 107  13.660  -1.560   2.158
  325    HA   ALA 107           HA       ALA 107  12.609   0.271   0.282
  326   1HB   ALA 107          1HB       ALA 107  13.551   1.939   1.814
  327   2HB   ALA 107          2HB       ALA 107  14.411   1.927   0.274
  328   3HB   ALA 107          3HB       ALA 107  15.129   1.161   1.692
  329    HA   PRO 108           HA       PRO 108  15.146  -2.343  -2.270
  330   1HB   PRO 108          1HB       PRO 108  15.460  -0.713  -4.445
  331   2HB   PRO 108          2HB       PRO 108  13.983  -1.623  -4.112
  332   1HG   PRO 108          1HG       PRO 108  14.598   1.257  -3.581
  333   2HG   PRO 108          2HG       PRO 108  13.103   0.523  -4.189
  334   1HD   PRO 108          1HD       PRO 108  13.393   1.295  -1.616
  335   2HD   PRO 108          2HD       PRO 108  12.401  -0.100  -2.084
  Start of MODEL    2
    1    H    GLY  63           HT1      GLY  63 -11.076  10.869   3.308
    2   1HA   GLY  63          1HA       GLY  63  -9.386  10.672   4.975
    3   2HA   GLY  63          2HA       GLY  63  -9.340   9.291   3.890
    4    H    SER  64           HN       SER  64  -7.708   9.279   2.207
    5    HA   SER  64           HA       SER  64  -5.474  11.114   2.606
    6   1HB   SER  64          1HB       SER  64  -3.896   9.133   2.670
    7   2HB   SER  64          2HB       SER  64  -4.875   9.361   4.120
    8    HG   SER  64           HG       SER  64  -5.881   7.545   3.743
    9    H    GLN  65           HN       GLN  65  -3.643  10.299   0.951
   10    HA   GLN  65           HA       GLN  65  -5.069  10.359  -1.604
   11   1HB   GLN  65          1HB       GLN  65  -2.181  11.055  -1.034
   12   2HB   GLN  65          2HB       GLN  65  -3.056  11.343  -2.533
   13   1HG   GLN  65          1HG       GLN  65  -4.561  12.869  -1.318
   14   2HG   GLN  65          2HG       GLN  65  -3.582  12.628   0.128
   15   1HE2  GLN  65          HE21      GLN  65  -1.531  13.522   0.240
   16   2HE2  GLN  65          HE22      GLN  65  -1.001  14.753  -0.862
   17    H    TRP  66           HN       TRP  66  -3.887   8.159   0.333
   18    HA   TRP  66           HA       TRP  66  -2.923   6.464  -1.868
   19   1HB   TRP  66          1HB       TRP  66  -1.981   6.364   1.005
   20   2HB   TRP  66          2HB       TRP  66  -1.447   5.308  -0.304
   21    HD1  TRP  66           HD1      TRP  66  -0.109   6.594  -2.343
   22    HE1  TRP  66           HE1      TRP  66   1.568   8.551  -2.212
   23    HE3  TRP  66           HE3      TRP  66  -1.355   8.402   2.262
   24    HZ2  TRP  66           HZ2      TRP  66   2.267  10.582  -0.384
   25    HZ3  TRP  66           HZ3      TRP  66  -0.135  10.351   3.136
   26    HH2  TRP  66           HH2      TRP  66   1.640  11.418   1.837
   27    H    GLN  67           HN       GLN  67  -5.381   6.986   0.227
   28    HA   GLN  67           HA       GLN  67  -5.842   4.373   1.212
   29   1HB   GLN  67          1HB       GLN  67  -6.874   6.591   2.022
   30   2HB   GLN  67          2HB       GLN  67  -8.054   6.338   0.741
   31   1HG   GLN  67          1HG       GLN  67  -8.561   4.121   1.703
   32   2HG   GLN  67          2HG       GLN  67  -7.461   4.486   3.032
   33   1HE2  GLN  67          HE21      GLN  67 -10.333   3.930   3.075
   34   2HE2  GLN  67          HE22      GLN  67 -11.078   5.303   3.820
   35    HA   PRO  68           HA       PRO  68  -8.686   3.944  -2.795
   36   1HB   PRO  68          1HB       PRO  68  -6.998   5.644  -4.558
   37   2HB   PRO  68          2HB       PRO  68  -8.750   5.404  -4.569
   38   1HG   PRO  68          1HG       PRO  68  -7.723   7.673  -3.631
   39   2HG   PRO  68          2HG       PRO  68  -9.103   6.906  -2.824
   40   1HD   PRO  68          1HD       PRO  68  -6.211   6.901  -2.056
   41   2HD   PRO  68          2HD       PRO  68  -7.647   7.064  -1.025
   42    H    GLN  69           HN       GLN  69  -5.232   4.588  -2.773
   43    HA   GLN  69           HA       GLN  69  -4.441   2.495  -4.499
   44   1HB   GLN  69          1HB       GLN  69  -3.032   4.057  -2.347
   45   2HB   GLN  69          2HB       GLN  69  -2.236   2.742  -3.173
   46   1HG   GLN  69          1HG       GLN  69  -1.613   4.843  -4.157
   47   2HG   GLN  69          2HG       GLN  69  -2.534   3.886  -5.302
   48   1HE2  GLN  69          HE21      GLN  69  -3.088   5.669  -6.525
   49   2HE2  GLN  69          HE22      GLN  69  -4.244   6.836  -5.981
   50    H    LEU  70           HN       LEU  70  -4.617   2.732  -0.941
   51    HA   LEU  70           HA       LEU  70  -3.979   0.142  -0.222
   52   1HB   LEU  70          1HB       LEU  70  -6.345   1.572   0.973
   53   2HB   LEU  70          2HB       LEU  70  -5.309   0.398   1.748
   54    HG   LEU  70           HG       LEU  70  -4.700   3.252   1.083
   55   1HD1  LEU  70          1HD1      LEU  70  -4.769   1.731   3.678
   56   2HD1  LEU  70          2HD1      LEU  70  -5.982   2.876   3.108
   57   3HD1  LEU  70          3HD1      LEU  70  -4.354   3.435   3.494
   58   1HD2  LEU  70          1HD2      LEU  70  -2.464   2.911   1.941
   59   2HD2  LEU  70          2HD2      LEU  70  -2.745   1.865   0.550
   60   3HD2  LEU  70          3HD2      LEU  70  -2.797   1.196   2.182
   61    H    GLN  71           HN       GLN  71  -7.006   1.405  -1.472
   62    HA   GLN  71           HA       GLN  71  -8.628  -0.818  -1.029
   63   1HB   GLN  71          1HB       GLN  71  -8.796   1.342  -3.121
   64   2HB   GLN  71          2HB       GLN  71 -10.068   0.160  -2.839
   65   1HG   GLN  71          1HG       GLN  71 -10.300   0.970  -0.552
   66   2HG   GLN  71          2HG       GLN  71  -9.009   2.135  -0.842
   67   1HE2  GLN  71          HE21      GLN  71 -10.369   3.873  -0.378
   68   2HE2  GLN  71          HE22      GLN  71 -11.587   4.404  -1.485
   69    H    GLN  72           HN       GLN  72  -6.228  -0.269  -3.517
   70    HA   GLN  72           HA       GLN  72  -7.113  -2.213  -5.344
   71   1HB   GLN  72          1HB       GLN  72  -4.428  -1.038  -4.710
   72   2HB   GLN  72          2HB       GLN  72  -4.708  -2.127  -6.030
   73   1HG   GLN  72          1HG       GLN  72  -6.018   0.549  -5.701
   74   2HG   GLN  72          2HG       GLN  72  -4.649   0.197  -6.758
   75   1HE2  GLN  72          HE21      GLN  72  -7.366   1.177  -7.371
   76   2HE2  GLN  72          HE22      GLN  72  -8.001   0.061  -8.535
   77    H    LEU  73           HN       LEU  73  -4.846  -2.236  -2.643
   78    HA   LEU  73           HA       LEU  73  -4.143  -4.989  -2.994
   79   1HB   LEU  73          1HB       LEU  73  -3.689  -3.219  -0.589
   80   2HB   LEU  73          2HB       LEU  73  -2.852  -4.714  -0.963
   81    HG   LEU  73           HG       LEU  73  -2.622  -2.075  -2.390
   82   1HD1  LEU  73          1HD1      LEU  73  -0.274  -2.263  -1.773
   83   2HD1  LEU  73          2HD1      LEU  73  -0.601  -3.800  -0.972
   84   3HD1  LEU  73          3HD1      LEU  73  -1.312  -2.312  -0.345
   85   1HD2  LEU  73          1HD2      LEU  73  -2.698  -3.791  -4.080
   86   2HD2  LEU  73          2HD2      LEU  73  -1.513  -4.757  -3.202
   87   3HD2  LEU  73          3HD2      LEU  73  -1.043  -3.211  -3.905
   88    H    ARG  74           HN       ARG  74  -6.276  -3.160  -0.856
   89    HA   ARG  74           HA       ARG  74  -7.047  -5.290   0.798
   90   1HB   ARG  74          1HB       ARG  74  -8.624  -2.846  -0.015
   91   2HB   ARG  74          2HB       ARG  74  -9.036  -3.925   1.315
   92   1HG   ARG  74          1HG       ARG  74  -7.161  -3.296   2.562
   93   2HG   ARG  74          2HG       ARG  74  -6.385  -2.551   1.166
   94   1HD   ARG  74          1HD       ARG  74  -7.157  -0.666   2.189
   95   2HD   ARG  74          2HD       ARG  74  -8.589  -1.066   1.239
   96    HE   ARG  74           HE       ARG  74  -8.281  -1.817   4.079
   97   1HH1  ARG  74          1HH1      ARG  74 -10.271  -0.748   1.388
   98   2HH1  ARG  74          2HH1      ARG  74 -11.640  -0.405   2.395
   99   1HH2  ARG  74          1HH2      ARG  74 -10.082  -1.388   5.383
  100   2HH2  ARG  74          2HH2      ARG  74 -11.548  -0.780   4.658
  101    H    ASP  75           HN       ASP  75  -7.967  -4.348  -2.400
  102    HA   ASP  75           HA       ASP  75 -10.262  -6.050  -2.593
  103   1HB   ASP  75          1HB       ASP  75  -9.950  -3.989  -3.966
  104   2HB   ASP  75          2HB       ASP  75  -8.638  -4.799  -4.816
  105    H    MET  76           HN       MET  76  -6.819  -6.387  -3.154
  106    HA   MET  76           HA       MET  76  -7.180  -8.883  -4.587
  107   1HB   MET  76          1HB       MET  76  -4.925  -8.845  -5.068
  108   2HB   MET  76          2HB       MET  76  -5.312  -7.131  -4.990
  109   1HG   MET  76          1HG       MET  76  -4.400  -6.970  -2.790
  110   2HG   MET  76          2HG       MET  76  -4.177  -8.716  -2.729
  111   1HE   MET  76          1HE       MET  76  -2.352 -10.033  -4.079
  112   2HE   MET  76          2HE       MET  76  -1.291  -9.301  -5.284
  113   3HE   MET  76          3HE       MET  76  -3.024  -9.418  -5.593
  114    H    GLY  77           HN       GLY  77  -7.202  -7.894  -1.426
  115   1HA   GLY  77          1HA       GLY  77  -7.949  -9.658   0.092
  116   2HA   GLY  77          2HA       GLY  77  -6.694 -10.677  -0.588
  117    H    ILE  78           HN       ILE  78  -5.728  -7.435  -0.066
  118    HA   ILE  78           HA       ILE  78  -4.024  -8.356   2.125
  119    HB   ILE  78           HB       ILE  78  -3.920  -5.645   0.808
  120   1HG1  ILE  78          1HG1      ILE  78  -3.606  -7.105  -1.030
  121   2HG1  ILE  78          2HG1      ILE  78  -1.984  -6.654  -0.520
  122   1HG2  ILE  78          1HG2      ILE  78  -2.743  -5.837   2.924
  123   2HG2  ILE  78          2HG2      ILE  78  -1.602  -5.645   1.591
  124   3HG2  ILE  78          3HG2      ILE  78  -1.855  -7.234   2.316
  125   1HD1  ILE  78          1HD1      ILE  78  -1.785  -8.789   0.665
  126   2HD1  ILE  78          2HD1      ILE  78  -2.097  -9.002  -1.060
  127   3HD1  ILE  78          3HD1      ILE  78  -3.399  -9.231   0.107
  128    H    GLN  79           HN       GLN  79  -4.573  -7.981   4.174
  129    HA   GLN  79           HA       GLN  79  -6.564  -5.928   4.777
  130   1HB   GLN  79          1HB       GLN  79  -6.703  -8.235   5.748
  131   2HB   GLN  79          2HB       GLN  79  -5.252  -7.865   6.672
  132   1HG   GLN  79          1HG       GLN  79  -7.172  -7.535   8.055
  133   2HG   GLN  79          2HG       GLN  79  -6.433  -5.969   7.713
  134   1HE2  GLN  79          HE21      GLN  79  -8.359  -4.879   8.153
  135   2HE2  GLN  79          HE22      GLN  79  -9.710  -4.919   7.074
  136    H    ASP  80           HN       ASP  80  -3.195  -6.370   4.823
  137    HA   ASP  80           HA       ASP  80  -2.564  -4.675   7.031
  138   1HB   ASP  80          1HB       ASP  80  -0.801  -5.576   4.736
  139   2HB   ASP  80          2HB       ASP  80  -0.257  -4.876   6.253
  140    H    ASP  81           HN       ASP  81  -3.949  -2.875   6.390
  141    HA   ASP  81           HA       ASP  81  -3.263  -1.340   4.052
  142   1HB   ASP  81          1HB       ASP  81  -5.004   0.179   4.704
  143   2HB   ASP  81          2HB       ASP  81  -5.595  -1.454   4.977
  144    H    GLU  82           HN       GLU  82  -2.577  -1.248   7.481
  145    HA   GLU  82           HA       GLU  82  -1.318   1.281   7.603
  146   1HB   GLU  82          1HB       GLU  82  -1.867   0.031   9.615
  147   2HB   GLU  82          2HB       GLU  82  -0.805  -1.282   9.138
  148   1HG   GLU  82          1HG       GLU  82   0.229   0.000  10.879
  149   2HG   GLU  82          2HG       GLU  82   1.125   0.226   9.378
  150    H    LEU  83           HN       LEU  83   0.005  -1.949   7.142
  151    HA   LEU  83           HA       LEU  83   2.610  -1.445   6.467
  152   1HB   LEU  83          1HB       LEU  83   1.841  -3.658   6.779
  153   2HB   LEU  83          2HB       LEU  83   0.587  -3.464   5.586
  154    HG   LEU  83           HG       LEU  83   2.587  -4.991   5.072
  155   1HD1  LEU  83          1HD1      LEU  83   0.838  -4.432   3.498
  156   2HD1  LEU  83          2HD1      LEU  83   2.412  -4.459   2.697
  157   3HD1  LEU  83          3HD1      LEU  83   1.650  -2.917   3.100
  158   1HD2  LEU  83          1HD2      LEU  83   4.378  -3.465   5.660
  159   2HD2  LEU  83          2HD2      LEU  83   3.823  -2.309   4.448
  160   3HD2  LEU  83          3HD2      LEU  83   4.463  -3.874   3.948
  161    H    SER  84           HN       SER  84  -0.174  -1.544   4.235
  162    HA   SER  84           HA       SER  84   1.333  -1.011   1.928
  163   1HB   SER  84          1HB       SER  84  -0.801  -2.042   1.685
  164   2HB   SER  84          2HB       SER  84  -1.605  -0.719   2.514
  165    HG   SER  84           HG       SER  84  -0.142  -0.067   0.242
  166    H    LEU  85           HN       LEU  85  -0.620   1.163   3.977
  167    HA   LEU  85           HA       LEU  85  -0.352   3.510   2.517
  168   1HB   LEU  85          1HB       LEU  85  -1.592   2.898   4.776
  169   2HB   LEU  85          2HB       LEU  85  -0.152   3.587   5.490
  170    HG   LEU  85           HG       LEU  85  -1.985   5.208   5.382
  171   1HD1  LEU  85          1HD1      LEU  85   0.302   5.869   3.544
  172   2HD1  LEU  85          2HD1      LEU  85   0.274   6.058   5.298
  173   3HD1  LEU  85          3HD1      LEU  85  -0.788   7.040   4.290
  174   1HD2  LEU  85          1HD2      LEU  85  -1.766   4.893   2.395
  175   2HD2  LEU  85          2HD2      LEU  85  -2.760   6.076   3.248
  176   3HD2  LEU  85          3HD2      LEU  85  -3.112   4.354   3.401
  177    H    ARG  86           HN       ARG  86   1.892   1.981   4.751
  178    HA   ARG  86           HA       ARG  86   3.704   4.190   4.871
  179   1HB   ARG  86          1HB       ARG  86   4.089   1.279   5.569
  180   2HB   ARG  86          2HB       ARG  86   5.259   2.545   5.905
  181   1HG   ARG  86          1HG       ARG  86   3.669   3.656   7.361
  182   2HG   ARG  86          2HG       ARG  86   2.458   2.426   6.995
  183   1HD   ARG  86          1HD       ARG  86   3.953   0.713   7.936
  184   2HD   ARG  86          2HD       ARG  86   5.112   1.977   8.347
  185    HE   ARG  86           HE       ARG  86   2.448   2.348   9.432
  186   1HH1  ARG  86          1HH1      ARG  86   5.661   1.034   9.922
  187   2HH1  ARG  86          2HH1      ARG  86   5.542   1.045  11.656
  188   1HH2  ARG  86          1HH2      ARG  86   2.273   2.329  11.715
  189   2HH2  ARG  86          2HH2      ARG  86   3.597   1.749  12.683
  190    H    ALA  87           HN       ALA  87   3.619   1.146   3.069
  191    HA   ALA  87           HA       ALA  87   6.019   1.481   1.646
  192   1HB   ALA  87          1HB       ALA  87   4.869  -0.648   1.767
  193   2HB   ALA  87          2HB       ALA  87   5.043  -0.157   0.081
  194   3HB   ALA  87          3HB       ALA  87   3.487   0.023   0.899
  195    H    LEU  88           HN       LEU  88   2.770   2.636   1.159
  196    HA   LEU  88           HA       LEU  88   3.065   3.695  -1.438
  197   1HB   LEU  88          1HB       LEU  88   1.171   4.011   0.823
  198   2HB   LEU  88          2HB       LEU  88   1.170   5.273  -0.392
  199    HG   LEU  88           HG       LEU  88  -0.520   3.409  -0.665
  200   1HD1  LEU  88          1HD1      LEU  88   1.407   3.973  -2.919
  201   2HD1  LEU  88          2HD1      LEU  88   0.015   4.956  -2.462
  202   3HD1  LEU  88          3HD1      LEU  88  -0.227   3.333  -3.110
  203   1HD2  LEU  88          1HD2      LEU  88   0.889   1.509  -0.155
  204   2HD2  LEU  88          2HD2      LEU  88   1.930   1.886  -1.530
  205   3HD2  LEU  88          3HD2      LEU  88   0.261   1.380  -1.798
  206    H    GLN  89           HN       GLN  89   3.244   5.281   1.755
  207    HA   GLN  89           HA       GLN  89   3.924   7.828   0.884
  208   1HB   GLN  89          1HB       GLN  89   4.779   6.398   3.403
  209   2HB   GLN  89          2HB       GLN  89   4.933   8.124   3.126
  210   1HG   GLN  89          1HG       GLN  89   2.500   8.307   2.932
  211   2HG   GLN  89          2HG       GLN  89   2.359   6.575   3.243
  212   1HE2  GLN  89          HE21      GLN  89   1.280   8.806   4.770
  213   2HE2  GLN  89          HE22      GLN  89   1.944   8.674   6.360
  214    H    ALA  90           HN       ALA  90   6.005   5.059   1.577
  215    HA   ALA  90           HA       ALA  90   8.455   6.440   1.340
  216   1HB   ALA  90          1HB       ALA  90   8.285   4.341   2.545
  217   2HB   ALA  90          2HB       ALA  90   9.477   4.215   1.253
  218   3HB   ALA  90          3HB       ALA  90   7.879   3.499   1.051
  219    H    THR  91           HN       THR  91   6.391   4.878  -1.009
  220    HA   THR  91           HA       THR  91   8.393   5.077  -3.098
  221    HB   THR  91           HB       THR  91   6.522   4.245  -4.573
  222    HG1  THR  91           HG1      THR  91   5.095   3.488  -2.296
  223   1HG2  THR  91          1HG2      THR  91   8.146   2.718  -3.625
  224   2HG2  THR  91          2HG2      THR  91   6.547   1.972  -3.608
  225   3HG2  THR  91          3HG2      THR  91   7.228   2.639  -2.121
  226    H    GLY  92           HN       GLY  92   5.524   6.737  -2.001
  227   1HA   GLY  92          1HA       GLY  92   5.411   9.145  -2.488
  228   2HA   GLY  92          2HA       GLY  92   5.943   8.753  -4.117
  229    H    GLY  93           HN       GLY  93   4.039   6.274  -3.421
  230   1HA   GLY  93          1HA       GLY  93   1.546   6.333  -3.341
  231   2HA   GLY  93          2HA       GLY  93   1.662   7.646  -4.506
  232    H    ASP  94           HN       ASP  94   3.472   4.592  -4.408
  233    HA   ASP  94           HA       ASP  94   2.170   3.866  -6.936
  234   1HB   ASP  94          1HB       ASP  94   4.559   4.724  -7.209
  235   2HB   ASP  94          2HB       ASP  94   5.071   3.272  -6.351
  236    H    ILE  95           HN       ILE  95   1.086   2.114  -6.694
  237    HA   ILE  95           HA       ILE  95   1.215   0.409  -4.462
  238    HB   ILE  95           HB       ILE  95  -0.135   0.218  -7.136
  239   1HG1  ILE  95          1HG1      ILE  95  -0.907   1.857  -5.423
  240   2HG1  ILE  95          2HG1      ILE  95  -2.124   0.668  -5.873
  241   1HG2  ILE  95          1HG2      ILE  95  -0.369  -1.780  -4.886
  242   2HG2  ILE  95          2HG2      ILE  95   0.337  -2.076  -6.475
  243   3HG2  ILE  95          3HG2      ILE  95  -1.386  -1.723  -6.327
  244   1HD1  ILE  95          1HD1      ILE  95  -1.595  -0.604  -3.849
  245   2HD1  ILE  95          2HD1      ILE  95  -2.132   1.039  -3.488
  246   3HD1  ILE  95          3HD1      ILE  95  -0.419   0.630  -3.404
  247    H    GLN  96           HN       GLN  96   2.197  -0.117  -7.825
  248    HA   GLN  96           HA       GLN  96   3.097  -2.742  -7.535
  249   1HB   GLN  96          1HB       GLN  96   3.789  -0.558  -9.471
  250   2HB   GLN  96          2HB       GLN  96   4.478  -2.173  -9.606
  251   1HG   GLN  96          1HG       GLN  96   2.376  -3.149  -9.991
  252   2HG   GLN  96          2HG       GLN  96   1.522  -1.696  -9.474
  253   1HE2  GLN  96          HE21      GLN  96   0.368  -1.647 -11.389
  254   2HE2  GLN  96          HE22      GLN  96   1.089  -1.127 -12.877
  255    H    ALA  97           HN       ALA  97   4.873   0.303  -7.125
  256    HA   ALA  97           HA       ALA  97   7.376  -0.990  -6.552
  257   1HB   ALA  97          1HB       ALA  97   8.078   1.262  -5.797
  258   2HB   ALA  97          2HB       ALA  97   6.419   1.827  -6.020
  259   3HB   ALA  97          3HB       ALA  97   7.358   1.269  -7.406
  260    H    ALA  98           HN       ALA  98   4.600   0.012  -4.682
  261    HA   ALA  98           HA       ALA  98   5.808  -0.170  -2.115
  262   1HB   ALA  98          1HB       ALA  98   3.694   1.007  -2.463
  263   2HB   ALA  98          2HB       ALA  98   3.505  -0.278  -1.272
  264   3HB   ALA  98          3HB       ALA  98   2.911  -0.506  -2.918
  265    H    LEU  99           HN       LEU  99   4.317  -2.449  -4.309
  266    HA   LEU  99           HA       LEU  99   4.005  -4.648  -2.624
  267   1HB   LEU  99          1HB       LEU  99   4.863  -4.749  -5.516
  268   2HB   LEU  99          2HB       LEU  99   4.060  -6.018  -4.616
  269    HG   LEU  99           HG       LEU  99   2.903  -3.419  -5.589
  270   1HD1  LEU  99          1HD1      LEU  99   1.273  -4.911  -6.654
  271   2HD1  LEU  99          2HD1      LEU  99   2.164  -6.303  -6.034
  272   3HD1  LEU  99          3HD1      LEU  99   2.922  -5.217  -7.198
  273   1HD2  LEU  99          1HD2      LEU  99   0.821  -4.059  -4.440
  274   2HD2  LEU  99          2HD2      LEU  99   2.134  -3.671  -3.327
  275   3HD2  LEU  99          3HD2      LEU  99   1.696  -5.356  -3.625
  276    H    GLU 100           HN       GLU 100   6.831  -3.174  -3.830
  277    HA   GLU 100           HA       GLU 100   8.501  -5.531  -3.512
  278   1HB   GLU 100          1HB       GLU 100   9.069  -2.714  -4.458
  279   2HB   GLU 100          2HB       GLU 100  10.319  -3.945  -4.274
  280   1HG   GLU 100          1HG       GLU 100   9.099  -5.353  -5.903
  281   2HG   GLU 100          2HG       GLU 100   7.950  -4.032  -6.127
  282    H    LEU 101           HN       LEU 101   8.034  -2.301  -2.176
  283    HA   LEU 101           HA       LEU 101   9.854  -2.475  -0.053
  284   1HB   LEU 101          1HB       LEU 101   7.275  -0.974  -0.449
  285   2HB   LEU 101          2HB       LEU 101   8.231  -0.804   1.001
  286    HG   LEU 101           HG       LEU 101   9.073  -0.087  -1.797
  287   1HD1  LEU 101          1HD1      LEU 101   9.148   2.181  -0.912
  288   2HD1  LEU 101          2HD1      LEU 101   8.600   1.593   0.659
  289   3HD1  LEU 101          3HD1      LEU 101   7.535   1.485  -0.744
  290   1HD2  LEU 101          1HD2      LEU 101  11.142   0.740  -0.763
  291   2HD2  LEU 101          2HD2      LEU 101  10.968  -1.006  -0.589
  292   3HD2  LEU 101          3HD2      LEU 101  10.634   0.054   0.781
  293    H    ILE 102           HN       ILE 102   6.512  -3.510  -0.412
  294    HA   ILE 102           HA       ILE 102   6.138  -4.395   2.240
  295    HB   ILE 102           HB       ILE 102   4.753  -5.243  -0.299
  296   1HG1  ILE 102          1HG1      ILE 102   3.697  -3.436   1.866
  297   2HG1  ILE 102          2HG1      ILE 102   4.644  -2.807   0.520
  298   1HG2  ILE 102          1HG2      ILE 102   4.522  -6.948   1.447
  299   2HG2  ILE 102          2HG2      ILE 102   2.988  -6.137   1.127
  300   3HG2  ILE 102          3HG2      ILE 102   3.922  -5.720   2.565
  301   1HD1  ILE 102          1HD1      ILE 102   2.311  -2.554   0.044
  302   2HD1  ILE 102          2HD1      ILE 102   2.020  -4.265   0.361
  303   3HD1  ILE 102          3HD1      ILE 102   2.989  -3.779  -1.031
  304    H    PHE 103           HN       PHE 103   6.910  -6.075  -0.751
  305    HA   PHE 103           HA       PHE 103   7.191  -8.670   0.186
  306   1HB   PHE 103          1HB       PHE 103   7.212  -8.028  -2.200
  307   2HB   PHE 103          2HB       PHE 103   8.809  -7.321  -1.988
  308    HD1  PHE 103           HD1      PHE 103   6.919 -10.498  -1.937
  309    HD2  PHE 103           HD2      PHE 103  10.746  -8.643  -2.092
  310    HE1  PHE 103           HE1      PHE 103   7.947 -12.670  -2.460
  311    HE2  PHE 103           HE2      PHE 103  11.780 -10.809  -2.623
  312    HZ   PHE 103           HZ       PHE 103  10.371 -12.825  -2.833
  313    H    ALA 104           HN       ALA 104   9.536  -6.024   0.263
  314    HA   ALA 104           HA       ALA 104  11.657  -7.751   1.223
  315   1HB   ALA 104          1HB       ALA 104  11.570  -4.745   0.933
  316   2HB   ALA 104          2HB       ALA 104  12.190  -5.879  -0.268
  317   3HB   ALA 104          3HB       ALA 104  13.003  -5.710   1.288
  318    H    GLY 105           HN       GLY 105   9.391  -5.388   2.421
  319   1HA   GLY 105          1HA       GLY 105   8.440  -5.505   4.552
  320   2HA   GLY 105          2HA       GLY 105   9.839  -6.405   5.122
  321    H    GLY 106           HN       GLY 106  11.203  -4.061   3.419
  322   1HA   GLY 106          1HA       GLY 106  11.704  -2.460   5.803
  323   2HA   GLY 106          2HA       GLY 106  12.647  -2.443   4.319
  324    H    ALA 107           HN       ALA 107   9.687  -1.339   5.845
  325    HA   ALA 107           HA       ALA 107   9.340   0.639   3.701
  326   1HB   ALA 107          1HB       ALA 107   7.099   0.990   4.600
  327   2HB   ALA 107          2HB       ALA 107   7.435  -0.147   5.907
  328   3HB   ALA 107          3HB       ALA 107   7.370  -0.717   4.239
  329    HA   PRO 108           HA       PRO 108  11.264   3.332   6.777
  330   1HB   PRO 108          1HB       PRO 108  11.633   5.208   4.599
  331   2HB   PRO 108          2HB       PRO 108  12.854   4.297   5.489
  332   1HG   PRO 108          1HG       PRO 108  12.248   3.838   2.869
  333   2HG   PRO 108          2HG       PRO 108  12.885   2.595   3.959
  334   1HD   PRO 108          1HD       PRO 108  10.068   3.076   3.068
  335   2HD   PRO 108          2HD       PRO 108  10.935   1.539   3.290
  Start of MODEL    3
    1    H    GLY  63           HT1      GLY  63 -10.337   9.984   4.531
    2   1HA   GLY  63          1HA       GLY  63 -10.168  10.069   2.114
    3   2HA   GLY  63          2HA       GLY  63  -9.974  11.814   2.226
    4    H    SER  64           HN       SER  64  -8.104  10.049   1.040
    5    HA   SER  64           HA       SER  64  -5.731  10.811   2.453
    6   1HB   SER  64          1HB       SER  64  -6.304   8.820   3.756
    7   2HB   SER  64          2HB       SER  64  -6.445   7.873   2.276
    8    HG   SER  64           HG       SER  64  -4.343   8.045   3.697
    9    H    GLN  65           HN       GLN  65  -3.789  10.248   1.220
   10    HA   GLN  65           HA       GLN  65  -4.366  10.666  -1.587
   11   1HB   GLN  65          1HB       GLN  65  -1.722  10.508  -0.119
   12   2HB   GLN  65          2HB       GLN  65  -1.948  11.059  -1.772
   13   1HG   GLN  65          1HG       GLN  65  -3.077  13.014  -1.065
   14   2HG   GLN  65          2HG       GLN  65  -3.229  12.406   0.585
   15   1HE2  GLN  65          HE21      GLN  65  -1.080  13.771  -1.778
   16   2HE2  GLN  65          HE22      GLN  65   0.194  14.175  -0.685
   17    H    TRP  66           HN       TRP  66  -3.715   8.117   0.477
   18    HA   TRP  66           HA       TRP  66  -2.886   6.402  -1.760
   19   1HB   TRP  66          1HB       TRP  66  -1.977   6.189   1.115
   20   2HB   TRP  66          2HB       TRP  66  -1.486   5.136  -0.213
   21    HD1  TRP  66           HD1      TRP  66  -0.328   6.628  -2.337
   22    HE1  TRP  66           HE1      TRP  66   1.503   8.432  -2.148
   23    HE3  TRP  66           HE3      TRP  66  -0.942   7.856   2.572
   24    HZ2  TRP  66           HZ2      TRP  66   2.548  10.148  -0.154
   25    HZ3  TRP  66           HZ3      TRP  66   0.509   9.587   3.550
   26    HH2  TRP  66           HH2      TRP  66   2.216  10.707   2.213
   27    H    GLN  67           HN       GLN  67  -5.424   7.067   0.063
   28    HA   GLN  67           HA       GLN  67  -6.007   4.551   1.241
   29   1HB   GLN  67          1HB       GLN  67  -7.010   6.772   1.925
   30   2HB   GLN  67          2HB       GLN  67  -8.074   6.613   0.531
   31   1HG   GLN  67          1HG       GLN  67  -9.091   4.679   1.397
   32   2HG   GLN  67          2HG       GLN  67  -7.841   4.480   2.624
   33   1HE2  GLN  67          HE21      GLN  67  -7.812   7.302   3.313
   34   2HE2  GLN  67          HE22      GLN  67  -9.252   7.599   4.224
   35    HA   PRO  68           HA       PRO  68  -8.600   3.819  -2.875
   36   1HB   PRO  68          1HB       PRO  68  -6.798   5.333  -4.695
   37   2HB   PRO  68          2HB       PRO  68  -8.552   5.120  -4.762
   38   1HG   PRO  68          1HG       PRO  68  -7.491   7.439  -3.995
   39   2HG   PRO  68          2HG       PRO  68  -8.951   6.799  -3.217
   40   1HD   PRO  68          1HD       PRO  68  -6.125   6.807  -2.235
   41   2HD   PRO  68          2HD       PRO  68  -7.632   7.078  -1.339
   42    H    GLN  69           HN       GLN  69  -5.159   4.372  -2.584
   43    HA   GLN  69           HA       GLN  69  -4.344   2.136  -4.184
   44   1HB   GLN  69          1HB       GLN  69  -2.958   3.992  -2.272
   45   2HB   GLN  69          2HB       GLN  69  -2.130   2.583  -2.897
   46   1HG   GLN  69          1HG       GLN  69  -1.675   4.712  -4.113
   47   2HG   GLN  69          2HG       GLN  69  -2.242   3.387  -5.116
   48   1HE2  GLN  69          HE21      GLN  69  -4.196   3.554  -6.144
   49   2HE2  GLN  69          HE22      GLN  69  -5.122   5.014  -6.198
   50    H    LEU  70           HN       LEU  70  -4.747   2.740  -0.692
   51    HA   LEU  70           HA       LEU  70  -4.123   0.199   0.267
   52   1HB   LEU  70          1HB       LEU  70  -6.583   1.681   1.181
   53   2HB   LEU  70          2HB       LEU  70  -5.582   0.585   2.112
   54    HG   LEU  70           HG       LEU  70  -4.950   3.378   1.252
   55   1HD1  LEU  70          1HD1      LEU  70  -5.218   2.134   3.975
   56   2HD1  LEU  70          2HD1      LEU  70  -6.406   3.175   3.193
   57   3HD1  LEU  70          3HD1      LEU  70  -4.827   3.821   3.640
   58   1HD2  LEU  70          1HD2      LEU  70  -3.150   1.433   2.682
   59   2HD2  LEU  70          2HD2      LEU  70  -2.798   3.134   2.358
   60   3HD2  LEU  70          3HD2      LEU  70  -2.947   1.993   1.022
   61    H    GLN  71           HN       GLN  71  -7.136   1.436  -1.085
   62    HA   GLN  71           HA       GLN  71  -8.646  -0.903  -0.925
   63   1HB   GLN  71          1HB       GLN  71  -8.822   1.294  -2.999
   64   2HB   GLN  71          2HB       GLN  71 -10.071   0.105  -2.659
   65   1HG   GLN  71          1HG       GLN  71  -9.069   2.209  -0.751
   66   2HG   GLN  71          2HG       GLN  71 -10.583   2.255  -1.649
   67   1HE2  GLN  71          HE21      GLN  71 -12.257   0.880  -1.064
   68   2HE2  GLN  71          HE22      GLN  71 -12.297   0.087   0.473
   69    H    GLN  72           HN       GLN  72  -6.213   0.106  -3.231
   70    HA   GLN  72           HA       GLN  72  -6.794  -1.695  -5.300
   71   1HB   GLN  72          1HB       GLN  72  -4.541  -0.009  -4.455
   72   2HB   GLN  72          2HB       GLN  72  -4.137  -1.329  -5.516
   73   1HG   GLN  72          1HG       GLN  72  -6.108   0.869  -6.063
   74   2HG   GLN  72          2HG       GLN  72  -4.497   0.707  -6.760
   75   1HE2  GLN  72          HE21      GLN  72  -7.776  -0.339  -6.862
   76   2HE2  GLN  72          HE22      GLN  72  -7.638  -1.319  -8.284
   77    H    LEU  73           HN       LEU  73  -4.842  -1.924  -2.394
   78    HA   LEU  73           HA       LEU  73  -3.901  -4.585  -3.087
   79   1HB   LEU  73          1HB       LEU  73  -3.473  -3.030  -0.532
   80   2HB   LEU  73          2HB       LEU  73  -2.596  -4.456  -1.052
   81    HG   LEU  73           HG       LEU  73  -2.447  -1.678  -2.182
   82   1HD1  LEU  73          1HD1      LEU  73  -0.060  -1.953  -1.694
   83   2HD1  LEU  73          2HD1      LEU  73  -0.394  -3.544  -1.012
   84   3HD1  LEU  73          3HD1      LEU  73  -1.061  -2.098  -0.247
   85   1HD2  LEU  73          1HD2      LEU  73  -2.578  -3.211  -4.058
   86   2HD2  LEU  73          2HD2      LEU  73  -1.297  -4.204  -3.358
   87   3HD2  LEU  73          3HD2      LEU  73  -0.945  -2.562  -3.898
   88    H    ARG  74           HN       ARG  74  -6.056  -3.038  -0.758
   89    HA   ARG  74           HA       ARG  74  -6.758  -5.320   0.706
   90   1HB   ARG  74          1HB       ARG  74  -8.347  -2.830   0.076
   91   2HB   ARG  74          2HB       ARG  74  -8.847  -4.044   1.250
   92   1HG   ARG  74          1HG       ARG  74  -7.032  -3.576   2.665
   93   2HG   ARG  74          2HG       ARG  74  -6.190  -2.669   1.413
   94   1HD   ARG  74          1HD       ARG  74  -7.065  -0.818   2.302
   95   2HD   ARG  74          2HD       ARG  74  -8.632  -1.370   1.705
   96    HE   ARG  74           HE       ARG  74  -8.160  -2.628   4.158
   97   1HH1  ARG  74          1HH1      ARG  74  -8.794   0.545   2.861
   98   2HH1  ARG  74          2HH1      ARG  74  -9.435   1.176   4.349
   99   1HH2  ARG  74          1HH2      ARG  74  -9.042  -1.849   6.108
  100   2HH2  ARG  74          2HH2      ARG  74  -9.617  -0.206   6.200
  101    H    ASP  75           HN       ASP  75  -7.720  -4.132  -2.390
  102    HA   ASP  75           HA       ASP  75  -9.929  -5.823  -2.874
  103   1HB   ASP  75          1HB       ASP  75  -9.488  -3.847  -4.236
  104   2HB   ASP  75          2HB       ASP  75  -7.968  -4.536  -4.790
  105    H    MET  76           HN       MET  76  -6.452  -6.317  -3.086
  106    HA   MET  76           HA       MET  76  -6.803  -8.757  -4.636
  107   1HB   MET  76          1HB       MET  76  -4.586  -8.643  -5.179
  108   2HB   MET  76          2HB       MET  76  -4.931  -6.935  -4.927
  109   1HG   MET  76          1HG       MET  76  -4.021  -7.070  -2.688
  110   2HG   MET  76          2HG       MET  76  -3.726  -8.792  -2.918
  111   1HE   MET  76          1HE       MET  76  -0.979  -8.735  -5.747
  112   2HE   MET  76          2HE       MET  76  -2.726  -8.841  -5.963
  113   3HE   MET  76          3HE       MET  76  -1.937  -9.760  -4.679
  114    H    GLY  77           HN       GLY  77  -6.798  -7.837  -1.445
  115   1HA   GLY  77          1HA       GLY  77  -7.437  -9.669   0.066
  116   2HA   GLY  77          2HA       GLY  77  -6.126 -10.596  -0.641
  117    H    ILE  78           HN       ILE  78  -5.263  -7.354  -0.237
  118    HA   ILE  78           HA       ILE  78  -3.560  -8.082   2.010
  119    HB   ILE  78           HB       ILE  78  -3.637  -5.402   0.620
  120   1HG1  ILE  78          1HG1      ILE  78  -3.170  -6.891  -1.158
  121   2HG1  ILE  78          2HG1      ILE  78  -1.599  -6.302  -0.632
  122   1HG2  ILE  78          1HG2      ILE  78  -1.338  -5.211   1.447
  123   2HG2  ILE  78          2HG2      ILE  78  -1.499  -6.779   2.239
  124   3HG2  ILE  78          3HG2      ILE  78  -2.495  -5.420   2.760
  125   1HD1  ILE  78          1HD1      ILE  78  -1.239  -8.374   0.597
  126   2HD1  ILE  78          2HD1      ILE  78  -1.552  -8.678  -1.114
  127   3HD1  ILE  78          3HD1      ILE  78  -2.823  -8.952   0.080
  128    H    GLN  79           HN       GLN  79  -4.351  -7.866   3.988
  129    HA   GLN  79           HA       GLN  79  -6.571  -6.064   4.502
  130   1HB   GLN  79          1HB       GLN  79  -6.624  -8.304   5.464
  131   2HB   GLN  79          2HB       GLN  79  -5.104  -8.009   6.294
  132   1HG   GLN  79          1HG       GLN  79  -6.189  -6.230   7.602
  133   2HG   GLN  79          2HG       GLN  79  -7.717  -6.606   6.802
  134   1HE2  GLN  79          HE21      GLN  79  -7.196  -9.475   6.772
  135   2HE2  GLN  79          HE22      GLN  79  -7.413 -10.017   8.402
  136    H    ASP  80           HN       ASP  80  -3.152  -6.244   5.049
  137    HA   ASP  80           HA       ASP  80  -3.093  -4.342   7.193
  138   1HB   ASP  80          1HB       ASP  80  -0.820  -5.334   5.460
  139   2HB   ASP  80          2HB       ASP  80  -0.659  -4.454   6.974
  140    H    ASP  81           HN       ASP  81  -4.389  -2.727   6.041
  141    HA   ASP  81           HA       ASP  81  -3.337  -1.253   3.864
  142   1HB   ASP  81          1HB       ASP  81  -5.034   0.374   4.314
  143   2HB   ASP  81          2HB       ASP  81  -5.740  -1.205   4.637
  144    H    GLU  82           HN       GLU  82  -2.780  -1.227   7.267
  145    HA   GLU  82           HA       GLU  82  -1.466   1.251   7.546
  146   1HB   GLU  82          1HB       GLU  82  -2.100   0.032   9.504
  147   2HB   GLU  82          2HB       GLU  82  -1.228  -1.397   8.986
  148   1HG   GLU  82          1HG       GLU  82   0.302   1.099   9.508
  149   2HG   GLU  82          2HG       GLU  82  -0.310   0.169  10.874
  150    H    LEU  83           HN       LEU  83  -0.137  -1.980   7.090
  151    HA   LEU  83           HA       LEU  83   2.468  -1.392   6.447
  152   1HB   LEU  83          1HB       LEU  83   1.956  -3.622   6.826
  153   2HB   LEU  83          2HB       LEU  83   0.543  -3.582   5.804
  154    HG   LEU  83           HG       LEU  83   2.491  -5.038   5.074
  155   1HD1  LEU  83          1HD1      LEU  83   1.423  -2.994   3.136
  156   2HD1  LEU  83          2HD1      LEU  83   0.604  -4.471   3.645
  157   3HD1  LEU  83          3HD1      LEU  83   2.108  -4.569   2.726
  158   1HD2  LEU  83          1HD2      LEU  83   4.314  -3.497   5.494
  159   2HD2  LEU  83          2HD2      LEU  83   3.655  -2.361   4.319
  160   3HD2  LEU  83          3HD2      LEU  83   4.262  -3.928   3.784
  161    H    SER  84           HN       SER  84  -0.337  -1.573   4.271
  162    HA   SER  84           HA       SER  84   1.072  -1.084   1.893
  163   1HB   SER  84          1HB       SER  84  -1.089  -2.006   1.687
  164   2HB   SER  84          2HB       SER  84  -1.813  -0.741   2.661
  165    HG   SER  84           HG       SER  84  -0.565  -0.219   0.180
  166    H    LEU  85           HN       LEU  85  -0.799   1.182   3.915
  167    HA   LEU  85           HA       LEU  85  -0.451   3.526   2.501
  168   1HB   LEU  85          1HB       LEU  85  -1.691   2.964   4.738
  169   2HB   LEU  85          2HB       LEU  85  -0.195   3.460   5.487
  170    HG   LEU  85           HG       LEU  85  -1.807   5.262   5.537
  171   1HD1  LEU  85          1HD1      LEU  85  -0.515   7.035   4.436
  172   2HD1  LEU  85          2HD1      LEU  85   0.427   5.795   3.601
  173   3HD1  LEU  85          3HD1      LEU  85   0.499   5.923   5.359
  174   1HD2  LEU  85          1HD2      LEU  85  -1.833   5.030   2.537
  175   2HD2  LEU  85          2HD2      LEU  85  -2.589   6.325   3.466
  176   3HD2  LEU  85          3HD2      LEU  85  -3.163   4.667   3.637
  177    H    ARG  86           HN       ARG  86   1.773   1.956   4.732
  178    HA   ARG  86           HA       ARG  86   3.643   4.123   4.780
  179   1HB   ARG  86          1HB       ARG  86   3.828   1.255   5.696
  180   2HB   ARG  86          2HB       ARG  86   5.134   2.419   5.899
  181   1HG   ARG  86          1HG       ARG  86   3.798   3.781   7.325
  182   2HG   ARG  86          2HG       ARG  86   2.355   2.830   6.972
  183   1HD   ARG  86          1HD       ARG  86   3.278   2.275   9.161
  184   2HD   ARG  86          2HD       ARG  86   3.343   0.897   8.068
  185    HE   ARG  86           HE       ARG  86   5.763   2.477   8.150
  186   1HH1  ARG  86          1HH1      ARG  86   3.981  -0.214   9.538
  187   2HH1  ARG  86          2HH1      ARG  86   5.405  -0.981  10.192
  188   1HH2  ARG  86          1HH2      ARG  86   7.627   1.478   9.013
  189   2HH2  ARG  86          2HH2      ARG  86   7.479  -0.022   9.886
  190    H    ALA  87           HN       ALA  87   3.483   1.002   3.114
  191    HA   ALA  87           HA       ALA  87   5.898   1.204   1.688
  192   1HB   ALA  87          1HB       ALA  87   4.854  -0.426   0.151
  193   2HB   ALA  87          2HB       ALA  87   3.308  -0.167   0.966
  194   3HB   ALA  87          3HB       ALA  87   4.662  -0.872   1.847
  195    H    LEU  88           HN       LEU  88   2.665   2.380   1.090
  196    HA   LEU  88           HA       LEU  88   3.006   3.410  -1.505
  197   1HB   LEU  88          1HB       LEU  88   1.122   3.787   0.752
  198   2HB   LEU  88          2HB       LEU  88   1.145   5.039  -0.473
  199    HG   LEU  88           HG       LEU  88  -0.594   3.259  -0.762
  200   1HD1  LEU  88          1HD1      LEU  88   1.431   3.584  -2.979
  201   2HD1  LEU  88          2HD1      LEU  88   0.119   4.702  -2.601
  202   3HD1  LEU  88          3HD1      LEU  88  -0.246   3.077  -3.183
  203   1HD2  LEU  88          1HD2      LEU  88   1.783   1.561  -1.500
  204   2HD2  LEU  88          2HD2      LEU  88   0.093   1.138  -1.763
  205   3HD2  LEU  88          3HD2      LEU  88   0.712   1.312  -0.122
  206    H    GLN  89           HN       GLN  89   3.072   5.060   1.636
  207    HA   GLN  89           HA       GLN  89   3.810   7.576   0.842
  208   1HB   GLN  89          1HB       GLN  89   3.116   6.756   3.125
  209   2HB   GLN  89          2HB       GLN  89   4.760   6.173   3.337
  210   1HG   GLN  89          1HG       GLN  89   5.620   8.399   3.138
  211   2HG   GLN  89          2HG       GLN  89   4.007   9.015   2.784
  212   1HE2  GLN  89          HE21      GLN  89   6.131   7.782   5.246
  213   2HE2  GLN  89          HE22      GLN  89   5.154   8.246   6.599
  214    H    ALA  90           HN       ALA  90   5.831   4.736   1.370
  215    HA   ALA  90           HA       ALA  90   8.312   6.161   1.208
  216   1HB   ALA  90          1HB       ALA  90   8.110   4.109   2.503
  217   2HB   ALA  90          2HB       ALA  90   9.339   3.944   1.248
  218   3HB   ALA  90          3HB       ALA  90   7.752   3.202   1.034
  219    H    THR  91           HN       THR  91   6.100   5.066  -1.121
  220    HA   THR  91           HA       THR  91   8.182   5.058  -3.209
  221    HB   THR  91           HB       THR  91   6.405   3.877  -4.599
  222    HG1  THR  91           HG1      THR  91   5.245   3.096  -2.155
  223   1HG2  THR  91          1HG2      THR  91   6.853   1.681  -3.556
  224   2HG2  THR  91          2HG2      THR  91   7.494   2.510  -2.137
  225   3HG2  THR  91          3HG2      THR  91   8.304   2.674  -3.694
  226    H    GLY  92           HN       GLY  92   6.116   7.104  -1.865
  227   1HA   GLY  92          1HA       GLY  92   5.346   9.160  -2.583
  228   2HA   GLY  92          2HA       GLY  92   5.972   8.790  -4.182
  229    H    GLY  93           HN       GLY  93   4.044   6.278  -3.131
  230   1HA   GLY  93          1HA       GLY  93   1.661   6.049  -3.228
  231   2HA   GLY  93          2HA       GLY  93   1.604   7.474  -4.253
  232    H    ASP  94           HN       ASP  94   3.461   4.436  -4.416
  233    HA   ASP  94           HA       ASP  94   2.160   3.906  -7.001
  234   1HB   ASP  94          1HB       ASP  94   4.542   4.688  -7.294
  235   2HB   ASP  94          2HB       ASP  94   5.057   3.276  -6.375
  236    H    ILE  95           HN       ILE  95   1.160   2.046  -7.009
  237    HA   ILE  95           HA       ILE  95   1.080   0.412  -4.696
  238    HB   ILE  95           HB       ILE  95  -0.167   0.293  -7.411
  239   1HG1  ILE  95          1HG1      ILE  95  -0.956   1.881  -5.665
  240   2HG1  ILE  95          2HG1      ILE  95  -2.183   0.725  -6.180
  241   1HG2  ILE  95          1HG2      ILE  95   0.213  -2.038  -6.858
  242   2HG2  ILE  95          2HG2      ILE  95  -1.498  -1.647  -6.692
  243   3HG2  ILE  95          3HG2      ILE  95  -0.490  -1.795  -5.254
  244   1HD1  ILE  95          1HD1      ILE  95  -2.217   1.061  -3.775
  245   2HD1  ILE  95          2HD1      ILE  95  -0.525   0.563  -3.678
  246   3HD1  ILE  95          3HD1      ILE  95  -1.759  -0.596  -4.174
  247    H    GLN  96           HN       GLN  96   2.201  -0.261  -8.004
  248    HA   GLN  96           HA       GLN  96   3.061  -2.890  -7.498
  249   1HB   GLN  96          1HB       GLN  96   3.870  -0.876  -9.580
  250   2HB   GLN  96          2HB       GLN  96   4.561  -2.494  -9.531
  251   1HG   GLN  96          1HG       GLN  96   1.629  -1.864  -9.779
  252   2HG   GLN  96          2HG       GLN  96   2.694  -2.301 -11.114
  253   1HE2  GLN  96          HE21      GLN  96   4.176  -4.262  -9.544
  254   2HE2  GLN  96          HE22      GLN  96   3.122  -5.629  -9.350
  255    H    ALA  97           HN       ALA  97   4.854   0.176  -7.298
  256    HA   ALA  97           HA       ALA  97   7.315  -1.070  -6.543
  257   1HB   ALA  97          1HB       ALA  97   8.022   1.195  -5.922
  258   2HB   ALA  97          2HB       ALA  97   6.362   1.761  -6.117
  259   3HB   ALA  97          3HB       ALA  97   7.256   1.163  -7.513
  260    H    ALA  98           HN       ALA  98   4.442  -0.096  -4.826
  261    HA   ALA  98           HA       ALA  98   5.575  -0.057  -2.224
  262   1HB   ALA  98          1HB       ALA  98   2.721  -0.609  -3.041
  263   2HB   ALA  98          2HB       ALA  98   3.407   0.987  -2.739
  264   3HB   ALA  98          3HB       ALA  98   3.278  -0.180  -1.422
  265    H    LEU  99           HN       LEU  99   4.237  -2.525  -4.309
  266    HA   LEU  99           HA       LEU  99   3.977  -4.607  -2.449
  267   1HB   LEU  99          1HB       LEU  99   4.771  -4.929  -5.340
  268   2HB   LEU  99          2HB       LEU  99   3.951  -6.100  -4.328
  269    HG   LEU  99           HG       LEU  99   2.830  -3.545  -5.461
  270   1HD1  LEU  99          1HD1      LEU  99   1.203  -5.056  -6.492
  271   2HD1  LEU  99          2HD1      LEU  99   2.047  -6.435  -5.792
  272   3HD1  LEU  99          3HD1      LEU  99   2.854  -5.423  -6.990
  273   1HD2  LEU  99          1HD2      LEU  99   2.044  -3.698  -3.194
  274   2HD2  LEU  99          2HD2      LEU  99   1.603  -5.393  -3.421
  275   3HD2  LEU  99          3HD2      LEU  99   0.736  -4.131  -4.296
  276    H    GLU 100           HN       GLU 100   6.714  -3.111  -3.757
  277    HA   GLU 100           HA       GLU 100   8.488  -5.383  -3.373
  278   1HB   GLU 100          1HB       GLU 100   9.057  -2.570  -4.344
  279   2HB   GLU 100          2HB       GLU 100  10.193  -3.919  -4.365
  280   1HG   GLU 100          1HG       GLU 100   8.707  -5.115  -5.907
  281   2HG   GLU 100          2HG       GLU 100   7.612  -3.734  -5.900
  282    H    LEU 101           HN       LEU 101   7.972  -2.078  -2.209
  283    HA   LEU 101           HA       LEU 101   9.790  -2.088  -0.086
  284   1HB   LEU 101          1HB       LEU 101   7.328  -0.610  -0.797
  285   2HB   LEU 101          2HB       LEU 101   7.764  -0.585   0.895
  286    HG   LEU 101           HG       LEU 101   8.582   1.371  -0.447
  287   1HD1  LEU 101          1HD1      LEU 101  10.815   1.377   0.550
  288   2HD1  LEU 101          2HD1      LEU 101  10.661  -0.347   0.894
  289   3HD1  LEU 101          3HD1      LEU 101   9.588   0.809   1.682
  290   1HD2  LEU 101          1HD2      LEU 101  10.431  -0.692  -1.636
  291   2HD2  LEU 101          2HD2      LEU 101  10.564   1.055  -1.839
  292   3HD2  LEU 101          3HD2      LEU 101   9.172   0.195  -2.496
  293    H    ILE 102           HN       ILE 102   6.510  -3.318  -0.372
  294    HA   ILE 102           HA       ILE 102   6.168  -4.077   2.318
  295    HB   ILE 102           HB       ILE 102   4.910  -5.217  -0.177
  296   1HG1  ILE 102          1HG1      ILE 102   3.690  -3.380   1.878
  297   2HG1  ILE 102          2HG1      ILE 102   4.519  -2.782   0.443
  298   1HG2  ILE 102          1HG2      ILE 102   3.212  -6.187   1.291
  299   2HG2  ILE 102          2HG2      ILE 102   4.099  -5.620   2.705
  300   3HG2  ILE 102          3HG2      ILE 102   4.808  -6.841   1.648
  301   1HD1  ILE 102          1HD1      ILE 102   2.154  -2.815   0.054
  302   2HD1  ILE 102          2HD1      ILE 102   2.065  -4.515   0.517
  303   3HD1  ILE 102          3HD1      ILE 102   2.926  -4.046  -0.949
  304    H    PHE 103           HN       PHE 103   7.024  -5.979  -0.534
  305    HA   PHE 103           HA       PHE 103   7.343  -8.412   0.844
  306   1HB   PHE 103          1HB       PHE 103   6.941  -8.112  -1.623
  307   2HB   PHE 103          2HB       PHE 103   8.640  -7.680  -1.782
  308    HD1  PHE 103           HD1      PHE 103   6.542 -10.385  -0.297
  309    HD2  PHE 103           HD2      PHE 103  10.100  -9.342  -2.391
  310    HE1  PHE 103           HE1      PHE 103   7.116 -12.770  -0.505
  311    HE2  PHE 103           HE2      PHE 103  10.678 -11.723  -2.601
  312    HZ   PHE 103           HZ       PHE 103   9.185 -13.440  -1.659
  313    H    ALA 104           HN       ALA 104   9.504  -5.736   0.558
  314    HA   ALA 104           HA       ALA 104  11.787  -7.423   1.301
  315   1HB   ALA 104          1HB       ALA 104  12.109  -5.865  -0.576
  316   2HB   ALA 104          2HB       ALA 104  13.195  -5.525   0.771
  317   3HB   ALA 104          3HB       ALA 104  11.774  -4.514   0.507
  318    H    GLY 105           HN       GLY 105   9.369  -5.859   2.771
  319   1HA   GLY 105          1HA       GLY 105   8.977  -5.133   4.892
  320   2HA   GLY 105          2HA       GLY 105  10.495  -5.898   5.349
  321    H    GLY 106           HN       GLY 106   9.940  -3.259   3.065
  322   1HA   GLY 106          1HA       GLY 106  10.339  -0.929   3.768
  323   2HA   GLY 106          2HA       GLY 106  11.633  -1.554   4.783
  324    H    ALA 107           HN       ALA 107  13.033  -0.065   3.669
  325    HA   ALA 107           HA       ALA 107  13.507  -0.511   0.850
  326   1HB   ALA 107          1HB       ALA 107  13.566   1.764   1.736
  327   2HB   ALA 107          2HB       ALA 107  15.121   1.308   1.041
  328   3HB   ALA 107          3HB       ALA 107  14.907   1.323   2.792
  329    HA   PRO 108           HA       PRO 108  16.589  -3.678   1.356
  330   1HB   PRO 108          1HB       PRO 108  17.633  -2.453  -1.149
  331   2HB   PRO 108          2HB       PRO 108  17.238  -4.138  -0.800
  332   1HG   PRO 108          1HG       PRO 108  15.627  -2.668  -2.312
  333   2HG   PRO 108          2HG       PRO 108  14.965  -3.816  -1.132
  334   1HD   PRO 108          1HD       PRO 108  15.184  -0.841  -0.968
  335   2HD   PRO 108          2HD       PRO 108  13.880  -1.908  -0.410
  Start of MODEL    4
    1    H    GLY  63           HT1      GLY  63 -10.342  12.280  -1.306
    2   1HA   GLY  63          1HA       GLY  63 -10.842  12.026   1.072
    3   2HA   GLY  63          2HA       GLY  63 -10.752  10.284   0.850
    4    H    SER  64           HN       SER  64  -8.844   9.389   1.306
    5    HA   SER  64           HA       SER  64  -6.522  11.076   1.651
    6   1HB   SER  64          1HB       SER  64  -6.877   9.321   3.291
    7   2HB   SER  64          2HB       SER  64  -6.922   8.097   2.026
    8    HG   SER  64           HG       SER  64  -4.780   9.231   3.284
    9    H    GLN  65           HN       GLN  65  -4.416  10.465   0.600
   10    HA   GLN  65           HA       GLN  65  -4.798  10.384  -2.217
   11   1HB   GLN  65          1HB       GLN  65  -2.264  10.061  -0.597
   12   2HB   GLN  65          2HB       GLN  65  -2.335  10.344  -2.329
   13   1HG   GLN  65          1HG       GLN  65  -3.306  12.522  -1.969
   14   2HG   GLN  65          2HG       GLN  65  -3.357  12.235  -0.230
   15   1HE2  GLN  65          HE21      GLN  65  -2.059  13.973   0.246
   16   2HE2  GLN  65          HE22      GLN  65  -0.364  14.006  -0.108
   17    H    TRP  66           HN       TRP  66  -3.497   8.172   0.178
   18    HA   TRP  66           HA       TRP  66  -2.960   6.172  -1.857
   19   1HB   TRP  66          1HB       TRP  66  -2.397   5.978   1.096
   20   2HB   TRP  66          2HB       TRP  66  -1.616   5.103  -0.226
   21    HD1  TRP  66           HD1      TRP  66  -0.227   6.760  -1.972
   22    HE1  TRP  66           HE1      TRP  66   1.310   8.760  -1.415
   23    HE3  TRP  66           HE3      TRP  66  -1.956   7.785   2.705
   24    HZ2  TRP  66           HZ2      TRP  66   1.717  10.534   0.749
   25    HZ3  TRP  66           HZ3      TRP  66  -0.954   9.650   3.957
   26    HH2  TRP  66           HH2      TRP  66   0.845  10.994   2.996
   27    H    GLN  67           HN       GLN  67  -5.581   6.974  -0.106
   28    HA   GLN  67           HA       GLN  67  -6.318   4.481   1.006
   29   1HB   GLN  67          1HB       GLN  67  -7.264   6.901   1.396
   30   2HB   GLN  67          2HB       GLN  67  -8.397   6.424   0.138
   31   1HG   GLN  67          1HG       GLN  67  -9.176   4.586   1.426
   32   2HG   GLN  67          2HG       GLN  67  -7.900   4.813   2.625
   33   1HE2  GLN  67          HE21      GLN  67  -9.340   5.099   4.334
   34   2HE2  GLN  67          HE22      GLN  67 -10.322   6.521   4.490
   35    HA   PRO  68           HA       PRO  68  -8.610   3.805  -3.299
   36   1HB   PRO  68          1HB       PRO  68  -6.718   5.393  -4.956
   37   2HB   PRO  68          2HB       PRO  68  -8.459   5.162  -5.149
   38   1HG   PRO  68          1HG       PRO  68  -7.515   7.471  -4.245
   39   2HG   PRO  68          2HG       PRO  68  -8.983   6.761  -3.544
   40   1HD   PRO  68          1HD       PRO  68  -6.184   6.763  -2.474
   41   2HD   PRO  68          2HD       PRO  68  -7.711   7.040  -1.616
   42    H    GLN  69           HN       GLN  69  -5.175   4.371  -2.801
   43    HA   GLN  69           HA       GLN  69  -4.291   2.151  -4.359
   44   1HB   GLN  69          1HB       GLN  69  -2.961   3.858  -2.274
   45   2HB   GLN  69          2HB       GLN  69  -2.179   2.427  -2.893
   46   1HG   GLN  69          1HG       GLN  69  -1.354   4.321  -4.070
   47   2HG   GLN  69          2HG       GLN  69  -2.327   3.348  -5.161
   48   1HE2  GLN  69          HE21      GLN  69  -4.237   4.180  -5.976
   49   2HE2  GLN  69          HE22      GLN  69  -4.663   5.856  -5.809
   50    H    LEU  70           HN       LEU  70  -4.701   2.677  -0.851
   51    HA   LEU  70           HA       LEU  70  -4.272   0.149   0.149
   52   1HB   LEU  70          1HB       LEU  70  -6.742   1.728   0.874
   53   2HB   LEU  70          2HB       LEU  70  -5.883   0.593   1.886
   54    HG   LEU  70           HG       LEU  70  -5.094   3.359   1.112
   55   1HD1  LEU  70          1HD1      LEU  70  -5.586   2.037   3.763
   56   2HD1  LEU  70          2HD1      LEU  70  -6.625   3.212   2.958
   57   3HD1  LEU  70          3HD1      LEU  70  -5.034   3.697   3.544
   58   1HD2  LEU  70          1HD2      LEU  70  -3.401   1.326   2.549
   59   2HD2  LEU  70          2HD2      LEU  70  -3.011   3.037   2.350
   60   3HD2  LEU  70          3HD2      LEU  70  -3.099   1.982   0.940
   61    H    GLN  71           HN       GLN  71  -7.207   1.402  -1.326
   62    HA   GLN  71           HA       GLN  71  -8.880  -0.771  -1.151
   63   1HB   GLN  71          1HB       GLN  71  -9.589   1.433  -1.881
   64   2HB   GLN  71          2HB       GLN  71  -8.646   1.282  -3.354
   65   1HG   GLN  71          1HG       GLN  71 -10.111  -0.702  -3.914
   66   2HG   GLN  71          2HG       GLN  71 -11.135  -0.183  -2.575
   67   1HE2  GLN  71          HE21      GLN  71  -9.383   2.013  -4.646
   68   2HE2  GLN  71          HE22      GLN  71 -10.773   2.713  -5.405
   69    H    GLN  72           HN       GLN  72  -6.177  -0.309  -3.301
   70    HA   GLN  72           HA       GLN  72  -6.928  -2.236  -5.240
   71   1HB   GLN  72          1HB       GLN  72  -5.461  -0.513  -5.931
   72   2HB   GLN  72          2HB       GLN  72  -4.436  -0.750  -4.530
   73   1HG   GLN  72          1HG       GLN  72  -3.352  -1.548  -6.515
   74   2HG   GLN  72          2HG       GLN  72  -3.702  -2.848  -5.382
   75   1HE2  GLN  72          HE21      GLN  72  -6.200  -1.458  -7.362
   76   2HE2  GLN  72          HE22      GLN  72  -6.400  -2.820  -8.414
   77    H    LEU  73           HN       LEU  73  -4.752  -2.155  -2.457
   78    HA   LEU  73           HA       LEU  73  -3.928  -4.878  -2.796
   79   1HB   LEU  73          1HB       LEU  73  -3.687  -3.174  -0.315
   80   2HB   LEU  73          2HB       LEU  73  -2.765  -4.614  -0.695
   81    HG   LEU  73           HG       LEU  73  -2.538  -1.889  -1.945
   82   1HD1  LEU  73          1HD1      LEU  73  -0.189  -2.139  -1.270
   83   2HD1  LEU  73          2HD1      LEU  73  -0.586  -3.689  -0.527
   84   3HD1  LEU  73          3HD1      LEU  73  -1.298  -2.200   0.100
   85   1HD2  LEU  73          1HD2      LEU  73  -1.334  -4.476  -2.902
   86   2HD2  LEU  73          2HD2      LEU  73  -0.873  -2.870  -3.465
   87   3HD2  LEU  73          3HD2      LEU  73  -2.503  -3.473  -3.761
   88    H    ARG  74           HN       ARG  74  -6.184  -3.148  -0.694
   89    HA   ARG  74           HA       ARG  74  -7.084  -5.275   0.857
   90   1HB   ARG  74          1HB       ARG  74  -8.599  -2.875  -0.184
   91   2HB   ARG  74          2HB       ARG  74  -9.178  -3.943   1.089
   92   1HG   ARG  74          1HG       ARG  74  -7.636  -3.184   2.619
   93   2HG   ARG  74          2HG       ARG  74  -6.517  -2.635   1.371
   94   1HD   ARG  74          1HD       ARG  74  -7.505  -0.695   2.409
   95   2HD   ARG  74          2HD       ARG  74  -8.130  -0.862   0.772
   96    HE   ARG  74           HE       ARG  74 -10.124  -1.968   1.891
   97   1HH1  ARG  74          1HH1      ARG  74  -8.147   0.377   3.577
   98   2HH1  ARG  74          2HH1      ARG  74  -9.497   1.076   4.436
   99   1HH2  ARG  74          1HH2      ARG  74 -11.879  -1.108   3.060
  100   2HH2  ARG  74          2HH2      ARG  74 -11.611   0.207   4.163
  101    H    ASP  75           HN       ASP  75  -7.956  -4.247  -2.379
  102    HA   ASP  75           HA       ASP  75 -10.057  -6.090  -2.816
  103   1HB   ASP  75          1HB       ASP  75  -9.734  -4.103  -4.225
  104   2HB   ASP  75          2HB       ASP  75  -8.208  -4.754  -4.809
  105    H    MET  76           HN       MET  76  -6.545  -6.323  -3.097
  106    HA   MET  76           HA       MET  76  -6.776  -8.868  -4.485
  107   1HB   MET  76          1HB       MET  76  -4.562  -8.685  -5.044
  108   2HB   MET  76          2HB       MET  76  -5.034  -6.993  -4.960
  109   1HG   MET  76          1HG       MET  76  -4.039  -6.752  -2.825
  110   2HG   MET  76          2HG       MET  76  -3.757  -8.487  -2.722
  111   1HE   MET  76          1HE       MET  76  -2.862  -5.221  -4.765
  112   2HE   MET  76          2HE       MET  76  -3.313  -6.403  -5.992
  113   3HE   MET  76          3HE       MET  76  -1.643  -5.850  -5.873
  114    H    GLY  77           HN       GLY  77  -7.132  -7.975  -1.419
  115   1HA   GLY  77          1HA       GLY  77  -7.626  -9.753   0.120
  116   2HA   GLY  77          2HA       GLY  77  -6.272 -10.648  -0.538
  117    H    ILE  78           HN       ILE  78  -5.332  -7.484  -0.214
  118    HA   ILE  78           HA       ILE  78  -3.806  -8.198   2.186
  119    HB   ILE  78           HB       ILE  78  -3.306  -5.742   0.517
  120   1HG1  ILE  78          1HG1      ILE  78  -3.165  -7.388  -1.155
  121   2HG1  ILE  78          2HG1      ILE  78  -1.505  -7.179  -0.613
  122   1HG2  ILE  78          1HG2      ILE  78  -1.505  -7.446   2.230
  123   2HG2  ILE  78          2HG2      ILE  78  -2.197  -5.887   2.683
  124   3HG2  ILE  78          3HG2      ILE  78  -1.029  -5.985   1.364
  125   1HD1  ILE  78          1HD1      ILE  78  -3.376  -9.395   0.159
  126   2HD1  ILE  78          2HD1      ILE  78  -1.735  -9.192   0.774
  127   3HD1  ILE  78          3HD1      ILE  78  -2.002  -9.512  -0.943
  128    H    GLN  79           HN       GLN  79  -4.939  -7.672   3.954
  129    HA   GLN  79           HA       GLN  79  -6.412  -5.136   3.995
  130   1HB   GLN  79          1HB       GLN  79  -7.405  -7.360   4.814
  131   2HB   GLN  79          2HB       GLN  79  -6.369  -7.152   6.223
  132   1HG   GLN  79          1HG       GLN  79  -8.465  -6.271   6.819
  133   2HG   GLN  79          2HG       GLN  79  -7.417  -4.876   6.516
  134   1HE2  GLN  79          HE21      GLN  79  -9.154  -3.519   6.080
  135   2HE2  GLN  79          HE22      GLN  79 -10.081  -3.641   4.628
  136    H    ASP  80           HN       ASP  80  -3.386  -5.625   4.259
  137    HA   ASP  80           HA       ASP  80  -2.889  -4.541   6.904
  138   1HB   ASP  80          1HB       ASP  80  -0.912  -5.113   4.681
  139   2HB   ASP  80          2HB       ASP  80  -0.532  -4.776   6.367
  140    H    ASP  81           HN       ASP  81  -4.314  -2.707   6.162
  141    HA   ASP  81           HA       ASP  81  -3.577  -0.784   4.294
  142   1HB   ASP  81          1HB       ASP  81  -5.017  -0.435   6.931
  143   2HB   ASP  81          2HB       ASP  81  -4.853   0.842   5.736
  144    H    GLU  82           HN       GLU  82  -2.643  -1.125   7.682
  145    HA   GLU  82           HA       GLU  82  -1.172   1.259   7.964
  146   1HB   GLU  82          1HB       GLU  82  -1.417  -1.274   9.384
  147   2HB   GLU  82          2HB       GLU  82   0.223  -0.641   9.453
  148   1HG   GLU  82          1HG       GLU  82  -2.196   0.989  10.168
  149   2HG   GLU  82          2HG       GLU  82  -1.306   0.014  11.337
  150    H    LEU  83           HN       LEU  83  -0.016  -1.983   7.270
  151    HA   LEU  83           HA       LEU  83   2.594  -1.551   6.575
  152   1HB   LEU  83          1HB       LEU  83   1.758  -3.743   6.822
  153   2HB   LEU  83          2HB       LEU  83   0.472  -3.459   5.680
  154    HG   LEU  83           HG       LEU  83   2.401  -5.043   5.051
  155   1HD1  LEU  83          1HD1      LEU  83   0.638  -4.404   3.537
  156   2HD1  LEU  83          2HD1      LEU  83   2.186  -4.388   2.687
  157   3HD1  LEU  83          3HD1      LEU  83   1.441  -2.870   3.196
  158   1HD2  LEU  83          1HD2      LEU  83   4.289  -3.985   3.926
  159   2HD2  LEU  83          2HD2      LEU  83   4.248  -3.559   5.638
  160   3HD2  LEU  83          3HD2      LEU  83   3.707  -2.397   4.427
  161    H    SER  84           HN       SER  84  -0.236  -1.456   4.414
  162    HA   SER  84           HA       SER  84   1.194  -0.926   2.061
  163   1HB   SER  84          1HB       SER  84  -1.020  -1.796   1.907
  164   2HB   SER  84          2HB       SER  84  -1.682  -0.451   2.821
  165    HG   SER  84           HG       SER  84  -0.326   0.376   0.612
  166    H    LEU  85           HN       LEU  85  -0.512   1.280   4.266
  167    HA   LEU  85           HA       LEU  85  -0.165   3.649   2.837
  168   1HB   LEU  85          1HB       LEU  85  -1.400   2.995   5.117
  169   2HB   LEU  85          2HB       LEU  85   0.054   3.676   5.808
  170    HG   LEU  85           HG       LEU  85  -1.780   5.300   5.724
  171   1HD1  LEU  85          1HD1      LEU  85   0.484   6.138   5.651
  172   2HD1  LEU  85          2HD1      LEU  85  -0.561   7.131   4.635
  173   3HD1  LEU  85          3HD1      LEU  85   0.522   5.950   3.898
  174   1HD2  LEU  85          1HD2      LEU  85  -2.911   4.452   3.737
  175   2HD2  LEU  85          2HD2      LEU  85  -1.570   5.001   2.733
  176   3HD2  LEU  85          3HD2      LEU  85  -2.567   6.174   3.592
  177    H    ARG  86           HN       ARG  86   2.013   1.940   4.999
  178    HA   ARG  86           HA       ARG  86   3.973   3.998   5.231
  179   1HB   ARG  86          1HB       ARG  86   4.315   1.009   5.532
  180   2HB   ARG  86          2HB       ARG  86   5.436   2.236   6.104
  181   1HG   ARG  86          1HG       ARG  86   3.831   3.020   7.716
  182   2HG   ARG  86          2HG       ARG  86   2.599   1.931   7.069
  183   1HD   ARG  86          1HD       ARG  86   4.151   0.028   7.644
  184   2HD   ARG  86          2HD       ARG  86   5.136   1.202   8.516
  185    HE   ARG  86           HE       ARG  86   2.604   1.523   9.508
  186   1HH1  ARG  86          1HH1      ARG  86   4.866  -1.136   9.240
  187   2HH1  ARG  86          2HH1      ARG  86   4.273  -1.948  10.664
  188   1HH2  ARG  86          1HH2      ARG  86   1.805   0.456  11.354
  189   2HH2  ARG  86          2HH2      ARG  86   2.542  -1.039  11.873
  190    H    ALA  87           HN       ALA  87   3.746   1.052   3.285
  191    HA   ALA  87           HA       ALA  87   6.065   1.357   1.759
  192   1HB   ALA  87          1HB       ALA  87   4.915  -0.159   0.165
  193   2HB   ALA  87          2HB       ALA  87   3.427   0.043   1.099
  194   3HB   ALA  87          3HB       ALA  87   4.838  -0.716   1.836
  195    H    LEU  88           HN       LEU  88   2.806   2.569   1.328
  196    HA   LEU  88           HA       LEU  88   3.051   3.609  -1.265
  197   1HB   LEU  88          1HB       LEU  88   1.226   3.963   1.039
  198   2HB   LEU  88          2HB       LEU  88   1.196   5.218  -0.182
  199    HG   LEU  88           HG       LEU  88  -0.501   3.339  -0.385
  200   1HD1  LEU  88          1HD1      LEU  88  -0.323   3.343  -2.833
  201   2HD1  LEU  88          2HD1      LEU  88   1.331   3.944  -2.711
  202   3HD1  LEU  88          3HD1      LEU  88  -0.014   4.946  -2.164
  203   1HD2  LEU  88          1HD2      LEU  88   0.970   1.453   0.037
  204   2HD2  LEU  88          2HD2      LEU  88   1.932   1.861  -1.384
  205   3HD2  LEU  88          3HD2      LEU  88   0.259   1.332  -1.575
  206    H    GLN  89           HN       GLN  89   3.331   5.289   1.874
  207    HA   GLN  89           HA       GLN  89   4.039   7.791   0.873
  208   1HB   GLN  89          1HB       GLN  89   4.768   6.453   3.478
  209   2HB   GLN  89          2HB       GLN  89   5.090   8.142   3.128
  210   1HG   GLN  89          1HG       GLN  89   2.692   8.532   2.833
  211   2HG   GLN  89          2HG       GLN  89   2.383   6.840   3.222
  212   1HE2  GLN  89          HE21      GLN  89   4.496   6.775   5.256
  213   2HE2  GLN  89          HE22      GLN  89   3.862   7.632   6.622
  214    H    ALA  90           HN       ALA  90   5.980   4.942   1.465
  215    HA   ALA  90           HA       ALA  90   8.510   6.209   1.223
  216   1HB   ALA  90          1HB       ALA  90   9.410   3.955   1.070
  217   2HB   ALA  90          2HB       ALA  90   7.787   3.310   0.828
  218   3HB   ALA  90          3HB       ALA  90   8.215   4.065   2.363
  219    H    THR  91           HN       THR  91   6.355   4.611  -1.077
  220    HA   THR  91           HA       THR  91   8.301   4.854  -3.213
  221    HB   THR  91           HB       THR  91   6.558   3.787  -4.616
  222    HG1  THR  91           HG1      THR  91   4.686   2.966  -3.434
  223   1HG2  THR  91          1HG2      THR  91   8.162   2.406  -3.401
  224   2HG2  THR  91          2HG2      THR  91   6.591   1.610  -3.476
  225   3HG2  THR  91          3HG2      THR  91   7.109   2.403  -1.988
  226    H    GLY  92           HN       GLY  92   5.908   6.778  -1.840
  227   1HA   GLY  92          1HA       GLY  92   5.422   8.985  -2.432
  228   2HA   GLY  92          2HA       GLY  92   6.172   8.707  -3.997
  229    H    GLY  93           HN       GLY  93   3.808   6.511  -2.733
  230   1HA   GLY  93          1HA       GLY  93   1.516   6.349  -3.176
  231   2HA   GLY  93          2HA       GLY  93   1.642   7.752  -4.229
  232    H    ASP  94           HN       ASP  94   3.317   4.600  -4.203
  233    HA   ASP  94           HA       ASP  94   2.045   4.004  -6.775
  234   1HB   ASP  94          1HB       ASP  94   4.401   4.850  -7.125
  235   2HB   ASP  94          2HB       ASP  94   4.965   3.456  -6.211
  236    H    ILE  95           HN       ILE  95   1.142   2.096  -6.780
  237    HA   ILE  95           HA       ILE  95   1.223   0.432  -4.459
  238    HB   ILE  95           HB       ILE  95  -0.199   0.319  -7.095
  239   1HG1  ILE  95          1HG1      ILE  95  -0.954   1.789  -5.209
  240   2HG1  ILE  95          2HG1      ILE  95  -2.150   0.622  -5.761
  241   1HG2  ILE  95          1HG2      ILE  95   0.349  -1.992  -6.666
  242   2HG2  ILE  95          2HG2      ILE  95  -1.362  -1.728  -6.332
  243   3HG2  ILE  95          3HG2      ILE  95  -0.213  -1.852  -4.999
  244   1HD1  ILE  95          1HD1      ILE  95  -1.579  -0.823  -3.868
  245   2HD1  ILE  95          2HD1      ILE  95  -2.142   0.768  -3.351
  246   3HD1  ILE  95          3HD1      ILE  95  -0.419   0.388  -3.316
  247    H    GLN  96           HN       GLN  96   2.142  -0.067  -7.845
  248    HA   GLN  96           HA       GLN  96   2.990  -2.722  -7.537
  249   1HB   GLN  96          1HB       GLN  96   3.741  -0.627  -9.566
  250   2HB   GLN  96          2HB       GLN  96   4.247  -2.309  -9.679
  251   1HG   GLN  96          1HG       GLN  96   1.400  -1.337  -9.614
  252   2HG   GLN  96          2HG       GLN  96   2.283  -1.836 -11.057
  253   1HE2  GLN  96          HE21      GLN  96  -0.173  -2.896  -9.866
  254   2HE2  GLN  96          HE22      GLN  96   0.134  -4.579  -9.582
  255    H    ALA  97           HN       ALA  97   4.710   0.320  -7.143
  256    HA   ALA  97           HA       ALA  97   7.267  -0.896  -6.676
  257   1HB   ALA  97          1HB       ALA  97   7.938   1.331  -5.921
  258   2HB   ALA  97          2HB       ALA  97   6.248   1.851  -5.920
  259   3HB   ALA  97          3HB       ALA  97   7.043   1.425  -7.438
  260    H    ALA  98           HN       ALA  98   4.490  -0.079  -4.728
  261    HA   ALA  98           HA       ALA  98   5.833  -0.233  -2.206
  262   1HB   ALA  98          1HB       ALA  98   2.888  -0.431  -2.861
  263   2HB   ALA  98          2HB       ALA  98   3.765   1.045  -2.455
  264   3HB   ALA  98          3HB       ALA  98   3.573  -0.228  -1.249
  265    H    LEU  99           HN       LEU  99   4.135  -2.456  -4.320
  266    HA   LEU  99           HA       LEU  99   3.862  -4.643  -2.580
  267   1HB   LEU  99          1HB       LEU  99   4.468  -4.794  -5.535
  268   2HB   LEU  99          2HB       LEU  99   3.664  -6.007  -4.560
  269    HG   LEU  99           HG       LEU  99   2.591  -3.334  -5.425
  270   1HD1  LEU  99          1HD1      LEU  99   1.637  -6.150  -5.892
  271   2HD1  LEU  99          2HD1      LEU  99   2.423  -5.102  -7.074
  272   3HD1  LEU  99          3HD1      LEU  99   0.832  -4.683  -6.443
  273   1HD2  LEU  99          1HD2      LEU  99   1.432  -5.272  -3.433
  274   2HD2  LEU  99          2HD2      LEU  99   0.568  -3.909  -4.145
  275   3HD2  LEU  99          3HD2      LEU  99   1.976  -3.620  -3.123
  276    H    GLU 100           HN       GLU 100   6.595  -3.189  -3.881
  277    HA   GLU 100           HA       GLU 100   8.277  -5.565  -3.661
  278   1HB   GLU 100          1HB       GLU 100   8.890  -2.784  -4.696
  279   2HB   GLU 100          2HB       GLU 100  10.011  -4.146  -4.708
  280   1HG   GLU 100          1HG       GLU 100   8.388  -5.370  -6.149
  281   2HG   GLU 100          2HG       GLU 100   7.432  -3.891  -6.234
  282    H    LEU 101           HN       LEU 101   7.815  -2.313  -2.440
  283    HA   LEU 101           HA       LEU 101   9.782  -2.245  -0.456
  284   1HB   LEU 101          1HB       LEU 101   7.733  -0.611  -1.318
  285   2HB   LEU 101          2HB       LEU 101   7.201  -1.066   0.288
  286    HG   LEU 101           HG       LEU 101   8.430   1.058   0.282
  287   1HD1  LEU 101          1HD1      LEU 101   8.474  -0.335   2.282
  288   2HD1  LEU 101          2HD1      LEU 101   9.992   0.542   2.081
  289   3HD1  LEU 101          3HD1      LEU 101   9.903  -1.173   1.675
  290   1HD2  LEU 101          1HD2      LEU 101   9.892   0.642  -1.597
  291   2HD2  LEU 101          2HD2      LEU 101  10.722  -0.632  -0.704
  292   3HD2  LEU 101          3HD2      LEU 101  10.849   1.047  -0.168
  293    H    ILE 102           HN       ILE 102   6.439  -3.364  -0.395
  294    HA   ILE 102           HA       ILE 102   6.367  -4.272   2.249
  295    HB   ILE 102           HB       ILE 102   4.806  -5.266  -0.135
  296   1HG1  ILE 102          1HG1      ILE 102   3.815  -3.378   1.984
  297   2HG1  ILE 102          2HG1      ILE 102   4.689  -2.779   0.576
  298   1HG2  ILE 102          1HG2      ILE 102   4.215  -5.581   2.808
  299   2HG2  ILE 102          2HG2      ILE 102   4.764  -6.860   1.724
  300   3HG2  ILE 102          3HG2      ILE 102   3.186  -6.111   1.476
  301   1HD1  ILE 102          1HD1      ILE 102   2.302  -2.642   0.221
  302   2HD1  ILE 102          2HD1      ILE 102   2.135  -4.368   0.545
  303   3HD1  ILE 102          3HD1      ILE 102   3.020  -3.821  -0.879
  304    H    PHE 103           HN       PHE 103   7.064  -5.914  -0.783
  305    HA   PHE 103           HA       PHE 103   7.427  -8.494   0.202
  306   1HB   PHE 103          1HB       PHE 103   7.259  -7.970  -2.196
  307   2HB   PHE 103          2HB       PHE 103   8.833  -7.184  -2.138
  308    HD1  PHE 103           HD1      PHE 103   7.197 -10.461  -1.477
  309    HD2  PHE 103           HD2      PHE 103  10.727  -8.397  -2.652
  310    HE1  PHE 103           HE1      PHE 103   8.276 -12.611  -1.997
  311    HE2  PHE 103           HE2      PHE 103  11.809 -10.539  -3.174
  312    HZ   PHE 103           HZ       PHE 103  10.596 -12.652  -2.825
  313    H    ALA 104           HN       ALA 104  10.066  -6.201  -0.626
  314    HA   ALA 104           HA       ALA 104  11.570  -7.028   1.695
  315   1HB   ALA 104          1HB       ALA 104  11.998  -8.889   0.147
  316   2HB   ALA 104          2HB       ALA 104  13.458  -7.969   0.509
  317   3HB   ALA 104          3HB       ALA 104  12.631  -7.743  -1.032
  318    H    GLY 105           HN       GLY 105  10.594  -4.539   0.781
  319   1HA   GLY 105          1HA       GLY 105  12.930  -3.120  -0.242
  320   2HA   GLY 105          2HA       GLY 105  11.346  -2.424   0.084
  321    H    GLY 106           HN       GLY 106  11.361  -3.818   2.748
  322   1HA   GLY 106          1HA       GLY 106  11.908  -3.323   4.920
  323   2HA   GLY 106          2HA       GLY 106  13.459  -2.745   4.324
  324    H    ALA 107           HN       ALA 107  13.845  -0.628   4.284
  325    HA   ALA 107           HA       ALA 107  11.663   1.283   4.174
  326   1HB   ALA 107          1HB       ALA 107  13.604   1.326   6.486
  327   2HB   ALA 107          2HB       ALA 107  11.921   0.812   6.585
  328   3HB   ALA 107          3HB       ALA 107  12.308   2.482   6.175
  329    HA   PRO 108           HA       PRO 108  14.962   3.219   1.854
  330   1HB   PRO 108          1HB       PRO 108  13.037   5.242   1.113
  331   2HB   PRO 108          2HB       PRO 108  13.728   3.966   0.111
  332   1HG   PRO 108          1HG       PRO 108  11.099   4.050   0.870
  333   2HG   PRO 108          2HG       PRO 108  11.966   2.555   0.474
  334   1HD   PRO 108          1HD       PRO 108  11.328   3.728   3.156
  335   2HD   PRO 108          2HD       PRO 108  11.275   2.032   2.624
  Start of MODEL    5
    1    H    GLY  63           HT1      GLY  63 -10.553  10.830  -0.529
    2   1HA   GLY  63          1HA       GLY  63 -10.021  13.555   0.509
    3   2HA   GLY  63          2HA       GLY  63 -10.535  12.191   1.491
    4    H    SER  64           HN       SER  64  -9.108  10.357   1.666
    5    HA   SER  64           HA       SER  64  -6.359  11.194   1.874
    6   1HB   SER  64          1HB       SER  64  -7.590   8.472   2.360
    7   2HB   SER  64          2HB       SER  64  -6.001   9.013   2.901
    8    HG   SER  64           HG       SER  64  -7.657  10.818   3.792
    9    H    GLN  65           HN       GLN  65  -4.664  10.585   0.560
   10    HA   GLN  65           HA       GLN  65  -5.515  10.082  -2.126
   11   1HB   GLN  65          1HB       GLN  65  -2.775  10.584  -0.969
   12   2HB   GLN  65          2HB       GLN  65  -3.126  10.461  -2.687
   13   1HG   GLN  65          1HG       GLN  65  -4.617  12.396  -2.507
   14   2HG   GLN  65          2HG       GLN  65  -4.214  12.527  -0.796
   15   1HE2  GLN  65          HE21      GLN  65  -3.069  12.896  -4.053
   16   2HE2  GLN  65          HE22      GLN  65  -1.657  13.833  -3.666
   17    H    TRP  66           HN       TRP  66  -3.699   8.355   0.330
   18    HA   TRP  66           HA       TRP  66  -3.027   6.275  -1.574
   19   1HB   TRP  66          1HB       TRP  66  -2.447   6.316   1.387
   20   2HB   TRP  66          2HB       TRP  66  -1.699   5.292   0.157
   21    HD1  TRP  66           HD1      TRP  66  -0.425   6.848  -1.854
   22    HE1  TRP  66           HE1      TRP  66   1.194   8.819  -1.497
   23    HE3  TRP  66           HE3      TRP  66  -1.770   8.114   2.893
   24    HZ2  TRP  66           HZ2      TRP  66   1.819  10.664   0.552
   25    HZ3  TRP  66           HZ3      TRP  66  -0.620   9.995   3.989
   26    HH2  TRP  66           HH2      TRP  66   1.137  11.242   2.841
   27    H    GLN  67           HN       GLN  67  -5.695   6.991   0.197
   28    HA   GLN  67           HA       GLN  67  -6.289   4.412   1.246
   29   1HB   GLN  67          1HB       GLN  67  -7.298   6.643   1.969
   30   2HB   GLN  67          2HB       GLN  67  -8.355   6.483   0.570
   31   1HG   GLN  67          1HG       GLN  67  -9.158   4.339   1.431
   32   2HG   GLN  67          2HG       GLN  67  -8.114   4.524   2.841
   33   1HE2  GLN  67          HE21      GLN  67  -8.632   6.067   4.396
   34   2HE2  GLN  67          HE22      GLN  67 -10.196   6.801   4.488
   35    HA   PRO  68           HA       PRO  68  -8.759   3.928  -2.972
   36   1HB   PRO  68          1HB       PRO  68  -7.053   5.723  -4.624
   37   2HB   PRO  68          2HB       PRO  68  -8.797   5.436  -4.711
   38   1HG   PRO  68          1HG       PRO  68  -7.888   7.713  -3.688
   39   2HG   PRO  68          2HG       PRO  68  -9.250   6.871  -2.921
   40   1HD   PRO  68          1HD       PRO  68  -6.349   6.888  -2.142
   41   2HD   PRO  68          2HD       PRO  68  -7.786   7.089  -1.118
   42    H    GLN  69           HN       GLN  69  -5.349   4.639  -2.620
   43    HA   GLN  69           HA       GLN  69  -4.400   2.570  -4.327
   44   1HB   GLN  69          1HB       GLN  69  -3.179   4.318  -2.234
   45   2HB   GLN  69          2HB       GLN  69  -2.321   2.873  -2.699
   46   1HG   GLN  69          1HG       GLN  69  -1.719   5.024  -3.891
   47   2HG   GLN  69          2HG       GLN  69  -2.001   3.600  -4.876
   48   1HE2  GLN  69          HE21      GLN  69  -3.076   6.756  -4.027
   49   2HE2  GLN  69          HE22      GLN  69  -4.313   6.906  -5.233
   50    H    LEU  70           HN       LEU  70  -4.844   2.802  -0.787
   51    HA   LEU  70           HA       LEU  70  -4.242   0.240   0.006
   52   1HB   LEU  70          1HB       LEU  70  -6.769   1.624   0.894
   53   2HB   LEU  70          2HB       LEU  70  -5.847   0.442   1.790
   54    HG   LEU  70           HG       LEU  70  -5.154   3.292   1.232
   55   1HD1  LEU  70          1HD1      LEU  70  -6.690   2.934   3.067
   56   2HD1  LEU  70          2HD1      LEU  70  -5.122   3.475   3.666
   57   3HD1  LEU  70          3HD1      LEU  70  -5.573   1.775   3.792
   58   1HD2  LEU  70          1HD2      LEU  70  -3.407   1.232   2.564
   59   2HD2  LEU  70          2HD2      LEU  70  -3.058   2.955   2.402
   60   3HD2  LEU  70          3HD2      LEU  70  -3.132   1.932   0.968
   61    H    GLN  71           HN       GLN  71  -7.181   1.398  -1.537
   62    HA   GLN  71           HA       GLN  71  -8.763  -0.857  -1.273
   63   1HB   GLN  71          1HB       GLN  71  -9.470   1.433  -2.001
   64   2HB   GLN  71          2HB       GLN  71  -8.789   1.085  -3.583
   65   1HG   GLN  71          1HG       GLN  71 -11.207   0.777  -3.525
   66   2HG   GLN  71          2HG       GLN  71 -10.357  -0.719  -3.903
   67   1HE2  GLN  71          HE21      GLN  71 -10.455  -2.422  -2.492
   68   2HE2  GLN  71          HE22      GLN  71 -11.486  -2.452  -1.096
   69    H    GLN  72           HN       GLN  72  -6.229  -0.149  -3.619
   70    HA   GLN  72           HA       GLN  72  -6.866  -2.186  -5.443
   71   1HB   GLN  72          1HB       GLN  72  -4.307  -0.742  -4.839
   72   2HB   GLN  72          2HB       GLN  72  -4.557  -1.780  -6.209
   73   1HG   GLN  72          1HG       GLN  72  -6.058   0.751  -5.641
   74   2HG   GLN  72          2HG       GLN  72  -4.769   0.558  -6.827
   75   1HE2  GLN  72          HE21      GLN  72  -5.627  -2.056  -7.710
   76   2HE2  GLN  72          HE22      GLN  72  -7.056  -1.808  -8.655
   77    H    LEU  73           HN       LEU  73  -4.933  -2.024  -2.523
   78    HA   LEU  73           HA       LEU  73  -3.917  -4.708  -2.871
   79   1HB   LEU  73          1HB       LEU  73  -3.799  -2.930  -0.436
   80   2HB   LEU  73          2HB       LEU  73  -2.878  -4.399  -0.691
   81    HG   LEU  73           HG       LEU  73  -2.546  -1.733  -2.026
   82   1HD1  LEU  73          1HD1      LEU  73  -0.209  -2.072  -1.341
   83   2HD1  LEU  73          2HD1      LEU  73  -0.677  -3.587  -0.570
   84   3HD1  LEU  73          3HD1      LEU  73  -1.328  -2.058   0.022
   85   1HD2  LEU  73          1HD2      LEU  73  -1.389  -4.359  -2.945
   86   2HD2  LEU  73          2HD2      LEU  73  -0.952  -2.766  -3.562
   87   3HD2  LEU  73          3HD2      LEU  73  -2.585  -3.390  -3.806
   88    H    ARG  74           HN       ARG  74  -6.439  -3.061  -1.087
   89    HA   ARG  74           HA       ARG  74  -7.357  -5.258   0.411
   90   1HB   ARG  74          1HB       ARG  74  -8.887  -2.888  -0.679
   91   2HB   ARG  74          2HB       ARG  74  -9.479  -3.991   0.560
   92   1HG   ARG  74          1HG       ARG  74  -7.958  -3.239   2.143
   93   2HG   ARG  74          2HG       ARG  74  -6.887  -2.553   0.923
   94   1HD   ARG  74          1HD       ARG  74  -7.883  -0.662   1.851
   95   2HD   ARG  74          2HD       ARG  74  -8.863  -0.973   0.416
   96    HE   ARG  74           HE       ARG  74  -9.974  -2.298   2.652
   97   1HH1  ARG  74          1HH1      ARG  74  -9.631   0.883   1.232
   98   2HH1  ARG  74          2HH1      ARG  74 -11.066   1.522   1.972
   99   1HH2  ARG  74          1HH2      ARG  74 -11.866  -1.470   3.639
  100   2HH2  ARG  74          2HH2      ARG  74 -12.327   0.188   3.363
  101    H    ASP  75           HN       ASP  75  -7.705  -4.306  -2.891
  102    HA   ASP  75           HA       ASP  75  -9.685  -6.169  -3.693
  103   1HB   ASP  75          1HB       ASP  75  -9.198  -4.318  -5.134
  104   2HB   ASP  75          2HB       ASP  75  -7.486  -4.725  -5.184
  105    H    MET  76           HN       MET  76  -6.176  -6.304  -3.396
  106    HA   MET  76           HA       MET  76  -5.949  -8.885  -4.642
  107   1HB   MET  76          1HB       MET  76  -3.958  -7.328  -2.974
  108   2HB   MET  76          2HB       MET  76  -3.592  -8.762  -3.925
  109   1HG   MET  76          1HG       MET  76  -4.180  -7.557  -5.965
  110   2HG   MET  76          2HG       MET  76  -4.551  -6.123  -5.011
  111   1HE   MET  76          1HE       MET  76  -2.565  -6.054  -7.472
  112   2HE   MET  76          2HE       MET  76  -1.251  -5.080  -6.813
  113   3HE   MET  76          3HE       MET  76  -2.925  -4.647  -6.469
  114    H    GLY  77           HN       GLY  77  -6.899  -7.780  -1.617
  115   1HA   GLY  77          1HA       GLY  77  -7.721  -9.178   0.096
  116   2HA   GLY  77          2HA       GLY  77  -6.719 -10.484  -0.524
  117    H    ILE  78           HN       ILE  78  -5.578  -7.231   0.084
  118    HA   ILE  78           HA       ILE  78  -3.726  -8.307   2.087
  119    HB   ILE  78           HB       ILE  78  -3.658  -5.542   0.876
  120   1HG1  ILE  78          1HG1      ILE  78  -3.503  -7.072  -0.983
  121   2HG1  ILE  78          2HG1      ILE  78  -1.896  -6.439  -0.655
  122   1HG2  ILE  78          1HG2      ILE  78  -1.533  -7.205   2.222
  123   2HG2  ILE  78          2HG2      ILE  78  -2.383  -5.832   2.929
  124   3HG2  ILE  78          3HG2      ILE  78  -1.307  -5.589   1.553
  125   1HD1  ILE  78          1HD1      ILE  78  -1.838  -8.805  -1.165
  126   2HD1  ILE  78          2HD1      ILE  78  -2.933  -9.134   0.178
  127   3HD1  ILE  78          3HD1      ILE  78  -1.314  -8.506   0.494
  128    H    GLN  79           HN       GLN  79  -4.219  -8.065   4.150
  129    HA   GLN  79           HA       GLN  79  -6.350  -6.308   5.001
  130   1HB   GLN  79          1HB       GLN  79  -6.219  -8.454   6.063
  131   2HB   GLN  79          2HB       GLN  79  -4.524  -8.215   6.473
  132   1HG   GLN  79          1HG       GLN  79  -5.341  -6.239   7.875
  133   2HG   GLN  79          2HG       GLN  79  -6.947  -6.938   7.687
  134   1HE2  GLN  79          HE21      GLN  79  -5.998  -9.678   7.723
  135   2HE2  GLN  79          HE22      GLN  79  -5.568 -10.017   9.366
  136    H    ASP  80           HN       ASP  80  -2.894  -6.299   4.979
  137    HA   ASP  80           HA       ASP  80  -2.608  -4.463   7.162
  138   1HB   ASP  80          1HB       ASP  80  -0.505  -5.373   5.193
  139   2HB   ASP  80          2HB       ASP  80  -0.245  -4.679   6.790
  140    H    ASP  81           HN       ASP  81  -4.033  -2.855   6.126
  141    HA   ASP  81           HA       ASP  81  -3.005  -1.323   3.926
  142   1HB   ASP  81          1HB       ASP  81  -4.872   0.187   4.331
  143   2HB   ASP  81          2HB       ASP  81  -5.436  -1.478   4.375
  144    H    GLU  82           HN       GLU  82  -2.796  -1.224   7.397
  145    HA   GLU  82           HA       GLU  82  -1.708   1.363   7.710
  146   1HB   GLU  82          1HB       GLU  82  -2.520  -0.133   9.546
  147   2HB   GLU  82          2HB       GLU  82  -1.102  -1.138   9.303
  148   1HG   GLU  82          1HG       GLU  82   0.313   0.810   9.876
  149   2HG   GLU  82          2HG       GLU  82  -1.155   1.716  10.244
  150    H    LEU  83           HN       LEU  83  -0.192  -1.812   7.392
  151    HA   LEU  83           HA       LEU  83   2.454  -1.107   6.980
  152   1HB   LEU  83          1HB       LEU  83   1.882  -3.382   7.278
  153   2HB   LEU  83          2HB       LEU  83   0.688  -3.326   6.013
  154    HG   LEU  83           HG       LEU  83   2.835  -4.675   5.623
  155   1HD1  LEU  83          1HD1      LEU  83   1.193  -4.316   3.923
  156   2HD1  LEU  83          2HD1      LEU  83   2.797  -4.084   3.226
  157   3HD1  LEU  83          3HD1      LEU  83   1.792  -2.686   3.620
  158   1HD2  LEU  83          1HD2      LEU  83   4.444  -2.982   6.316
  159   2HD2  LEU  83          2HD2      LEU  83   3.882  -1.908   5.034
  160   3HD2  LEU  83          3HD2      LEU  83   4.685  -3.425   4.626
  161    H    SER  84           HN       SER  84  -0.131  -1.490   4.572
  162    HA   SER  84           HA       SER  84   1.368  -0.950   2.299
  163   1HB   SER  84          1HB       SER  84  -0.759  -1.914   2.005
  164   2HB   SER  84          2HB       SER  84  -1.551  -0.645   2.929
  165    HG   SER  84           HG       SER  84  -0.238  -0.227   0.452
  166    H    LEU  85           HN       LEU  85  -0.499   1.297   4.317
  167    HA   LEU  85           HA       LEU  85  -0.223   3.625   2.857
  168   1HB   LEU  85          1HB       LEU  85  -1.338   2.961   5.209
  169   2HB   LEU  85          2HB       LEU  85   0.085   3.781   5.807
  170    HG   LEU  85           HG       LEU  85  -1.873   5.254   5.720
  171   1HD1  LEU  85          1HD1      LEU  85  -0.844   7.120   4.521
  172   2HD1  LEU  85          2HD1      LEU  85   0.294   6.001   3.768
  173   3HD1  LEU  85          3HD1      LEU  85   0.324   6.250   5.513
  174   1HD2  LEU  85          1HD2      LEU  85  -3.030   4.262   3.843
  175   2HD2  LEU  85          2HD2      LEU  85  -1.748   4.783   2.748
  176   3HD2  LEU  85          3HD2      LEU  85  -2.762   5.979   3.556
  177    H    ARG  86           HN       ARG  86   2.111   2.002   4.897
  178    HA   ARG  86           HA       ARG  86   3.987   4.178   4.985
  179   1HB   ARG  86          1HB       ARG  86   4.347   1.240   5.618
  180   2HB   ARG  86          2HB       ARG  86   5.545   2.490   5.933
  181   1HG   ARG  86          1HG       ARG  86   4.026   3.587   7.470
  182   2HG   ARG  86          2HG       ARG  86   2.786   2.381   7.125
  183   1HD   ARG  86          1HD       ARG  86   4.260   0.632   8.007
  184   2HD   ARG  86          2HD       ARG  86   5.475   1.856   8.382
  185    HE   ARG  86           HE       ARG  86   3.708   2.858   9.860
  186   1HH1  ARG  86          1HH1      ARG  86   3.831  -0.580   9.181
  187   2HH1  ARG  86          2HH1      ARG  86   2.893  -1.017  10.581
  188   1HH2  ARG  86          1HH2      ARG  86   2.525   2.304  11.694
  189   2HH2  ARG  86          2HH2      ARG  86   2.135   0.640  12.010
  190    H    ALA  87           HN       ALA  87   3.733   1.129   3.198
  191    HA   ALA  87           HA       ALA  87   6.079   1.417   1.668
  192   1HB   ALA  87          1HB       ALA  87   5.026  -0.247   0.182
  193   2HB   ALA  87          2HB       ALA  87   3.509  -0.045   1.065
  194   3HB   ALA  87          3HB       ALA  87   4.928  -0.703   1.883
  195    H    LEU  88           HN       LEU  88   2.801   2.565   1.273
  196    HA   LEU  88           HA       LEU  88   2.950   3.522  -1.358
  197   1HB   LEU  88          1HB       LEU  88   1.238   4.002   1.011
  198   2HB   LEU  88          2HB       LEU  88   1.191   5.227  -0.241
  199    HG   LEU  88           HG       LEU  88  -0.584   3.447  -0.347
  200   1HD1  LEU  88          1HD1      LEU  88  -0.058   4.900  -2.220
  201   2HD1  LEU  88          2HD1      LEU  88  -0.434   3.273  -2.792
  202   3HD1  LEU  88          3HD1      LEU  88   1.243   3.817  -2.716
  203   1HD2  LEU  88          1HD2      LEU  88  -0.003   1.328  -1.376
  204   2HD2  LEU  88          2HD2      LEU  88   0.833   1.516   0.166
  205   3HD2  LEU  88          3HD2      LEU  88   1.707   1.762  -1.345
  206    H    GLN  89           HN       GLN  89   3.376   5.279   1.705
  207    HA   GLN  89           HA       GLN  89   4.069   7.743   0.611
  208   1HB   GLN  89          1HB       GLN  89   4.890   6.489   3.230
  209   2HB   GLN  89          2HB       GLN  89   5.116   8.181   2.823
  210   1HG   GLN  89          1HG       GLN  89   2.756   8.538   2.702
  211   2HG   GLN  89          2HG       GLN  89   2.445   6.813   2.884
  212   1HE2  GLN  89          HE21      GLN  89   2.724   5.845   4.884
  213   2HE2  GLN  89          HE22      GLN  89   2.818   6.759   6.351
  214    H    ALA  90           HN       ALA  90   6.097   4.962   1.406
  215    HA   ALA  90           HA       ALA  90   8.570   6.318   1.000
  216   1HB   ALA  90          1HB       ALA  90   8.408   4.366   2.439
  217   2HB   ALA  90          2HB       ALA  90   9.578   4.098   1.146
  218   3HB   ALA  90          3HB       ALA  90   7.976   3.363   1.054
  219    H    THR  91           HN       THR  91   6.265   5.108  -1.176
  220    HA   THR  91           HA       THR  91   8.287   4.945  -3.309
  221    HB   THR  91           HB       THR  91   6.514   3.677  -4.580
  222    HG1  THR  91           HG1      THR  91   5.265   3.110  -2.130
  223   1HG2  THR  91          1HG2      THR  91   8.368   2.521  -3.491
  224   2HG2  THR  91          2HG2      THR  91   6.890   1.568  -3.369
  225   3HG2  THR  91          3HG2      THR  91   7.468   2.479  -1.974
  226    H    GLY  92           HN       GLY  92   6.240   7.088  -2.026
  227   1HA   GLY  92          1HA       GLY  92   5.457   9.105  -2.841
  228   2HA   GLY  92          2HA       GLY  92   6.123   8.673  -4.408
  229    H    GLY  93           HN       GLY  93   3.926   6.509  -2.828
  230   1HA   GLY  93          1HA       GLY  93   1.629   6.200  -3.109
  231   2HA   GLY  93          2HA       GLY  93   1.598   7.588  -4.189
  232    H    ASP  94           HN       ASP  94   3.531   4.613  -4.316
  233    HA   ASP  94           HA       ASP  94   2.244   3.999  -6.893
  234   1HB   ASP  94          1HB       ASP  94   4.659   4.824  -7.040
  235   2HB   ASP  94          2HB       ASP  94   5.114   3.328  -6.227
  236    H    ILE  95           HN       ILE  95   1.013   2.327  -6.583
  237    HA   ILE  95           HA       ILE  95   1.087   0.611  -4.381
  238    HB   ILE  95           HB       ILE  95  -0.316   0.516  -7.025
  239   1HG1  ILE  95          1HG1      ILE  95  -0.983   2.112  -5.232
  240   2HG1  ILE  95          2HG1      ILE  95  -2.253   0.973  -5.682
  241   1HG2  ILE  95          1HG2      ILE  95   0.110  -1.818  -6.447
  242   2HG2  ILE  95          2HG2      ILE  95  -1.601  -1.422  -6.279
  243   3HG2  ILE  95          3HG2      ILE  95  -0.580  -1.553  -4.846
  244   1HD1  ILE  95          1HD1      ILE  95  -1.688  -0.379  -3.707
  245   2HD1  ILE  95          2HD1      ILE  95  -2.197   1.259  -3.294
  246   3HD1  ILE  95          3HD1      ILE  95  -0.484   0.831  -3.256
  247    H    GLN  96           HN       GLN  96   1.960  -0.079  -7.762
  248    HA   GLN  96           HA       GLN  96   2.785  -2.715  -7.346
  249   1HB   GLN  96          1HB       GLN  96   3.354  -0.680  -9.443
  250   2HB   GLN  96          2HB       GLN  96   4.290  -2.170  -9.433
  251   1HG   GLN  96          1HG       GLN  96   1.286  -2.001  -9.524
  252   2HG   GLN  96          2HG       GLN  96   2.341  -2.307 -10.906
  253   1HE2  GLN  96          HE21      GLN  96   0.221  -3.943  -9.651
  254   2HE2  GLN  96          HE22      GLN  96   0.970  -5.458  -9.265
  255    H    ALA  97           HN       ALA  97   4.679   0.277  -7.111
  256    HA   ALA  97           HA       ALA  97   7.145  -1.058  -6.568
  257   1HB   ALA  97          1HB       ALA  97   7.928   1.148  -5.816
  258   2HB   ALA  97          2HB       ALA  97   6.275   1.758  -5.917
  259   3HB   ALA  97          3HB       ALA  97   7.113   1.234  -7.378
  260    H    ALA  98           HN       ALA  98   4.455   0.027  -4.621
  261    HA   ALA  98           HA       ALA  98   5.685  -0.219  -2.088
  262   1HB   ALA  98          1HB       ALA  98   2.765  -0.469  -2.816
  263   2HB   ALA  98          2HB       ALA  98   3.611   1.028  -2.422
  264   3HB   ALA  98          3HB       ALA  98   3.408  -0.224  -1.195
  265    H    LEU  99           HN       LEU  99   3.851  -2.536  -4.095
  266    HA   LEU  99           HA       LEU  99   3.780  -4.679  -2.320
  267   1HB   LEU  99          1HB       LEU  99   3.825  -4.466  -5.290
  268   2HB   LEU  99          2HB       LEU  99   4.075  -6.044  -4.570
  269    HG   LEU  99           HG       LEU  99   1.902  -5.589  -3.283
  270   1HD1  LEU  99          1HD1      LEU  99   1.566  -3.596  -5.503
  271   2HD1  LEU  99          2HD1      LEU  99   1.742  -3.217  -3.790
  272   3HD1  LEU  99          3HD1      LEU  99   0.326  -4.105  -4.355
  273   1HD2  LEU  99          1HD2      LEU  99   2.089  -7.266  -5.016
  274   2HD2  LEU  99          2HD2      LEU  99   1.879  -6.032  -6.260
  275   3HD2  LEU  99          3HD2      LEU  99   0.552  -6.412  -5.163
  276    H    GLU 100           HN       GLU 100   6.474  -3.276  -3.845
  277    HA   GLU 100           HA       GLU 100   8.117  -5.681  -3.654
  278   1HB   GLU 100          1HB       GLU 100   8.800  -2.896  -4.649
  279   2HB   GLU 100          2HB       GLU 100   9.858  -4.299  -4.732
  280   1HG   GLU 100          1HG       GLU 100   7.181  -4.128  -6.091
  281   2HG   GLU 100          2HG       GLU 100   8.710  -3.719  -6.863
  282    H    LEU 101           HN       LEU 101   7.644  -2.508  -2.316
  283    HA   LEU 101           HA       LEU 101   9.679  -2.493  -0.376
  284   1HB   LEU 101          1HB       LEU 101   7.617  -0.825  -1.187
  285   2HB   LEU 101          2HB       LEU 101   7.137  -1.288   0.432
  286    HG   LEU 101           HG       LEU 101   8.397   0.836   0.364
  287   1HD1  LEU 101          1HD1      LEU 101   8.413  -0.551   2.379
  288   2HD1  LEU 101          2HD1      LEU 101   9.935   0.316   2.174
  289   3HD1  LEU 101          3HD1      LEU 101   9.836  -1.402   1.781
  290   1HD2  LEU 101          1HD2      LEU 101  10.662  -0.920  -0.564
  291   2HD2  LEU 101          2HD2      LEU 101  10.783   0.792  -0.141
  292   3HD2  LEU 101          3HD2      LEU 101   9.821   0.289  -1.535
  293    H    ILE 102           HN       ILE 102   6.328  -3.584  -0.341
  294    HA   ILE 102           HA       ILE 102   6.222  -4.314   2.350
  295    HB   ILE 102           HB       ILE 102   4.569  -5.335   0.050
  296   1HG1  ILE 102          1HG1      ILE 102   3.789  -3.274   2.104
  297   2HG1  ILE 102          2HG1      ILE 102   4.601  -2.826   0.607
  298   1HG2  ILE 102          1HG2      ILE 102   2.947  -6.036   1.710
  299   2HG2  ILE 102          2HG2      ILE 102   3.987  -5.463   3.012
  300   3HG2  ILE 102          3HG2      ILE 102   4.494  -6.830   2.013
  301   1HD1  ILE 102          1HD1      ILE 102   2.203  -2.550   0.413
  302   2HD1  ILE 102          2HD1      ILE 102   1.956  -4.243   0.842
  303   3HD1  ILE 102          3HD1      ILE 102   2.767  -3.826  -0.667
  304    H    PHE 103           HN       PHE 103   6.507  -6.362  -0.529
  305    HA   PHE 103           HA       PHE 103   6.785  -8.747   0.977
  306   1HB   PHE 103          1HB       PHE 103   7.075  -8.065  -1.916
  307   2HB   PHE 103          2HB       PHE 103   7.599  -9.643  -1.337
  308    HD1  PHE 103           HD1      PHE 103   5.955 -11.215  -0.377
  309    HD2  PHE 103           HD2      PHE 103   4.771  -7.500  -2.077
  310    HE1  PHE 103           HE1      PHE 103   3.637 -12.021  -0.512
  311    HE2  PHE 103           HE2      PHE 103   2.447  -8.300  -2.212
  312    HZ   PHE 103           HZ       PHE 103   1.883 -10.587  -1.378
  313    H    ALA 104           HN       ALA 104   9.078  -6.327   0.304
  314    HA   ALA 104           HA       ALA 104  11.282  -8.228   0.708
  315   1HB   ALA 104          1HB       ALA 104  11.567  -6.631  -1.127
  316   2HB   ALA 104          2HB       ALA 104  12.781  -6.392   0.130
  317   3HB   ALA 104          3HB       ALA 104  11.406  -5.295   0.011
  318    H    GLY 105           HN       GLY 105   9.336  -5.953   2.324
  319   1HA   GLY 105          1HA       GLY 105   9.237  -5.458   4.567
  320   2HA   GLY 105          2HA       GLY 105  10.685  -6.422   4.823
  321    H    GLY 106           HN       GLY 106  11.000  -4.159   2.332
  322   1HA   GLY 106          1HA       GLY 106  11.669  -1.802   3.623
  323   2HA   GLY 106          2HA       GLY 106  13.108  -2.815   3.658
  324    H    ALA 107           HN       ALA 107  13.889  -0.925   2.351
  325    HA   ALA 107           HA       ALA 107  12.960  -0.536  -0.297
  326   1HB   ALA 107          1HB       ALA 107  14.255   1.160   0.890
  327   2HB   ALA 107          2HB       ALA 107  15.038   0.717  -0.628
  328   3HB   ALA 107          3HB       ALA 107  15.659   0.089   0.899
  329    HA   PRO 108           HA       PRO 108  14.579  -4.178  -2.289
  330   1HB   PRO 108          1HB       PRO 108  14.605  -2.403  -4.673
  331   2HB   PRO 108          2HB       PRO 108  13.821  -3.972  -4.446
  332   1HG   PRO 108          1HG       PRO 108  12.383  -1.729  -4.480
  333   2HG   PRO 108          2HG       PRO 108  11.989  -3.045  -3.358
  334   1HD   PRO 108          1HD       PRO 108  13.414  -0.466  -2.829
  335   2HD   PRO 108          2HD       PRO 108  12.209  -1.312  -1.837
  Start of MODEL    6
    1    H    GLY  63           HT1      GLY  63  -3.968   9.878  -5.747
    2   1HA   GLY  63          1HA       GLY  63  -5.973   9.787  -3.561
    3   2HA   GLY  63          2HA       GLY  63  -4.912   8.461  -4.021
    4    H    SER  64           HN       SER  64  -5.230  11.340  -2.219
    5    HA   SER  64           HA       SER  64  -2.385  11.863  -2.039
    6   1HB   SER  64          1HB       SER  64  -3.393  13.654  -0.390
    7   2HB   SER  64          2HB       SER  64  -3.531  13.863  -2.139
    8    HG   SER  64           HG       SER  64  -5.547  14.178  -1.132
    9    H    GLN  65           HN       GLN  65  -4.835  10.263  -0.240
   10    HA   GLN  65           HA       GLN  65  -3.054  10.046   2.078
   11   1HB   GLN  65          1HB       GLN  65  -5.316  11.018   2.496
   12   2HB   GLN  65          2HB       GLN  65  -6.030   9.517   1.917
   13   1HG   GLN  65          1HG       GLN  65  -5.091   8.291   3.697
   14   2HG   GLN  65          2HG       GLN  65  -4.125   9.666   4.217
   15   1HE2  GLN  65          HE21      GLN  65  -7.439   9.953   3.177
   16   2HE2  GLN  65          HE22      GLN  65  -8.095  10.340   4.734
   17    H    TRP  66           HN       TRP  66  -3.540   8.726  -0.634
   18    HA   TRP  66           HA       TRP  66  -2.972   6.784  -1.603
   19   1HB   TRP  66          1HB       TRP  66  -2.044   6.041   1.170
   20   2HB   TRP  66          2HB       TRP  66  -1.612   5.195  -0.320
   21    HD1  TRP  66           HD1      TRP  66  -0.173   6.686  -2.123
   22    HE1  TRP  66           HE1      TRP  66   1.619   8.490  -1.729
   23    HE3  TRP  66           HE3      TRP  66  -1.292   7.871   2.711
   24    HZ2  TRP  66           HZ2      TRP  66   2.440  10.195   0.359
   25    HZ3  TRP  66           HZ3      TRP  66   0.040   9.607   3.837
   26    HH2  TRP  66           HH2      TRP  66   1.868  10.745   2.684
   27    H    GLN  67           HN       GLN  67  -5.615   7.029   0.108
   28    HA   GLN  67           HA       GLN  67  -6.264   4.373   0.786
   29   1HB   GLN  67          1HB       GLN  67  -7.944   6.810   0.343
   30   2HB   GLN  67          2HB       GLN  67  -8.674   5.241   0.665
   31   1HG   GLN  67          1HG       GLN  67  -7.253   5.094   2.712
   32   2HG   GLN  67          2HG       GLN  67  -6.781   6.774   2.423
   33   1HE2  GLN  67          HE21      GLN  67  -7.704   7.466   4.356
   34   2HE2  GLN  67          HE22      GLN  67  -9.415   7.578   4.584
   35    HA   PRO  68           HA       PRO  68  -8.337   4.144  -3.686
   36   1HB   PRO  68          1HB       PRO  68  -6.180   5.684  -5.036
   37   2HB   PRO  68          2HB       PRO  68  -7.895   5.557  -5.446
   38   1HG   PRO  68          1HG       PRO  68  -6.925   7.756  -4.299
   39   2HG   PRO  68          2HG       PRO  68  -8.526   7.127  -3.869
   40   1HD   PRO  68          1HD       PRO  68  -5.960   6.989  -2.356
   41   2HD   PRO  68          2HD       PRO  68  -7.620   7.164  -1.755
   42    H    GLN  69           HN       GLN  69  -4.950   4.454  -2.870
   43    HA   GLN  69           HA       GLN  69  -4.105   2.242  -4.486
   44   1HB   GLN  69          1HB       GLN  69  -2.768   3.917  -2.379
   45   2HB   GLN  69          2HB       GLN  69  -1.994   2.482  -3.011
   46   1HG   GLN  69          1HG       GLN  69  -1.118   4.289  -4.220
   47   2HG   GLN  69          2HG       GLN  69  -2.237   3.473  -5.295
   48   1HE2  GLN  69          HE21      GLN  69  -3.126   5.626  -2.687
   49   2HE2  GLN  69          HE22      GLN  69  -3.759   6.882  -3.689
   50    H    LEU  70           HN       LEU  70  -4.647   2.801  -1.006
   51    HA   LEU  70           HA       LEU  70  -4.220   0.266   0.007
   52   1HB   LEU  70          1HB       LEU  70  -6.592   2.000   0.720
   53   2HB   LEU  70          2HB       LEU  70  -5.862   0.783   1.735
   54    HG   LEU  70           HG       LEU  70  -4.819   3.467   1.005
   55   1HD1  LEU  70          1HD1      LEU  70  -5.327   2.113   3.642
   56   2HD1  LEU  70          2HD1      LEU  70  -6.322   3.366   2.898
   57   3HD1  LEU  70          3HD1      LEU  70  -4.685   3.742   3.434
   58   1HD2  LEU  70          1HD2      LEU  70  -2.724   2.936   2.129
   59   2HD2  LEU  70          2HD2      LEU  70  -2.966   1.886   0.733
   60   3HD2  LEU  70          3HD2      LEU  70  -3.262   1.272   2.361
   61    H    GLN  71           HN       GLN  71  -7.015   1.566  -1.645
   62    HA   GLN  71           HA       GLN  71  -8.810  -0.500  -1.350
   63   1HB   GLN  71          1HB       GLN  71  -9.278   1.756  -2.287
   64   2HB   GLN  71          2HB       GLN  71  -8.496   1.263  -3.781
   65   1HG   GLN  71          1HG       GLN  71 -10.196  -0.570  -3.940
   66   2HG   GLN  71          2HG       GLN  71 -11.019   0.185  -2.576
   67   1HE2  GLN  71          HE21      GLN  71 -11.968  -0.210  -5.296
   68   2HE2  GLN  71          HE22      GLN  71 -12.336   1.374  -5.911
   69    H    GLN  72           HN       GLN  72  -6.133  -0.198  -3.654
   70    HA   GLN  72           HA       GLN  72  -6.856  -2.207  -5.434
   71   1HB   GLN  72          1HB       GLN  72  -4.204  -1.127  -4.545
   72   2HB   GLN  72          2HB       GLN  72  -4.395  -2.243  -5.861
   73   1HG   GLN  72          1HG       GLN  72  -5.658   0.466  -5.745
   74   2HG   GLN  72          2HG       GLN  72  -4.152   0.095  -6.583
   75   1HE2  GLN  72          HE21      GLN  72  -5.061  -2.521  -7.486
   76   2HE2  GLN  72          HE22      GLN  72  -6.193  -2.221  -8.760
   77    H    LEU  73           HN       LEU  73  -4.941  -2.250  -2.467
   78    HA   LEU  73           HA       LEU  73  -4.328  -5.044  -2.729
   79   1HB   LEU  73          1HB       LEU  73  -3.963  -3.272  -0.313
   80   2HB   LEU  73          2HB       LEU  73  -3.165  -4.803  -0.628
   81    HG   LEU  73           HG       LEU  73  -2.721  -2.171  -2.023
   82   1HD1  LEU  73          1HD1      LEU  73  -0.874  -4.003  -0.513
   83   2HD1  LEU  73          2HD1      LEU  73  -1.541  -2.480   0.077
   84   3HD1  LEU  73          3HD1      LEU  73  -0.426  -2.484  -1.289
   85   1HD2  LEU  73          1HD2      LEU  73  -1.129  -3.346  -3.474
   86   2HD2  LEU  73          2HD2      LEU  73  -2.789  -3.883  -3.730
   87   3HD2  LEU  73          3HD2      LEU  73  -1.672  -4.888  -2.805
   88    H    ARG  74           HN       ARG  74  -6.508  -3.057  -0.790
   89    HA   ARG  74           HA       ARG  74  -7.607  -5.090   0.794
   90   1HB   ARG  74          1HB       ARG  74  -8.903  -2.568  -0.259
   91   2HB   ARG  74          2HB       ARG  74  -9.543  -3.567   1.043
   92   1HG   ARG  74          1HG       ARG  74  -7.900  -2.937   2.524
   93   2HG   ARG  74          2HG       ARG  74  -6.768  -2.502   1.244
   94   1HD   ARG  74          1HD       ARG  74  -7.459  -0.444   2.149
   95   2HD   ARG  74          2HD       ARG  74  -8.392  -0.637   0.666
   96    HE   ARG  74           HE       ARG  74 -10.231  -1.460   2.183
   97   1HH1  ARG  74          1HH1      ARG  74  -7.711   0.622   3.401
   98   2HH1  ARG  74          2HH1      ARG  74  -8.766   1.486   4.483
   99   1HH2  ARG  74          1HH2      ARG  74 -11.635  -0.367   3.635
  100   2HH2  ARG  74          2HH2      ARG  74 -11.002   0.936   4.605
  101    H    ASP  75           HN       ASP  75  -8.291  -4.026  -2.465
  102    HA   ASP  75           HA       ASP  75 -10.548  -5.647  -2.975
  103   1HB   ASP  75          1HB       ASP  75  -9.954  -3.764  -4.413
  104   2HB   ASP  75          2HB       ASP  75  -8.439  -4.547  -4.850
  105    H    MET  76           HN       MET  76  -7.086  -6.249  -3.065
  106    HA   MET  76           HA       MET  76  -7.370  -8.821  -4.347
  107   1HB   MET  76          1HB       MET  76  -5.002  -7.477  -3.032
  108   2HB   MET  76          2HB       MET  76  -4.928  -9.023  -3.869
  109   1HG   MET  76          1HG       MET  76  -5.474  -8.001  -5.947
  110   2HG   MET  76          2HG       MET  76  -5.815  -6.460  -5.161
  111   1HE   MET  76          1HE       MET  76  -2.893  -8.935  -4.359
  112   2HE   MET  76          2HE       MET  76  -1.581  -8.298  -5.349
  113   3HE   MET  76          3HE       MET  76  -2.981  -9.057  -6.114
  114    H    GLY  77           HN       GLY  77  -7.932  -7.673  -1.288
  115   1HA   GLY  77          1HA       GLY  77  -8.757  -9.042   0.455
  116   2HA   GLY  77          2HA       GLY  77  -7.824 -10.385  -0.191
  117    H    ILE  78           HN       ILE  78  -6.026  -7.537  -0.099
  118    HA   ILE  78           HA       ILE  78  -4.350  -8.607   1.997
  119    HB   ILE  78           HB       ILE  78  -4.029  -5.921   0.660
  120   1HG1  ILE  78          1HG1      ILE  78  -4.197  -7.478  -1.161
  121   2HG1  ILE  78          2HG1      ILE  78  -2.494  -7.101  -0.941
  122   1HG2  ILE  78          1HG2      ILE  78  -1.646  -6.294   1.144
  123   2HG2  ILE  78          2HG2      ILE  78  -2.063  -7.812   1.941
  124   3HG2  ILE  78          3HG2      ILE  78  -2.635  -6.282   2.604
  125   1HD1  ILE  78          1HD1      ILE  78  -2.184  -9.217   0.238
  126   2HD1  ILE  78          2HD1      ILE  78  -2.827  -9.454  -1.389
  127   3HD1  ILE  78          3HD1      ILE  78  -3.895  -9.585   0.008
  128    H    GLN  79           HN       GLN  79  -4.537  -8.129   4.070
  129    HA   GLN  79           HA       GLN  79  -6.449  -6.045   4.852
  130   1HB   GLN  79          1HB       GLN  79  -6.716  -8.415   5.615
  131   2HB   GLN  79          2HB       GLN  79  -5.212  -8.253   6.505
  132   1HG   GLN  79          1HG       GLN  79  -6.200  -6.515   7.887
  133   2HG   GLN  79          2HG       GLN  79  -7.707  -6.638   6.979
  134   1HE2  GLN  79          HE21      GLN  79  -9.016  -8.443   7.248
  135   2HE2  GLN  79          HE22      GLN  79  -8.818  -9.530   8.586
  136    H    ASP  80           HN       ASP  80  -3.203  -6.291   4.421
  137    HA   ASP  80           HA       ASP  80  -2.366  -4.994   6.868
  138   1HB   ASP  80          1HB       ASP  80  -0.762  -5.747   4.416
  139   2HB   ASP  80          2HB       ASP  80  -0.106  -5.195   5.951
  140    H    ASP  81           HN       ASP  81  -4.025  -3.272   6.005
  141    HA   ASP  81           HA       ASP  81  -3.219  -1.307   4.161
  142   1HB   ASP  81          1HB       ASP  81  -4.983  -1.190   6.608
  143   2HB   ASP  81          2HB       ASP  81  -4.646   0.242   5.646
  144    H    GLU  82           HN       GLU  82  -2.628  -1.707   7.605
  145    HA   GLU  82           HA       GLU  82  -1.361   0.699   8.207
  146   1HB   GLU  82          1HB       GLU  82  -2.041  -1.059   9.842
  147   2HB   GLU  82          2HB       GLU  82  -0.711  -2.060   9.278
  148   1HG   GLU  82          1HG       GLU  82  -0.119  -0.987  11.344
  149   2HG   GLU  82          2HG       GLU  82   0.874  -0.349  10.035
  150    H    LEU  83           HN       LEU  83  -0.081  -2.329   7.066
  151    HA   LEU  83           HA       LEU  83   2.618  -1.665   6.755
  152   1HB   LEU  83          1HB       LEU  83   1.905  -3.933   6.812
  153   2HB   LEU  83          2HB       LEU  83   0.722  -3.655   5.565
  154    HG   LEU  83           HG       LEU  83   2.863  -5.047   5.065
  155   1HD1  LEU  83          1HD1      LEU  83   1.839  -2.915   3.204
  156   2HD1  LEU  83          2HD1      LEU  83   1.126  -4.506   3.469
  157   3HD1  LEU  83          3HD1      LEU  83   2.724  -4.367   2.728
  158   1HD2  LEU  83          1HD2      LEU  83   4.483  -3.390   5.830
  159   2HD2  LEU  83          2HD2      LEU  83   3.897  -2.249   4.619
  160   3HD2  LEU  83          3HD2      LEU  83   4.690  -3.742   4.114
  161    H    SER  84           HN       SER  84  -0.031  -1.751   4.384
  162    HA   SER  84           HA       SER  84   1.478  -1.106   2.143
  163   1HB   SER  84          1HB       SER  84  -0.681  -2.079   1.889
  164   2HB   SER  84          2HB       SER  84  -1.449  -0.747   2.738
  165    HG   SER  84           HG       SER  84  -1.527  -0.784   0.333
  166    H    LEU  85           HN       LEU  85  -0.463   1.067   4.193
  167    HA   LEU  85           HA       LEU  85  -0.221   3.424   2.773
  168   1HB   LEU  85          1HB       LEU  85  -1.399   2.763   5.052
  169   2HB   LEU  85          2HB       LEU  85   0.043   3.467   5.744
  170    HG   LEU  85           HG       LEU  85  -1.827   5.053   5.678
  171   1HD1  LEU  85          1HD1      LEU  85   0.424   5.934   5.604
  172   2HD1  LEU  85          2HD1      LEU  85  -0.655   6.922   4.616
  173   3HD1  LEU  85          3HD1      LEU  85   0.446   5.773   3.847
  174   1HD2  LEU  85          1HD2      LEU  85  -2.594   5.949   3.535
  175   2HD2  LEU  85          2HD2      LEU  85  -2.965   4.233   3.703
  176   3HD2  LEU  85          3HD2      LEU  85  -1.615   4.749   2.690
  177    H    ARG  86           HN       ARG  86   2.148   1.843   4.809
  178    HA   ARG  86           HA       ARG  86   3.881   4.138   4.987
  179   1HB   ARG  86          1HB       ARG  86   4.435   1.248   5.695
  180   2HB   ARG  86          2HB       ARG  86   5.422   2.633   6.146
  181   1HG   ARG  86          1HG       ARG  86   3.623   3.522   7.487
  182   2HG   ARG  86          2HG       ARG  86   2.569   2.199   6.992
  183   1HD   ARG  86          1HD       ARG  86   4.234   0.626   8.013
  184   2HD   ARG  86          2HD       ARG  86   5.066   2.040   8.664
  185    HE   ARG  86           HE       ARG  86   2.280   1.998   9.316
  186   1HH1  ARG  86          1HH1      ARG  86   5.426   0.786  10.286
  187   2HH1  ARG  86          2HH1      ARG  86   4.956   0.541  11.942
  188   1HH2  ARG  86          1HH2      ARG  86   1.663   1.655  11.471
  189   2HH2  ARG  86          2HH2      ARG  86   2.812   0.998  12.606
  190    H    ALA  87           HN       ALA  87   3.763   1.117   3.170
  191    HA   ALA  87           HA       ALA  87   6.152   1.488   1.708
  192   1HB   ALA  87          1HB       ALA  87   5.174  -0.155   0.145
  193   2HB   ALA  87          2HB       ALA  87   3.633  -0.027   1.000
  194   3HB   ALA  87          3HB       ALA  87   5.053  -0.671   1.826
  195    H    LEU  88           HN       LEU  88   2.848   2.541   1.291
  196    HA   LEU  88           HA       LEU  88   3.039   3.671  -1.278
  197   1HB   LEU  88          1HB       LEU  88   1.236   3.908   1.060
  198   2HB   LEU  88          2HB       LEU  88   1.176   5.210  -0.111
  199    HG   LEU  88           HG       LEU  88  -0.532   3.449  -0.459
  200   1HD1  LEU  88          1HD1      LEU  88   1.512   3.796  -2.654
  201   2HD1  LEU  88          2HD1      LEU  88   0.169   4.879  -2.291
  202   3HD1  LEU  88          3HD1      LEU  88  -0.148   3.250  -2.886
  203   1HD2  LEU  88          1HD2      LEU  88   0.789   1.499   0.197
  204   2HD2  LEU  88          2HD2      LEU  88   1.826   1.725  -1.211
  205   3HD2  LEU  88          3HD2      LEU  88   0.126   1.309  -1.426
  206    H    GLN  89           HN       GLN  89   3.285   5.206   1.922
  207    HA   GLN  89           HA       GLN  89   3.988   7.759   1.168
  208   1HB   GLN  89          1HB       GLN  89   4.941   6.147   3.535
  209   2HB   GLN  89          2HB       GLN  89   5.188   7.874   3.358
  210   1HG   GLN  89          1HG       GLN  89   2.766   8.213   3.316
  211   2HG   GLN  89          2HG       GLN  89   2.535   6.477   3.527
  212   1HE2  GLN  89          HE21      GLN  89   3.576   9.434   5.033
  213   2HE2  GLN  89          HE22      GLN  89   3.550   8.853   6.665
  214    H    ALA  90           HN       ALA  90   6.046   4.899   1.402
  215    HA   ALA  90           HA       ALA  90   8.474   6.379   1.037
  216   1HB   ALA  90          1HB       ALA  90   7.977   3.413   0.892
  217   2HB   ALA  90          2HB       ALA  90   8.431   4.321   2.335
  218   3HB   ALA  90          3HB       ALA  90   9.555   4.200   0.981
  219    H    THR  91           HN       THR  91   6.132   5.062  -1.106
  220    HA   THR  91           HA       THR  91   8.017   5.067  -3.342
  221    HB   THR  91           HB       THR  91   6.037   4.281  -4.684
  222    HG1  THR  91           HG1      THR  91   4.696   3.537  -2.373
  223   1HG2  THR  91          1HG2      THR  91   6.801   2.644  -2.271
  224   2HG2  THR  91          2HG2      THR  91   7.662   2.706  -3.808
  225   3HG2  THR  91          3HG2      THR  91   6.041   2.016  -3.734
  226    H    GLY  92           HN       GLY  92   5.337   6.849  -2.023
  227   1HA   GLY  92          1HA       GLY  92   5.034   9.177  -2.533
  228   2HA   GLY  92          2HA       GLY  92   5.665   8.863  -4.147
  229    H    GLY  93           HN       GLY  93   3.790   6.300  -3.491
  230   1HA   GLY  93          1HA       GLY  93   1.298   6.279  -3.502
  231   2HA   GLY  93          2HA       GLY  93   1.407   7.569  -4.692
  232    H    ASP  94           HN       ASP  94   3.235   4.515  -4.425
  233    HA   ASP  94           HA       ASP  94   1.987   3.663  -6.944
  234   1HB   ASP  94          1HB       ASP  94   4.317   4.640  -7.259
  235   2HB   ASP  94          2HB       ASP  94   4.919   3.262  -6.341
  236    H    ILE  95           HN       ILE  95   1.003   1.834  -6.631
  237    HA   ILE  95           HA       ILE  95   1.287   0.270  -4.289
  238    HB   ILE  95           HB       ILE  95  -0.219  -0.096  -6.860
  239   1HG1  ILE  95          1HG1      ILE  95  -0.981   1.548  -5.151
  240   2HG1  ILE  95          2HG1      ILE  95  -2.142   0.258  -5.459
  241   1HG2  ILE  95          1HG2      ILE  95   0.424  -2.340  -6.177
  242   2HG2  ILE  95          2HG2      ILE  95  -1.298  -2.084  -5.892
  243   3HG2  ILE  95          3HG2      ILE  95  -0.164  -2.031  -4.543
  244   1HD1  ILE  95          1HD1      ILE  95  -2.008   0.726  -3.097
  245   2HD1  ILE  95          2HD1      ILE  95  -0.262   0.461  -3.123
  246   3HD1  ILE  95          3HD1      ILE  95  -1.362  -0.885  -3.426
  247    H    GLN  96           HN       GLN  96   2.074  -0.424  -7.679
  248    HA   GLN  96           HA       GLN  96   3.088  -2.998  -7.215
  249   1HB   GLN  96          1HB       GLN  96   3.653  -1.016  -9.405
  250   2HB   GLN  96          2HB       GLN  96   4.229  -2.677  -9.433
  251   1HG   GLN  96          1HG       GLN  96   1.985  -3.512  -9.469
  252   2HG   GLN  96          2HG       GLN  96   1.334  -1.892  -9.228
  253   1HE2  GLN  96          HE21      GLN  96   0.841  -3.799 -11.364
  254   2HE2  GLN  96          HE22      GLN  96   1.240  -2.972 -12.830
  255    H    ALA  97           HN       ALA  97   4.702   0.148  -7.124
  256    HA   ALA  97           HA       ALA  97   7.307  -0.953  -6.641
  257   1HB   ALA  97          1HB       ALA  97   6.268   1.813  -6.009
  258   2HB   ALA  97          2HB       ALA  97   6.959   1.315  -7.555
  259   3HB   ALA  97          3HB       ALA  97   7.962   1.320  -6.103
  260    H    ALA  98           HN       ALA  98   4.569  -0.060  -4.660
  261    HA   ALA  98           HA       ALA  98   5.934  -0.039  -2.164
  262   1HB   ALA  98          1HB       ALA  98   3.013  -0.577  -2.727
  263   2HB   ALA  98          2HB       ALA  98   3.731   1.018  -2.498
  264   3HB   ALA  98          3HB       ALA  98   3.718  -0.139  -1.168
  265    H    LEU  99           HN       LEU  99   4.344  -2.478  -4.113
  266    HA   LEU  99           HA       LEU  99   4.281  -4.608  -2.310
  267   1HB   LEU  99          1HB       LEU  99   4.820  -4.791  -5.273
  268   2HB   LEU  99          2HB       LEU  99   4.176  -6.055  -4.252
  269    HG   LEU  99           HG       LEU  99   2.822  -3.552  -5.204
  270   1HD1  LEU  99          1HD1      LEU  99   2.104  -6.469  -5.373
  271   2HD1  LEU  99          2HD1      LEU  99   2.734  -5.465  -6.679
  272   3HD1  LEU  99          3HD1      LEU  99   1.140  -5.133  -6.000
  273   1HD2  LEU  99          1HD2      LEU  99   0.909  -4.162  -3.781
  274   2HD2  LEU  99          2HD2      LEU  99   2.330  -3.670  -2.858
  275   3HD2  LEU  99          3HD2      LEU  99   1.910  -5.381  -2.989
  276    H    GLU 100           HN       GLU 100   6.908  -3.064  -3.777
  277    HA   GLU 100           HA       GLU 100   8.701  -5.347  -3.509
  278   1HB   GLU 100          1HB       GLU 100   9.153  -2.586  -4.669
  279   2HB   GLU 100          2HB       GLU 100  10.333  -3.892  -4.673
  280   1HG   GLU 100          1HG       GLU 100   7.660  -3.918  -6.062
  281   2HG   GLU 100          2HG       GLU 100   9.230  -3.668  -6.832
  282    H    LEU 101           HN       LEU 101   8.195  -2.046  -2.368
  283    HA   LEU 101           HA       LEU 101  10.297  -1.991  -0.500
  284   1HB   LEU 101          1HB       LEU 101   7.700  -0.510  -0.757
  285   2HB   LEU 101          2HB       LEU 101   8.790  -0.215   0.574
  286    HG   LEU 101           HG       LEU 101   9.379   0.207  -2.351
  287   1HD1  LEU 101          1HD1      LEU 101   9.572   2.557  -1.687
  288   2HD1  LEU 101          2HD1      LEU 101   9.070   2.125  -0.053
  289   3HD1  LEU 101          3HD1      LEU 101   7.957   1.912  -1.404
  290   1HD2  LEU 101          1HD2      LEU 101  11.154   0.636   0.045
  291   2HD2  LEU 101          2HD2      LEU 101  11.522   1.119  -1.610
  292   3HD2  LEU 101          3HD2      LEU 101  11.371  -0.591  -1.204
  293    H    ILE 102           HN       ILE 102   7.005  -3.189  -0.380
  294    HA   ILE 102           HA       ILE 102   6.940  -3.829   2.362
  295    HB   ILE 102           HB       ILE 102   5.525  -5.138   0.037
  296   1HG1  ILE 102          1HG1      ILE 102   4.353  -3.266   2.084
  297   2HG1  ILE 102          2HG1      ILE 102   5.097  -2.673   0.602
  298   1HG2  ILE 102          1HG2      ILE 102   5.665  -6.647   1.968
  299   2HG2  ILE 102          2HG2      ILE 102   4.011  -6.112   1.672
  300   3HG2  ILE 102          3HG2      ILE 102   4.944  -5.401   2.990
  301   1HD1  ILE 102          1HD1      ILE 102   2.741  -4.530   0.794
  302   2HD1  ILE 102          2HD1      ILE 102   3.501  -3.992  -0.703
  303   3HD1  ILE 102          3HD1      ILE 102   2.702  -2.823   0.348
  304    H    PHE 103           HN       PHE 103   7.670  -5.745  -0.496
  305    HA   PHE 103           HA       PHE 103   8.256  -8.149   0.797
  306   1HB   PHE 103          1HB       PHE 103   7.741  -7.974  -1.593
  307   2HB   PHE 103          2HB       PHE 103   9.266  -7.139  -1.865
  308    HD1  PHE 103           HD1      PHE 103   7.971 -10.327  -0.428
  309    HD2  PHE 103           HD2      PHE 103  11.067  -8.364  -2.587
  310    HE1  PHE 103           HE1      PHE 103   9.081 -12.490  -0.801
  311    HE2  PHE 103           HE2      PHE 103  12.181 -10.524  -2.961
  312    HZ   PHE 103           HZ       PHE 103  11.189 -12.589  -2.066
  313    H    ALA 104           HN       ALA 104  10.690  -5.973  -0.708
  314    HA   ALA 104           HA       ALA 104  12.602  -6.959   1.304
  315   1HB   ALA 104          1HB       ALA 104  13.147  -6.782  -1.652
  316   2HB   ALA 104          2HB       ALA 104  12.874  -8.267  -0.742
  317   3HB   ALA 104          3HB       ALA 104  14.294  -7.278  -0.405
  318    H    GLY 105           HN       GLY 105  11.244  -4.304  -0.172
  319   1HA   GLY 105          1HA       GLY 105  13.544  -2.610  -0.329
  320   2HA   GLY 105          2HA       GLY 105  11.866  -2.094  -0.395
  321    H    GLY 106           HN       GLY 106  11.471  -3.585   2.237
  322   1HA   GLY 106          1HA       GLY 106  11.834  -3.244   4.513
  323   2HA   GLY 106          2HA       GLY 106  13.056  -2.045   4.113
  324    H    ALA 107           HN       ALA 107  11.514  -0.405   2.460
  325    HA   ALA 107           HA       ALA 107  10.237   1.461   2.553
  326   1HB   ALA 107          1HB       ALA 107   8.010   1.302   3.495
  327   2HB   ALA 107          2HB       ALA 107   8.455  -0.165   4.365
  328   3HB   ALA 107          3HB       ALA 107   8.393  -0.169   2.601
  329    HA   PRO 108           HA       PRO 108  11.927   2.580   6.687
  330   1HB   PRO 108          1HB       PRO 108  14.087   4.015   5.707
  331   2HB   PRO 108          2HB       PRO 108  14.127   2.322   6.195
  332   1HG   PRO 108          1HG       PRO 108  14.420   3.402   3.563
  333   2HG   PRO 108          2HG       PRO 108  14.442   1.702   4.048
  334   1HD   PRO 108          1HD       PRO 108  12.264   3.290   2.859
  335   2HD   PRO 108          2HD       PRO 108  12.506   1.532   2.868
  Start of MODEL    7
    1    H    GLY  63           HT1      GLY  63  -3.051  10.148  -6.472
    2   1HA   GLY  63          1HA       GLY  63  -4.571   9.186  -4.880
    3   2HA   GLY  63          2HA       GLY  63  -3.275   8.165  -4.274
    4    H    SER  64           HN       SER  64  -4.971  10.373  -3.060
    5    HA   SER  64           HA       SER  64  -2.997  12.415  -2.459
    6   1HB   SER  64          1HB       SER  64  -5.779  12.127  -1.374
    7   2HB   SER  64          2HB       SER  64  -4.778  13.571  -1.330
    8    HG   SER  64           HG       SER  64  -4.878  13.617  -3.618
    9    H    GLN  65           HN       GLN  65  -4.879   9.983  -0.701
   10    HA   GLN  65           HA       GLN  65  -2.914  10.161   1.482
   11   1HB   GLN  65          1HB       GLN  65  -5.882   9.657   1.773
   12   2HB   GLN  65          2HB       GLN  65  -4.708   9.702   3.086
   13   1HG   GLN  65          1HG       GLN  65  -4.195  12.051   2.433
   14   2HG   GLN  65          2HG       GLN  65  -5.543  11.965   1.305
   15   1HE2  GLN  65          HE21      GLN  65  -5.117  13.690   3.617
   16   2HE2  GLN  65          HE22      GLN  65  -6.475  13.432   4.669
   17    H    TRP  66           HN       TRP  66  -3.475   8.493  -0.949
   18    HA   TRP  66           HA       TRP  66  -2.885   6.445  -1.648
   19   1HB   TRP  66          1HB       TRP  66  -2.035   6.022   1.216
   20   2HB   TRP  66          2HB       TRP  66  -1.580   5.008  -0.161
   21    HD1  TRP  66           HD1      TRP  66  -0.178   6.400  -2.152
   22    HE1  TRP  66           HE1      TRP  66   1.643   8.205  -1.883
   23    HE3  TRP  66           HE3      TRP  66  -1.168   7.837   2.651
   24    HZ2  TRP  66           HZ2      TRP  66   2.538   9.988   0.101
   25    HZ3  TRP  66           HZ3      TRP  66   0.216   9.603   3.660
   26    HH2  TRP  66           HH2      TRP  66   2.032  10.655   2.409
   27    H    GLN  67           HN       GLN  67  -5.508   6.925   0.139
   28    HA   GLN  67           HA       GLN  67  -6.258   4.281   0.804
   29   1HB   GLN  67          1HB       GLN  67  -7.724   6.864   0.565
   30   2HB   GLN  67          2HB       GLN  67  -8.635   5.362   0.698
   31   1HG   GLN  67          1HG       GLN  67  -7.547   4.827   2.775
   32   2HG   GLN  67          2HG       GLN  67  -6.508   6.247   2.629
   33   1HE2  GLN  67          HE21      GLN  67  -8.457   5.470   4.715
   34   2HE2  GLN  67          HE22      GLN  67  -9.570   6.793   4.828
   35    HA   PRO  68           HA       PRO  68  -8.391   4.333  -3.664
   36   1HB   PRO  68          1HB       PRO  68  -6.119   5.807  -4.901
   37   2HB   PRO  68          2HB       PRO  68  -7.824   5.776  -5.367
   38   1HG   PRO  68          1HG       PRO  68  -6.789   7.890  -4.111
   39   2HG   PRO  68          2HG       PRO  68  -8.432   7.328  -3.757
   40   1HD   PRO  68          1HD       PRO  68  -5.938   7.031  -2.156
   41   2HD   PRO  68          2HD       PRO  68  -7.617   7.229  -1.613
   42    H    GLN  69           HN       GLN  69  -4.928   4.578  -3.001
   43    HA   GLN  69           HA       GLN  69  -4.151   2.329  -4.530
   44   1HB   GLN  69          1HB       GLN  69  -2.854   3.837  -2.278
   45   2HB   GLN  69          2HB       GLN  69  -2.110   2.409  -2.959
   46   1HG   GLN  69          1HG       GLN  69  -1.093   3.915  -4.269
   47   2HG   GLN  69          2HG       GLN  69  -2.568   3.751  -5.208
   48   1HE2  GLN  69          HE21      GLN  69  -0.717   5.949  -5.078
   49   2HE2  GLN  69          HE22      GLN  69  -1.606   7.329  -4.546
   50    H    LEU  70           HN       LEU  70  -4.869   2.745  -1.061
   51    HA   LEU  70           HA       LEU  70  -4.556   0.117  -0.216
   52   1HB   LEU  70          1HB       LEU  70  -6.818   1.916   0.660
   53   2HB   LEU  70          2HB       LEU  70  -6.135   0.589   1.566
   54    HG   LEU  70           HG       LEU  70  -4.996   3.278   1.044
   55   1HD1  LEU  70          1HD1      LEU  70  -4.757   3.311   3.480
   56   2HD1  LEU  70          2HD1      LEU  70  -5.474   1.699   3.555
   57   3HD1  LEU  70          3HD1      LEU  70  -6.427   3.064   2.966
   58   1HD2  LEU  70          1HD2      LEU  70  -3.222   1.670   0.546
   59   2HD2  LEU  70          2HD2      LEU  70  -3.475   0.907   2.120
   60   3HD2  LEU  70          3HD2      LEU  70  -2.885   2.569   2.026
   61    H    GLN  71           HN       GLN  71  -7.233   1.654  -1.886
   62    HA   GLN  71           HA       GLN  71  -9.165  -0.291  -1.630
   63   1HB   GLN  71          1HB       GLN  71  -9.426   2.011  -2.586
   64   2HB   GLN  71          2HB       GLN  71  -8.686   1.425  -4.068
   65   1HG   GLN  71          1HG       GLN  71 -11.086   1.496  -4.271
   66   2HG   GLN  71          2HG       GLN  71 -10.505  -0.165  -4.353
   67   1HE2  GLN  71          HE21      GLN  71 -12.206   2.181  -2.435
   68   2HE2  GLN  71          HE22      GLN  71 -12.921   1.062  -1.332
   69    H    GLN  72           HN       GLN  72  -6.420  -0.142  -3.852
   70    HA   GLN  72           HA       GLN  72  -7.143  -2.269  -5.528
   71   1HB   GLN  72          1HB       GLN  72  -4.436  -1.247  -4.708
   72   2HB   GLN  72          2HB       GLN  72  -4.768  -2.259  -6.079
   73   1HG   GLN  72          1HG       GLN  72  -5.759   0.538  -5.694
   74   2HG   GLN  72          2HG       GLN  72  -4.431   0.047  -6.745
   75   1HE2  GLN  72          HE21      GLN  72  -7.872   0.078  -6.296
   76   2HE2  GLN  72          HE22      GLN  72  -8.292  -0.366  -7.916
   77    H    LEU  73           HN       LEU  73  -5.171  -2.057  -2.616
   78    HA   LEU  73           HA       LEU  73  -4.421  -4.786  -2.492
   79   1HB   LEU  73          1HB       LEU  73  -4.661  -2.869  -0.175
   80   2HB   LEU  73          2HB       LEU  73  -3.581  -4.243  -0.322
   81    HG   LEU  73           HG       LEU  73  -3.369  -1.901  -2.189
   82   1HD1  LEU  73          1HD1      LEU  73  -2.034  -2.205   0.493
   83   2HD1  LEU  73          2HD1      LEU  73  -3.265  -1.011   0.074
   84   3HD1  LEU  73          3HD1      LEU  73  -1.681  -0.960  -0.704
   85   1HD2  LEU  73          1HD2      LEU  73  -2.195  -3.942  -2.810
   86   2HD2  LEU  73          2HD2      LEU  73  -1.407  -3.980  -1.234
   87   3HD2  LEU  73          3HD2      LEU  73  -1.053  -2.675  -2.364
   88    H    ARG  74           HN       ARG  74  -6.917  -2.876  -0.903
   89    HA   ARG  74           HA       ARG  74  -8.064  -4.814   0.719
   90   1HB   ARG  74          1HB       ARG  74  -9.332  -2.472  -0.703
   91   2HB   ARG  74          2HB       ARG  74 -10.111  -3.392   0.578
   92   1HG   ARG  74          1HG       ARG  74  -8.704  -2.570   2.210
   93   2HG   ARG  74          2HG       ARG  74  -7.433  -2.172   1.055
   94   1HD   ARG  74          1HD       ARG  74  -8.445  -0.120   1.842
   95   2HD   ARG  74          2HD       ARG  74  -8.865  -0.381   0.149
   96    HE   ARG  74           HE       ARG  74 -10.975  -1.483   1.384
   97   1HH1  ARG  74          1HH1      ARG  74  -9.373   1.587   1.936
   98   2HH1  ARG  74          2HH1      ARG  74 -10.841   2.428   2.338
   99   1HH2  ARG  74          1HH2      ARG  74 -12.896  -0.409   1.922
  100   2HH2  ARG  74          2HH2      ARG  74 -12.863   1.291   2.306
  101    H    ASP  75           HN       ASP  75  -8.477  -4.166  -2.699
  102    HA   ASP  75           HA       ASP  75 -10.666  -5.941  -3.116
  103   1HB   ASP  75          1HB       ASP  75 -10.163  -4.132  -4.694
  104   2HB   ASP  75          2HB       ASP  75  -8.611  -4.877  -5.065
  105    H    MET  76           HN       MET  76  -7.198  -6.306  -3.020
  106    HA   MET  76           HA       MET  76  -7.192  -8.898  -4.285
  107   1HB   MET  76          1HB       MET  76  -5.030  -7.420  -2.776
  108   2HB   MET  76          2HB       MET  76  -4.791  -8.921  -3.656
  109   1HG   MET  76          1HG       MET  76  -5.320  -7.817  -5.740
  110   2HG   MET  76          2HG       MET  76  -5.678  -6.321  -4.882
  111   1HE   MET  76          1HE       MET  76  -1.462  -8.203  -5.020
  112   2HE   MET  76          2HE       MET  76  -2.855  -8.909  -5.839
  113   3HE   MET  76          3HE       MET  76  -2.800  -8.857  -4.078
  114    H    GLY  77           HN       GLY  77  -7.805  -7.700  -1.191
  115   1HA   GLY  77          1HA       GLY  77  -8.644  -9.070   0.553
  116   2HA   GLY  77          2HA       GLY  77  -7.728 -10.422  -0.103
  117    H    ILE  78           HN       ILE  78  -6.190  -7.346   0.194
  118    HA   ILE  78           HA       ILE  78  -4.319  -8.454   2.111
  119    HB   ILE  78           HB       ILE  78  -4.284  -5.669   0.950
  120   1HG1  ILE  78          1HG1      ILE  78  -4.338  -7.175  -0.934
  121   2HG1  ILE  78          2HG1      ILE  78  -2.694  -6.581  -0.743
  122   1HG2  ILE  78          1HG2      ILE  78  -2.087  -7.417   2.054
  123   2HG2  ILE  78          2HG2      ILE  78  -2.836  -6.050   2.882
  124   3HG2  ILE  78          3HG2      ILE  78  -1.892  -5.785   1.414
  125   1HD1  ILE  78          1HD1      ILE  78  -2.084  -8.698   0.354
  126   2HD1  ILE  78          2HD1      ILE  78  -2.683  -8.930  -1.289
  127   3HD1  ILE  78          3HD1      ILE  78  -3.728  -9.282   0.087
  128    H    GLN  79           HN       GLN  79  -4.320  -8.026   4.231
  129    HA   GLN  79           HA       GLN  79  -6.232  -6.019   5.221
  130   1HB   GLN  79          1HB       GLN  79  -6.448  -8.426   5.934
  131   2HB   GLN  79          2HB       GLN  79  -4.916  -8.242   6.775
  132   1HG   GLN  79          1HG       GLN  79  -6.834  -8.011   8.265
  133   2HG   GLN  79          2HG       GLN  79  -5.857  -6.544   8.201
  134   1HE2  GLN  79          HE21      GLN  79  -8.856  -8.038   7.180
  135   2HE2  GLN  79          HE22      GLN  79  -9.694  -6.559   6.843
  136    H    ASP  80           HN       ASP  80  -2.962  -6.570   4.726
  137    HA   ASP  80           HA       ASP  80  -2.001  -5.005   6.951
  138   1HB   ASP  80          1HB       ASP  80  -0.536  -6.100   4.536
  139   2HB   ASP  80          2HB       ASP  80   0.217  -5.379   5.952
  140    H    ASP  81           HN       ASP  81  -3.817  -3.562   5.604
  141    HA   ASP  81           HA       ASP  81  -2.971  -1.898   3.534
  142   1HB   ASP  81          1HB       ASP  81  -4.907  -1.431   5.804
  143   2HB   ASP  81          2HB       ASP  81  -4.625  -0.232   4.549
  144    H    GLU  82           HN       GLU  82  -2.662  -1.527   7.043
  145    HA   GLU  82           HA       GLU  82  -1.581   1.091   6.947
  146   1HB   GLU  82          1HB       GLU  82  -2.601  -0.066   8.960
  147   2HB   GLU  82          2HB       GLU  82  -1.082  -0.939   9.122
  148   1HG   GLU  82          1HG       GLU  82   0.119   1.080   9.524
  149   2HG   GLU  82          2HG       GLU  82  -1.292   2.058   9.122
  150    H    LEU  83           HN       LEU  83  -0.123  -2.111   7.079
  151    HA   LEU  83           HA       LEU  83   2.569  -1.485   6.982
  152   1HB   LEU  83          1HB       LEU  83   1.911  -3.765   7.162
  153   2HB   LEU  83          2HB       LEU  83   0.897  -3.655   5.752
  154    HG   LEU  83           HG       LEU  83   3.127  -5.009   5.649
  155   1HD1  LEU  83          1HD1      LEU  83   2.309  -3.098   3.481
  156   2HD1  LEU  83          2HD1      LEU  83   1.587  -4.671   3.814
  157   3HD1  LEU  83          3HD1      LEU  83   3.263  -4.569   3.270
  158   1HD2  LEU  83          1HD2      LEU  83   4.149  -2.230   5.083
  159   2HD2  LEU  83          2HD2      LEU  83   5.030  -3.738   4.826
  160   3HD2  LEU  83          3HD2      LEU  83   4.598  -3.238   6.461
  161    H    SER  84           HN       SER  84   0.339  -1.879   4.228
  162    HA   SER  84           HA       SER  84   2.309  -1.252   2.310
  163   1HB   SER  84          1HB       SER  84   0.210  -2.587   1.920
  164   2HB   SER  84          2HB       SER  84  -0.675  -1.066   1.923
  165    HG   SER  84           HG       SER  84   0.850  -0.417   0.213
  166    H    LEU  85           HN       LEU  85  -0.179   0.682   3.901
  167    HA   LEU  85           HA       LEU  85  -0.093   3.063   2.517
  168   1HB   LEU  85          1HB       LEU  85  -1.342   2.302   4.698
  169   2HB   LEU  85          2HB       LEU  85   0.011   3.059   5.503
  170    HG   LEU  85           HG       LEU  85  -1.913   4.560   5.403
  171   1HD1  LEU  85          1HD1      LEU  85   0.264   5.600   5.394
  172   2HD1  LEU  85          2HD1      LEU  85  -0.842   6.515   4.366
  173   3HD1  LEU  85          3HD1      LEU  85   0.358   5.444   3.639
  174   1HD2  LEU  85          1HD2      LEU  85  -2.943   3.692   3.372
  175   2HD2  LEU  85          2HD2      LEU  85  -1.626   4.368   2.411
  176   3HD2  LEU  85          3HD2      LEU  85  -2.722   5.440   3.285
  177    H    ARG  86           HN       ARG  86   2.256   1.739   4.736
  178    HA   ARG  86           HA       ARG  86   3.792   4.149   4.993
  179   1HB   ARG  86          1HB       ARG  86   4.513   1.287   5.676
  180   2HB   ARG  86          2HB       ARG  86   5.423   2.713   6.164
  181   1HG   ARG  86          1HG       ARG  86   3.586   3.489   7.506
  182   2HG   ARG  86          2HG       ARG  86   2.563   2.174   6.929
  183   1HD   ARG  86          1HD       ARG  86   4.191   0.574   7.939
  184   2HD   ARG  86          2HD       ARG  86   5.026   1.955   8.647
  185    HE   ARG  86           HE       ARG  86   2.350   2.155   9.374
  186   1HH1  ARG  86          1HH1      ARG  86   5.044  -0.014   9.922
  187   2HH1  ARG  86          2HH1      ARG  86   4.458  -0.561  11.467
  188   1HH2  ARG  86          1HH2      ARG  86   1.561   1.416  11.401
  189   2HH2  ARG  86          2HH2      ARG  86   2.476   0.235  12.293
  190    H    ALA  87           HN       ALA  87   3.971   1.217   3.056
  191    HA   ALA  87           HA       ALA  87   6.412   1.860   1.741
  192   1HB   ALA  87          1HB       ALA  87   5.568  -0.422   1.839
  193   2HB   ALA  87          2HB       ALA  87   5.758   0.099   0.163
  194   3HB   ALA  87          3HB       ALA  87   4.153   0.048   0.897
  195    H    LEU  88           HN       LEU  88   3.030   2.544   1.212
  196    HA   LEU  88           HA       LEU  88   3.178   3.724  -1.333
  197   1HB   LEU  88          1HB       LEU  88   1.310   3.813   0.971
  198   2HB   LEU  88          2HB       LEU  88   1.178   5.107  -0.200
  199    HG   LEU  88           HG       LEU  88  -0.399   3.266  -0.600
  200   1HD1  LEU  88          1HD1      LEU  88   0.043   3.039  -2.993
  201   2HD1  LEU  88          2HD1      LEU  88   1.691   3.615  -2.743
  202   3HD1  LEU  88          3HD1      LEU  88   0.326   4.690  -2.440
  203   1HD2  LEU  88          1HD2      LEU  88   0.925   1.383   0.140
  204   2HD2  LEU  88          2HD2      LEU  88   2.072   1.645  -1.174
  205   3HD2  LEU  88          3HD2      LEU  88   0.416   1.153  -1.531
  206    H    GLN  89           HN       GLN  89   3.287   5.194   1.904
  207    HA   GLN  89           HA       GLN  89   3.783   7.822   1.223
  208   1HB   GLN  89          1HB       GLN  89   4.885   6.229   3.544
  209   2HB   GLN  89          2HB       GLN  89   4.941   7.977   3.426
  210   1HG   GLN  89          1HG       GLN  89   2.545   8.112   3.485
  211   2HG   GLN  89          2HG       GLN  89   2.412   6.354   3.444
  212   1HE2  GLN  89          HE21      GLN  89   3.229   9.134   5.368
  213   2HE2  GLN  89          HE22      GLN  89   3.214   8.322   6.898
  214    H    ALA  90           HN       ALA  90   6.049   5.123   1.421
  215    HA   ALA  90           HA       ALA  90   8.383   6.731   1.100
  216   1HB   ALA  90          1HB       ALA  90   8.385   4.557   2.244
  217   2HB   ALA  90          2HB       ALA  90   9.576   4.639   0.947
  218   3HB   ALA  90          3HB       ALA  90   8.064   3.765   0.703
  219    H    THR  91           HN       THR  91   6.176   5.215  -1.126
  220    HA   THR  91           HA       THR  91   8.066   5.478  -3.340
  221    HB   THR  91           HB       THR  91   6.213   4.402  -4.676
  222    HG1  THR  91           HG1      THR  91   5.021   3.574  -2.283
  223   1HG2  THR  91          1HG2      THR  91   7.205   2.917  -2.245
  224   2HG2  THR  91          2HG2      THR  91   8.069   3.103  -3.773
  225   3HG2  THR  91          3HG2      THR  91   6.567   2.176  -3.715
  226    H    GLY  92           HN       GLY  92   5.470   7.148  -1.900
  227   1HA   GLY  92          1HA       GLY  92   4.882   9.375  -2.531
  228   2HA   GLY  92          2HA       GLY  92   5.350   8.993  -4.184
  229    H    GLY  93           HN       GLY  93   3.871   6.325  -3.568
  230   1HA   GLY  93          1HA       GLY  93   1.368   6.092  -3.221
  231   2HA   GLY  93          2HA       GLY  93   1.249   7.369  -4.420
  232    H    ASP  94           HN       ASP  94   3.412   4.562  -4.338
  233    HA   ASP  94           HA       ASP  94   2.224   3.706  -6.892
  234   1HB   ASP  94          1HB       ASP  94   4.565   4.640  -7.046
  235   2HB   ASP  94          2HB       ASP  94   5.100   3.301  -6.035
  236    H    ILE  95           HN       ILE  95   1.132   1.921  -6.646
  237    HA   ILE  95           HA       ILE  95   1.247   0.251  -4.376
  238    HB   ILE  95           HB       ILE  95  -0.066  -0.004  -7.068
  239   1HG1  ILE  95          1HG1      ILE  95  -0.868   1.631  -5.338
  240   2HG1  ILE  95          2HG1      ILE  95  -2.068   0.446  -5.852
  241   1HG2  ILE  95          1HG2      ILE  95  -1.270  -1.977  -6.227
  242   2HG2  ILE  95          2HG2      ILE  95  -0.245  -1.981  -4.793
  243   3HG2  ILE  95          3HG2      ILE  95   0.461  -2.277  -6.380
  244   1HD1  ILE  95          1HD1      ILE  95  -2.161   0.765  -3.459
  245   2HD1  ILE  95          2HD1      ILE  95  -0.447   0.368  -3.322
  246   3HD1  ILE  95          3HD1      ILE  95  -1.601  -0.866  -3.829
  247    H    GLN  96           HN       GLN  96   2.288  -0.262  -7.719
  248    HA   GLN  96           HA       GLN  96   3.227  -2.872  -7.376
  249   1HB   GLN  96          1HB       GLN  96   3.990  -0.734  -9.347
  250   2HB   GLN  96          2HB       GLN  96   4.556  -2.396  -9.454
  251   1HG   GLN  96          1HG       GLN  96   2.291  -3.190  -9.682
  252   2HG   GLN  96          2HG       GLN  96   1.669  -1.557  -9.462
  253   1HE2  GLN  96          HE21      GLN  96   4.536  -2.257 -11.317
  254   2HE2  GLN  96          HE22      GLN  96   3.870  -1.870 -12.866
  255    H    ALA  97           HN       ALA  97   4.872   0.225  -6.949
  256    HA   ALA  97           HA       ALA  97   7.430  -0.963  -6.437
  257   1HB   ALA  97          1HB       ALA  97   8.116   1.268  -5.752
  258   2HB   ALA  97          2HB       ALA  97   6.435   1.802  -5.743
  259   3HB   ALA  97          3HB       ALA  97   7.206   1.337  -7.260
  260    H    ALA  98           HN       ALA  98   4.657  -0.111  -4.490
  261    HA   ALA  98           HA       ALA  98   5.884  -0.225  -1.946
  262   1HB   ALA  98          1HB       ALA  98   3.024  -0.846  -2.689
  263   2HB   ALA  98          2HB       ALA  98   3.666   0.759  -2.333
  264   3HB   ALA  98          3HB       ALA  98   3.626  -0.478  -1.072
  265    H    LEU  99           HN       LEU  99   4.181  -2.709  -3.872
  266    HA   LEU  99           HA       LEU  99   4.509  -4.829  -2.085
  267   1HB   LEU  99          1HB       LEU  99   4.096  -4.660  -5.039
  268   2HB   LEU  99          2HB       LEU  99   4.461  -6.212  -4.310
  269    HG   LEU  99           HG       LEU  99   2.487  -5.846  -2.789
  270   1HD1  LEU  99          1HD1      LEU  99   1.860  -3.639  -4.732
  271   2HD1  LEU  99          2HD1      LEU  99   2.279  -3.436  -3.031
  272   3HD1  LEU  99          3HD1      LEU  99   0.783  -4.257  -3.478
  273   1HD2  LEU  99          1HD2      LEU  99   0.856  -6.522  -4.477
  274   2HD2  LEU  99          2HD2      LEU  99   2.402  -7.337  -4.718
  275   3HD2  LEU  99          3HD2      LEU  99   1.948  -5.981  -5.751
  276    H    GLU 100           HN       GLU 100   6.909  -3.132  -3.622
  277    HA   GLU 100           HA       GLU 100   8.772  -5.386  -3.728
  278   1HB   GLU 100          1HB       GLU 100   9.236  -2.467  -4.400
  279   2HB   GLU 100          2HB       GLU 100  10.366  -3.784  -4.670
  280   1HG   GLU 100          1HG       GLU 100   8.828  -4.774  -6.285
  281   2HG   GLU 100          2HG       GLU 100   7.698  -3.443  -6.022
  282    H    LEU 101           HN       LEU 101   8.413  -2.168  -2.328
  283    HA   LEU 101           HA       LEU 101  10.402  -2.212  -0.409
  284   1HB   LEU 101          1HB       LEU 101   7.692  -0.920  -0.548
  285   2HB   LEU 101          2HB       LEU 101   8.752  -0.652   0.810
  286    HG   LEU 101           HG       LEU 101   9.314   0.063  -2.064
  287   1HD1  LEU 101          1HD1      LEU 101   7.705   1.520  -0.980
  288   2HD1  LEU 101          2HD1      LEU 101   9.238   2.358  -1.226
  289   3HD1  LEU 101          3HD1      LEU 101   8.808   1.756   0.375
  290   1HD2  LEU 101          1HD2      LEU 101  11.361  -0.629  -0.937
  291   2HD2  LEU 101          2HD2      LEU 101  11.004   0.470   0.399
  292   3HD2  LEU 101          3HD2      LEU 101  11.350   1.117  -1.205
  293    H    ILE 102           HN       ILE 102   7.025  -3.269  -0.158
  294    HA   ILE 102           HA       ILE 102   7.062  -4.079   2.513
  295    HB   ILE 102           HB       ILE 102   5.428  -5.202   0.243
  296   1HG1  ILE 102          1HG1      ILE 102   4.546  -3.178   2.287
  297   2HG1  ILE 102          2HG1      ILE 102   5.346  -2.684   0.796
  298   1HG2  ILE 102          1HG2      ILE 102   3.886  -5.993   1.936
  299   2HG2  ILE 102          2HG2      ILE 102   4.900  -5.327   3.216
  300   3HG2  ILE 102          3HG2      ILE 102   5.489  -6.670   2.232
  301   1HD1  ILE 102          1HD1      ILE 102   2.762  -4.207   1.031
  302   2HD1  ILE 102          2HD1      ILE 102   3.584  -3.830  -0.484
  303   3HD1  ILE 102          3HD1      ILE 102   2.966  -2.524   0.533
  304    H    PHE 103           HN       PHE 103   7.603  -5.924  -0.441
  305    HA   PHE 103           HA       PHE 103   7.979  -8.415   0.818
  306   1HB   PHE 103          1HB       PHE 103   7.365  -8.204  -1.539
  307   2HB   PHE 103          2HB       PHE 103   8.928  -7.478  -1.892
  308    HD1  PHE 103           HD1      PHE 103   7.406 -10.575  -0.504
  309    HD2  PHE 103           HD2      PHE 103  10.679  -8.814  -2.575
  310    HE1  PHE 103           HE1      PHE 103   8.343 -12.813  -0.918
  311    HE2  PHE 103           HE2      PHE 103  11.620 -11.047  -2.995
  312    HZ   PHE 103           HZ       PHE 103  10.454 -13.052  -2.145
  313    H    ALA 104           HN       ALA 104  10.416  -6.138  -0.511
  314    HA   ALA 104           HA       ALA 104  12.403  -7.324   1.271
  315   1HB   ALA 104          1HB       ALA 104  12.424  -8.738  -0.735
  316   2HB   ALA 104          2HB       ALA 104  13.949  -7.885  -0.497
  317   3HB   ALA 104          3HB       ALA 104  12.802  -7.320  -1.711
  318    H    GLY 105           HN       GLY 105  11.461  -4.775  -0.918
  319   1HA   GLY 105          1HA       GLY 105  13.847  -3.349  -1.115
  320   2HA   GLY 105          2HA       GLY 105  12.241  -2.650  -1.239
  321    H    GLY 106           HN       GLY 106  11.460  -3.401   1.449
  322   1HA   GLY 106          1HA       GLY 106  11.587  -2.629   3.613
  323   2HA   GLY 106          2HA       GLY 106  13.282  -2.268   3.328
  324    H    ALA 107           HN       ALA 107  13.891  -0.239   2.658
  325    HA   ALA 107           HA       ALA 107  11.823   1.797   2.346
  326   1HB   ALA 107          1HB       ALA 107  12.408   1.774   4.736
  327   2HB   ALA 107          2HB       ALA 107  12.880   3.282   3.955
  328   3HB   ALA 107          3HB       ALA 107  14.096   2.057   4.315
  329    HA   PRO 108           HA       PRO 108  14.684   3.223  -0.742
  330   1HB   PRO 108          1HB       PRO 108  13.481   5.869  -0.597
  331   2HB   PRO 108          2HB       PRO 108  13.349   4.662  -1.876
  332   1HG   PRO 108          1HG       PRO 108  11.271   5.356  -0.272
  333   2HG   PRO 108          2HG       PRO 108  11.444   3.745  -0.992
  334   1HD   PRO 108          1HD       PRO 108  12.085   4.661   1.790
  335   2HD   PRO 108          2HD       PRO 108  11.305   3.157   1.250
  Start of MODEL    8
    1    H    GLY  63           HT1      GLY  63  -9.773  10.921   2.652
    2   1HA   GLY  63          1HA       GLY  63 -10.557   8.620   4.350
    3   2HA   GLY  63          2HA       GLY  63 -10.071   8.486   2.666
    4    H    SER  64           HN       SER  64  -7.926   9.552   2.164
    5    HA   SER  64           HA       SER  64  -5.979   9.939   4.162
    6   1HB   SER  64          1HB       SER  64  -6.315   7.454   4.420
    7   2HB   SER  64          2HB       SER  64  -5.787   7.262   2.751
    8    HG   SER  64           HG       SER  64  -4.327   7.722   5.033
    9    H    GLN  65           HN       GLN  65  -3.702   9.093   2.668
   10    HA   GLN  65           HA       GLN  65  -3.921  10.980   0.482
   11   1HB   GLN  65          1HB       GLN  65  -1.480   9.576   1.556
   12   2HB   GLN  65          2HB       GLN  65  -1.494  10.893   0.387
   13   1HG   GLN  65          1HG       GLN  65  -2.490  11.049   3.205
   14   2HG   GLN  65          2HG       GLN  65  -0.940  11.659   2.639
   15   1HE2  GLN  65          HE21      GLN  65  -2.051  12.652   0.124
   16   2HE2  GLN  65          HE22      GLN  65  -2.972  14.060   0.535
   17    H    TRP  66           HN       TRP  66  -3.006   7.629   1.116
   18    HA   TRP  66           HA       TRP  66  -3.567   7.045  -1.712
   19   1HB   TRP  66          1HB       TRP  66  -1.800   5.162  -0.288
   20   2HB   TRP  66          2HB       TRP  66  -1.755   5.719  -1.945
   21    HD1  TRP  66           HD1      TRP  66  -0.018   6.040   1.206
   22    HE1  TRP  66           HE1      TRP  66   1.762   7.920   1.108
   23    HE3  TRP  66           HE3      TRP  66  -1.553   8.321  -3.056
   24    HZ2  TRP  66           HZ2      TRP  66   2.408  10.081  -0.599
   25    HZ3  TRP  66           HZ3      TRP  66  -0.311  10.281  -3.883
   26    HH2  TRP  66           HH2      TRP  66   1.626  11.147  -2.670
   27    H    GLN  67           HN       GLN  67  -5.417   6.987   0.531
   28    HA   GLN  67           HA       GLN  67  -5.845   4.357   1.407
   29   1HB   GLN  67          1HB       GLN  67  -7.006   6.398   2.299
   30   2HB   GLN  67          2HB       GLN  67  -8.030   6.362   0.867
   31   1HG   GLN  67          1HG       GLN  67  -8.798   4.123   1.476
   32   2HG   GLN  67          2HG       GLN  67  -7.780   4.169   2.915
   33   1HE2  GLN  67          HE21      GLN  67 -10.639   5.391   1.381
   34   2HE2  GLN  67          HE22      GLN  67 -11.337   6.120   2.795
   35    HA   PRO  68           HA       PRO  68  -8.444   3.924  -2.825
   36   1HB   PRO  68          1HB       PRO  68  -6.509   5.637  -4.306
   37   2HB   PRO  68          2HB       PRO  68  -8.222   5.342  -4.625
   38   1HG   PRO  68          1HG       PRO  68  -7.429   7.626  -3.512
   39   2HG   PRO  68          2HG       PRO  68  -8.920   6.824  -2.983
   40   1HD   PRO  68          1HD       PRO  68  -6.267   6.971  -1.643
   41   2HD   PRO  68          2HD       PRO  68  -7.891   6.928  -0.932
   42    H    GLN  69           HN       GLN  69  -4.942   4.342  -2.291
   43    HA   GLN  69           HA       GLN  69  -4.292   2.247  -4.164
   44   1HB   GLN  69          1HB       GLN  69  -2.741   3.983  -2.321
   45   2HB   GLN  69          2HB       GLN  69  -2.028   2.455  -2.781
   46   1HG   GLN  69          1HG       GLN  69  -1.224   4.131  -4.257
   47   2HG   GLN  69          2HG       GLN  69  -2.311   3.081  -5.146
   48   1HE2  GLN  69          HE21      GLN  69  -3.252   5.668  -2.964
   49   2HE2  GLN  69          HE22      GLN  69  -3.983   6.669  -4.176
   50    H    LEU  70           HN       LEU  70  -4.623   2.586  -0.655
   51    HA   LEU  70           HA       LEU  70  -3.979  -0.002   0.141
   52   1HB   LEU  70          1HB       LEU  70  -6.416   1.434   1.172
   53   2HB   LEU  70          2HB       LEU  70  -5.400   0.293   2.026
   54    HG   LEU  70           HG       LEU  70  -4.825   3.149   1.354
   55   1HD1  LEU  70          1HD1      LEU  70  -6.130   2.764   3.356
   56   2HD1  LEU  70          2HD1      LEU  70  -4.512   3.330   3.773
   57   3HD1  LEU  70          3HD1      LEU  70  -4.920   1.624   3.944
   58   1HD2  LEU  70          1HD2      LEU  70  -2.603   2.859   2.245
   59   2HD2  LEU  70          2HD2      LEU  70  -2.837   1.798   0.857
   60   3HD2  LEU  70          3HD2      LEU  70  -2.901   1.139   2.493
   61    H    GLN  71           HN       GLN  71  -6.965   1.318  -1.160
   62    HA   GLN  71           HA       GLN  71  -8.569  -0.937  -0.925
   63   1HB   GLN  71          1HB       GLN  71  -8.646   1.452  -2.726
   64   2HB   GLN  71          2HB       GLN  71  -9.821   0.158  -2.908
   65   1HG   GLN  71          1HG       GLN  71  -9.343   1.700  -0.368
   66   2HG   GLN  71          2HG       GLN  71 -10.630   2.028  -1.530
   67   1HE2  GLN  71          HE21      GLN  71 -12.308   0.535  -1.764
   68   2HE2  GLN  71          HE22      GLN  71 -12.657  -0.644  -0.547
   69    H    GLN  72           HN       GLN  72  -6.020  -0.319  -3.229
   70    HA   GLN  72           HA       GLN  72  -6.931  -2.157  -5.195
   71   1HB   GLN  72          1HB       GLN  72  -5.364  -0.657  -6.007
   72   2HB   GLN  72          2HB       GLN  72  -4.404  -0.736  -4.544
   73   1HG   GLN  72          1HG       GLN  72  -3.244  -1.712  -6.431
   74   2HG   GLN  72          2HG       GLN  72  -3.565  -2.876  -5.152
   75   1HE2  GLN  72          HE21      GLN  72  -6.095  -1.854  -7.326
   76   2HE2  GLN  72          HE22      GLN  72  -6.203  -3.346  -8.206
   77    H    LEU  73           HN       LEU  73  -4.662  -2.315  -2.484
   78    HA   LEU  73           HA       LEU  73  -4.128  -5.099  -2.865
   79   1HB   LEU  73          1HB       LEU  73  -3.633  -3.436  -0.398
   80   2HB   LEU  73          2HB       LEU  73  -2.862  -4.955  -0.818
   81    HG   LEU  73           HG       LEU  73  -2.462  -2.267  -2.116
   82   1HD1  LEU  73          1HD1      LEU  73  -1.180  -2.665  -0.097
   83   2HD1  LEU  73          2HD1      LEU  73  -0.128  -2.651  -1.512
   84   3HD1  LEU  73          3HD1      LEU  73  -0.572  -4.184  -0.762
   85   1HD2  LEU  73          1HD2      LEU  73  -1.466  -4.953  -3.060
   86   2HD2  LEU  73          2HD2      LEU  73  -0.966  -3.386  -3.699
   87   3HD2  LEU  73          3HD2      LEU  73  -2.637  -3.920  -3.882
   88    H    ARG  74           HN       ARG  74  -6.285  -3.180  -0.872
   89    HA   ARG  74           HA       ARG  74  -7.296  -5.304   0.701
   90   1HB   ARG  74          1HB       ARG  74  -8.539  -2.663  -0.056
   91   2HB   ARG  74          2HB       ARG  74  -9.176  -3.758   1.169
   92   1HG   ARG  74          1HG       ARG  74  -7.330  -3.435   2.574
   93   2HG   ARG  74          2HG       ARG  74  -6.380  -2.701   1.285
   94   1HD   ARG  74          1HD       ARG  74  -7.053  -0.883   2.607
   95   2HD   ARG  74          2HD       ARG  74  -8.180  -0.887   1.253
   96    HE   ARG  74           HE       ARG  74  -9.590  -2.293   2.965
   97   1HH1  ARG  74          1HH1      ARG  74  -7.658   0.566   3.592
   98   2HH1  ARG  74          2HH1      ARG  74  -8.663   1.124   4.894
   99   1HH2  ARG  74          1HH2      ARG  74 -10.918  -1.570   4.657
  100   2HH2  ARG  74          2HH2      ARG  74 -10.531  -0.105   5.512
  101    H    ASP  75           HN       ASP  75  -7.943  -4.192  -2.517
  102    HA   ASP  75           HA       ASP  75 -10.351  -5.683  -2.922
  103   1HB   ASP  75          1HB       ASP  75  -9.706  -3.761  -4.359
  104   2HB   ASP  75          2HB       ASP  75  -8.342  -4.693  -4.964
  105    H    MET  76           HN       MET  76  -6.900  -6.225  -3.464
  106    HA   MET  76           HA       MET  76  -7.117  -8.778  -4.653
  107   1HB   MET  76          1HB       MET  76  -4.892  -7.657  -2.934
  108   2HB   MET  76          2HB       MET  76  -4.769  -9.095  -3.935
  109   1HG   MET  76          1HG       MET  76  -5.126  -7.742  -5.931
  110   2HG   MET  76          2HG       MET  76  -5.264  -6.299  -4.929
  111   1HE   MET  76          1HE       MET  76  -1.386  -8.767  -5.383
  112   2HE   MET  76          2HE       MET  76  -2.872  -9.112  -6.268
  113   3HE   MET  76          3HE       MET  76  -2.810  -9.354  -4.523
  114    H    GLY  77           HN       GLY  77  -7.047  -7.699  -1.315
  115   1HA   GLY  77          1HA       GLY  77  -8.414  -9.201   0.182
  116   2HA   GLY  77          2HA       GLY  77  -7.395 -10.496  -0.432
  117    H    ILE  78           HN       ILE  78  -5.629  -7.687  -0.175
  118    HA   ILE  78           HA       ILE  78  -4.097  -8.699   2.027
  119    HB   ILE  78           HB       ILE  78  -3.869  -6.282   0.240
  120   1HG1  ILE  78          1HG1      ILE  78  -2.079  -7.323  -0.742
  121   2HG1  ILE  78          2HG1      ILE  78  -1.645  -8.222   0.705
  122   1HG2  ILE  78          1HG2      ILE  78  -1.804  -5.650   1.399
  123   2HG2  ILE  78          2HG2      ILE  78  -2.115  -6.888   2.614
  124   3HG2  ILE  78          3HG2      ILE  78  -3.215  -5.521   2.448
  125   1HD1  ILE  78          1HD1      ILE  78  -2.364  -9.714  -1.038
  126   2HD1  ILE  78          2HD1      ILE  78  -3.885  -8.837  -1.207
  127   3HD1  ILE  78          3HD1      ILE  78  -3.543  -9.731   0.275
  128    H    GLN  79           HN       GLN  79  -4.561  -8.347   4.071
  129    HA   GLN  79           HA       GLN  79  -6.480  -6.303   4.830
  130   1HB   GLN  79          1HB       GLN  79  -6.635  -8.582   5.739
  131   2HB   GLN  79          2HB       GLN  79  -5.052  -8.398   6.474
  132   1HG   GLN  79          1HG       GLN  79  -5.962  -6.537   7.839
  133   2HG   GLN  79          2HG       GLN  79  -7.557  -6.892   7.174
  134   1HE2  GLN  79          HE21      GLN  79  -8.635  -8.750   7.821
  135   2HE2  GLN  79          HE22      GLN  79  -8.127  -9.691   9.183
  136    H    ASP  80           HN       ASP  80  -3.130  -6.526   4.584
  137    HA   ASP  80           HA       ASP  80  -2.477  -4.851   6.838
  138   1HB   ASP  80          1HB       ASP  80  -0.748  -5.743   4.517
  139   2HB   ASP  80          2HB       ASP  80  -0.176  -4.984   5.995
  140    H    ASP  81           HN       ASP  81  -4.126  -3.244   5.943
  141    HA   ASP  81           HA       ASP  81  -3.368  -1.708   3.645
  142   1HB   ASP  81          1HB       ASP  81  -5.290  -0.338   4.113
  143   2HB   ASP  81          2HB       ASP  81  -5.737  -2.020   4.373
  144    H    GLU  82           HN       GLU  82  -3.147  -1.244   7.158
  145    HA   GLU  82           HA       GLU  82  -2.134   1.392   7.055
  146   1HB   GLU  82          1HB       GLU  82  -1.383   1.033   9.350
  147   2HB   GLU  82          2HB       GLU  82  -3.011   0.412   9.129
  148   1HG   GLU  82          1HG       GLU  82  -2.161  -1.856   9.018
  149   2HG   GLU  82          2HG       GLU  82  -0.506  -1.260   9.144
  150    H    LEU  83           HN       LEU  83  -0.677  -1.751   6.847
  151    HA   LEU  83           HA       LEU  83   2.034  -1.052   6.765
  152   1HB   LEU  83          1HB       LEU  83   1.429  -3.337   7.010
  153   2HB   LEU  83          2HB       LEU  83   0.355  -3.273   5.640
  154    HG   LEU  83           HG       LEU  83   2.544  -4.613   5.444
  155   1HD1  LEU  83          1HD1      LEU  83   2.734  -4.012   3.058
  156   2HD1  LEU  83          2HD1      LEU  83   1.679  -2.624   3.360
  157   3HD1  LEU  83          3HD1      LEU  83   1.072  -4.265   3.599
  158   1HD2  LEU  83          1HD2      LEU  83   4.061  -2.901   6.294
  159   2HD2  LEU  83          2HD2      LEU  83   3.625  -1.840   4.953
  160   3HD2  LEU  83          3HD2      LEU  83   4.472  -3.357   4.639
  161    H    SER  84           HN       SER  84  -0.357  -1.461   4.187
  162    HA   SER  84           HA       SER  84   1.325  -0.999   2.029
  163   1HB   SER  84          1HB       SER  84  -0.781  -2.027   1.660
  164   2HB   SER  84          2HB       SER  84  -1.644  -0.668   2.367
  165    HG   SER  84           HG       SER  84  -0.036  -0.023   0.231
  166    H    LEU  85           HN       LEU  85  -0.752   1.315   3.778
  167    HA   LEU  85           HA       LEU  85  -0.413   3.546   2.179
  168   1HB   LEU  85          1HB       LEU  85  -1.728   3.110   4.440
  169   2HB   LEU  85          2HB       LEU  85  -0.321   3.866   5.143
  170    HG   LEU  85           HG       LEU  85  -2.066   5.509   4.893
  171   1HD1  LEU  85          1HD1      LEU  85  -0.953   7.224   3.685
  172   2HD1  LEU  85          2HD1      LEU  85  -0.049   6.043   2.735
  173   3HD1  LEU  85          3HD1      LEU  85   0.275   6.220   4.464
  174   1HD2  LEU  85          1HD2      LEU  85  -2.067   4.811   1.966
  175   2HD2  LEU  85          2HD2      LEU  85  -2.966   6.132   2.711
  176   3HD2  LEU  85          3HD2      LEU  85  -3.348   4.460   3.125
  177    H    ARG  86           HN       ARG  86   1.788   2.159   4.528
  178    HA   ARG  86           HA       ARG  86   3.530   4.449   4.593
  179   1HB   ARG  86          1HB       ARG  86   4.006   1.640   5.606
  180   2HB   ARG  86          2HB       ARG  86   4.968   3.062   5.998
  181   1HG   ARG  86          1HG       ARG  86   3.121   4.069   7.146
  182   2HG   ARG  86          2HG       ARG  86   2.045   2.766   6.639
  183   1HD   ARG  86          1HD       ARG  86   3.626   1.204   7.877
  184   2HD   ARG  86          2HD       ARG  86   4.327   2.661   8.586
  185    HE   ARG  86           HE       ARG  86   1.813   3.081   9.196
  186   1HH1  ARG  86          1HH1      ARG  86   3.619   0.081   9.334
  187   2HH1  ARG  86          2HH1      ARG  86   2.606  -0.616  10.570
  188   1HH2  ARG  86          1HH2      ARG  86   0.498   2.192  10.808
  189   2HH2  ARG  86          2HH2      ARG  86   0.796   0.581  11.387
  190    H    ALA  87           HN       ALA  87   3.577   1.238   3.087
  191    HA   ALA  87           HA       ALA  87   6.032   1.512   1.729
  192   1HB   ALA  87          1HB       ALA  87   5.172  -0.241   0.252
  193   2HB   ALA  87          2HB       ALA  87   3.551  -0.006   0.910
  194   3HB   ALA  87          3HB       ALA  87   4.843  -0.620   1.942
  195    H    LEU  88           HN       LEU  88   2.770   2.552   1.041
  196    HA   LEU  88           HA       LEU  88   3.203   3.567  -1.559
  197   1HB   LEU  88          1HB       LEU  88   1.155   3.950   0.571
  198   2HB   LEU  88          2HB       LEU  88   1.223   5.126  -0.719
  199    HG   LEU  88           HG       LEU  88  -0.453   3.318  -1.021
  200   1HD1  LEU  88          1HD1      LEU  88   1.725   3.505  -3.103
  201   2HD1  LEU  88          2HD1      LEU  88   0.385   4.635  -2.898
  202   3HD1  LEU  88          3HD1      LEU  88   0.069   2.970  -3.391
  203   1HD2  LEU  88          1HD2      LEU  88   1.972   1.588  -1.455
  204   2HD2  LEU  88          2HD2      LEU  88   0.306   1.135  -1.811
  205   3HD2  LEU  88          3HD2      LEU  88   0.803   1.435  -0.145
  206    H    GLN  89           HN       GLN  89   3.287   5.111   1.646
  207    HA   GLN  89           HA       GLN  89   3.915   7.699   0.868
  208   1HB   GLN  89          1HB       GLN  89   4.788   6.165   3.319
  209   2HB   GLN  89          2HB       GLN  89   5.011   7.891   3.112
  210   1HG   GLN  89          1HG       GLN  89   2.592   8.184   2.962
  211   2HG   GLN  89          2HG       GLN  89   2.376   6.449   3.189
  212   1HE2  GLN  89          HE21      GLN  89   3.232   9.458   4.697
  213   2HE2  GLN  89          HE22      GLN  89   3.200   8.884   6.332
  214    H    ALA  90           HN       ALA  90   6.088   4.987   1.561
  215    HA   ALA  90           HA       ALA  90   8.502   6.380   1.246
  216   1HB   ALA  90          1HB       ALA  90   9.531   4.174   1.068
  217   2HB   ALA  90          2HB       ALA  90   7.942   3.445   0.838
  218   3HB   ALA  90          3HB       ALA  90   8.344   4.220   2.370
  219    H    THR  91           HN       THR  91   6.398   4.803  -1.074
  220    HA   THR  91           HA       THR  91   8.362   5.079  -3.196
  221    HB   THR  91           HB       THR  91   6.552   4.013  -4.595
  222    HG1  THR  91           HG1      THR  91   5.262   3.214  -2.249
  223   1HG2  THR  91          1HG2      THR  91   7.444   2.552  -2.109
  224   2HG2  THR  91          2HG2      THR  91   8.354   2.697  -3.610
  225   3HG2  THR  91          3HG2      THR  91   6.843   1.791  -3.581
  226    H    GLY  92           HN       GLY  92   5.872   6.919  -1.851
  227   1HA   GLY  92          1HA       GLY  92   5.239   9.073  -2.464
  228   2HA   GLY  92          2HA       GLY  92   6.059   8.852  -4.005
  229    H    GLY  93           HN       GLY  93   3.836   6.443  -2.905
  230   1HA   GLY  93          1HA       GLY  93   1.582   6.111  -3.448
  231   2HA   GLY  93          2HA       GLY  93   1.631   7.556  -4.448
  232    H    ASP  94           HN       ASP  94   3.405   4.449  -4.409
  233    HA   ASP  94           HA       ASP  94   2.445   3.972  -7.146
  234   1HB   ASP  94          1HB       ASP  94   4.834   4.847  -7.118
  235   2HB   ASP  94          2HB       ASP  94   5.273   3.384  -6.243
  236    H    ILE  95           HN       ILE  95   1.238   2.217  -6.980
  237    HA   ILE  95           HA       ILE  95   1.273   0.432  -4.816
  238    HB   ILE  95           HB       ILE  95  -0.010   0.322  -7.526
  239   1HG1  ILE  95          1HG1      ILE  95  -0.930   1.833  -5.808
  240   2HG1  ILE  95          2HG1      ILE  95  -2.050   0.539  -6.217
  241   1HG2  ILE  95          1HG2      ILE  95   0.534  -1.992  -6.979
  242   2HG2  ILE  95          2HG2      ILE  95  -1.205  -1.710  -6.862
  243   3HG2  ILE  95          3HG2      ILE  95  -0.226  -1.807  -5.398
  244   1HD1  ILE  95          1HD1      ILE  95  -1.947   1.026  -3.806
  245   2HD1  ILE  95          2HD1      ILE  95  -0.243   0.553  -3.817
  246   3HD1  ILE  95          3HD1      ILE  95  -1.491  -0.636  -4.196
  247    H    GLN  96           HN       GLN  96   2.333  -0.117  -8.162
  248    HA   GLN  96           HA       GLN  96   3.226  -2.721  -7.839
  249   1HB   GLN  96          1HB       GLN  96   4.226  -0.556  -9.678
  250   2HB   GLN  96          2HB       GLN  96   4.757  -2.230  -9.783
  251   1HG   GLN  96          1HG       GLN  96   2.372  -2.886 -10.093
  252   2HG   GLN  96          2HG       GLN  96   1.971  -1.172 -10.181
  253   1HE2  GLN  96          HE21      GLN  96   4.930  -2.507 -11.493
  254   2HE2  GLN  96          HE22      GLN  96   4.510  -2.292 -13.158
  255    H    ALA  97           HN       ALA  97   5.017   0.297  -7.295
  256    HA   ALA  97           HA       ALA  97   7.445  -1.005  -6.532
  257   1HB   ALA  97          1HB       ALA  97   7.404   1.296  -7.352
  258   2HB   ALA  97          2HB       ALA  97   8.135   1.206  -5.750
  259   3HB   ALA  97          3HB       ALA  97   6.479   1.794  -5.934
  260    H    ALA  98           HN       ALA  98   4.586   0.086  -4.814
  261    HA   ALA  98           HA       ALA  98   5.553  -0.012  -2.196
  262   1HB   ALA  98          1HB       ALA  98   3.241  -0.190  -1.493
  263   2HB   ALA  98          2HB       ALA  98   2.760  -0.636  -3.131
  264   3HB   ALA  98          3HB       ALA  98   3.399   0.976  -2.807
  265    H    LEU  99           HN       LEU  99   4.016  -2.578  -4.139
  266    HA   LEU  99           HA       LEU  99   3.963  -4.585  -2.231
  267   1HB   LEU  99          1HB       LEU  99   4.177  -4.595  -5.211
  268   2HB   LEU  99          2HB       LEU  99   4.358  -6.106  -4.341
  269    HG   LEU  99           HG       LEU  99   2.123  -5.662  -3.285
  270   1HD1  LEU  99          1HD1      LEU  99   0.625  -4.097  -4.407
  271   2HD1  LEU  99          2HD1      LEU  99   1.973  -3.517  -5.382
  272   3HD1  LEU  99          3HD1      LEU  99   1.981  -3.278  -3.636
  273   1HD2  LEU  99          1HD2      LEU  99   2.409  -7.225  -5.136
  274   2HD2  LEU  99          2HD2      LEU  99   2.180  -5.908  -6.286
  275   3HD2  LEU  99          3HD2      LEU  99   0.855  -6.396  -5.228
  276    H    GLU 100           HN       GLU 100   6.686  -3.197  -3.753
  277    HA   GLU 100           HA       GLU 100   8.410  -5.492  -3.297
  278   1HB   GLU 100          1HB       GLU 100   8.986  -2.736  -4.417
  279   2HB   GLU 100          2HB       GLU 100  10.187  -4.014  -4.249
  280   1HG   GLU 100          1HG       GLU 100   8.837  -5.429  -5.751
  281   2HG   GLU 100          2HG       GLU 100   7.717  -4.084  -5.968
  282    H    LEU 101           HN       LEU 101   7.950  -2.183  -2.180
  283    HA   LEU 101           HA       LEU 101   9.816  -2.175  -0.092
  284   1HB   LEU 101          1HB       LEU 101   7.333  -0.692  -0.768
  285   2HB   LEU 101          2HB       LEU 101   7.860  -0.614   0.897
  286    HG   LEU 101           HG       LEU 101   8.628   1.297  -0.497
  287   1HD1  LEU 101          1HD1      LEU 101  10.956   1.245   0.270
  288   2HD1  LEU 101          2HD1      LEU 101  10.791  -0.475   0.621
  289   3HD1  LEU 101          3HD1      LEU 101   9.833   0.703   1.515
  290   1HD2  LEU 101          1HD2      LEU 101   8.970   0.113  -2.597
  291   2HD2  LEU 101          2HD2      LEU 101  10.289  -0.809  -1.873
  292   3HD2  LEU 101          3HD2      LEU 101  10.448   0.936  -2.092
  293    H    ILE 102           HN       ILE 102   6.502  -3.322  -0.318
  294    HA   ILE 102           HA       ILE 102   6.170  -3.978   2.399
  295    HB   ILE 102           HB       ILE 102   4.775  -5.105  -0.022
  296   1HG1  ILE 102          1HG1      ILE 102   3.732  -3.076   1.946
  297   2HG1  ILE 102          2HG1      ILE 102   4.617  -2.604   0.498
  298   1HG2  ILE 102          1HG2      ILE 102   4.605  -6.597   1.933
  299   2HG2  ILE 102          2HG2      ILE 102   3.052  -5.886   1.498
  300   3HG2  ILE 102          3HG2      ILE 102   3.950  -5.259   2.884
  301   1HD1  ILE 102          1HD1      ILE 102   2.247  -2.449   0.115
  302   2HD1  ILE 102          2HD1      ILE 102   2.028  -4.131   0.601
  303   3HD1  ILE 102          3HD1      ILE 102   2.927  -3.749  -0.867
  304    H    PHE 103           HN       PHE 103   6.860  -5.980  -0.426
  305    HA   PHE 103           HA       PHE 103   7.089  -8.402   1.001
  306   1HB   PHE 103          1HB       PHE 103   6.689  -8.017  -1.511
  307   2HB   PHE 103          2HB       PHE 103   8.438  -7.879  -1.638
  308    HD1  PHE 103           HD1      PHE 103   6.930 -10.170   0.783
  309    HD2  PHE 103           HD2      PHE 103   8.565  -9.777  -3.130
  310    HE1  PHE 103           HE1      PHE 103   7.095 -12.620   0.608
  311    HE2  PHE 103           HE2      PHE 103   8.734 -12.222  -3.307
  312    HZ   PHE 103           HZ       PHE 103   8.000 -13.648  -1.441
  313    H    ALA 104           HN       ALA 104   9.334  -5.815   0.577
  314    HA   ALA 104           HA       ALA 104  11.600  -7.496   1.340
  315   1HB   ALA 104          1HB       ALA 104  11.933  -5.773  -0.395
  316   2HB   ALA 104          2HB       ALA 104  12.972  -5.524   1.007
  317   3HB   ALA 104          3HB       ALA 104  11.533  -4.529   0.789
  318    H    GLY 105           HN       GLY 105   9.515  -4.964   2.577
  319   1HA   GLY 105          1HA       GLY 105   8.884  -4.917   4.864
  320   2HA   GLY 105          2HA       GLY 105  10.427  -5.646   5.285
  321    H    GLY 106           HN       GLY 106  11.386  -3.534   3.140
  322   1HA   GLY 106          1HA       GLY 106  11.064  -0.998   4.321
  323   2HA   GLY 106          2HA       GLY 106  12.545  -1.737   4.919
  324    H    ALA 107           HN       ALA 107  12.691   0.580   3.494
  325    HA   ALA 107           HA       ALA 107  13.072   0.182   0.704
  326   1HB   ALA 107          1HB       ALA 107  14.155   2.358   2.494
  327   2HB   ALA 107          2HB       ALA 107  12.602   2.385   1.656
  328   3HB   ALA 107          3HB       ALA 107  14.105   2.396   0.731
  329    HA   PRO 108           HA       PRO 108  16.998  -1.965   0.917
  330   1HB   PRO 108          1HB       PRO 108  17.088  -1.234  -1.953
  331   2HB   PRO 108          2HB       PRO 108  17.183  -2.826  -1.193
  332   1HG   PRO 108          1HG       PRO 108  14.990  -2.054  -2.508
  333   2HG   PRO 108          2HG       PRO 108  14.883  -3.032  -1.032
  334   1HD   PRO 108          1HD       PRO 108  14.444  -0.089  -1.392
  335   2HD   PRO 108          2HD       PRO 108  13.528  -1.252  -0.411
  Start of MODEL    9
    1    H    GLY  63           HT1      GLY  63 -11.890  10.517   4.761
    2   1HA   GLY  63          1HA       GLY  63 -10.256   9.040   3.810
    3   2HA   GLY  63          2HA       GLY  63 -10.770  10.247   2.639
    4    H    SER  64           HN       SER  64  -8.300   8.714   2.690
    5    HA   SER  64           HA       SER  64  -6.373  10.910   3.046
    6   1HB   SER  64          1HB       SER  64  -4.659   9.061   3.237
    7   2HB   SER  64          2HB       SER  64  -5.824   9.133   4.562
    8    HG   SER  64           HG       SER  64  -6.831   7.359   3.805
    9    H    GLN  65           HN       GLN  65  -4.267  10.126   1.568
   10    HA   GLN  65           HA       GLN  65  -5.338  10.509  -1.088
   11   1HB   GLN  65          1HB       GLN  65  -2.467  10.361  -0.146
   12   2HB   GLN  65          2HB       GLN  65  -3.014  10.916  -1.722
   13   1HG   GLN  65          1HG       GLN  65  -4.017  12.851  -0.788
   14   2HG   GLN  65          2HG       GLN  65  -3.802  12.247   0.854
   15   1HE2  GLN  65          HE21      GLN  65  -2.252  13.679  -1.899
   16   2HE2  GLN  65          HE22      GLN  65  -0.786  14.118  -1.097
   17    H    TRP  66           HN       TRP  66  -3.710   8.062   0.788
   18    HA   TRP  66           HA       TRP  66  -3.136   6.522  -1.626
   19   1HB   TRP  66          1HB       TRP  66  -2.097   6.093   1.178
   20   2HB   TRP  66          2HB       TRP  66  -1.530   5.305  -0.299
   21    HD1  TRP  66           HD1      TRP  66  -0.442   7.039  -2.157
   22    HE1  TRP  66           HE1      TRP  66   1.069   9.095  -1.785
   23    HE3  TRP  66           HE3      TRP  66  -1.552   7.923   2.729
   24    HZ2  TRP  66           HZ2      TRP  66   1.690  10.863   0.342
   25    HZ3  TRP  66           HZ3      TRP  66  -0.473   9.816   3.866
   26    HH2  TRP  66           HH2      TRP  66   1.117  11.256   2.697
   27    H    GLN  67           HN       GLN  67  -5.528   6.632   0.663
   28    HA   GLN  67           HA       GLN  67  -5.880   3.864   1.115
   29   1HB   GLN  67          1HB       GLN  67  -7.347   6.275   1.735
   30   2HB   GLN  67          2HB       GLN  67  -8.425   4.957   1.278
   31   1HG   GLN  67          1HG       GLN  67  -6.214   4.440   3.210
   32   2HG   GLN  67          2HG       GLN  67  -7.684   5.250   3.761
   33   1HE2  GLN  67          HE21      GLN  67  -8.179   3.522   5.103
   34   2HE2  GLN  67          HE22      GLN  67  -8.785   2.021   4.481
   35    HA   PRO  68           HA       PRO  68  -8.667   4.068  -2.965
   36   1HB   PRO  68          1HB       PRO  68  -6.740   5.885  -4.325
   37   2HB   PRO  68          2HB       PRO  68  -8.479   5.702  -4.586
   38   1HG   PRO  68          1HG       PRO  68  -7.542   7.811  -3.255
   39   2HG   PRO  68          2HG       PRO  68  -9.031   7.001  -2.735
   40   1HD   PRO  68          1HD       PRO  68  -6.292   6.879  -1.567
   41   2HD   PRO  68          2HD       PRO  68  -7.868   6.852  -0.755
   42    H    GLN  69           HN       GLN  69  -5.172   4.639  -2.800
   43    HA   GLN  69           HA       GLN  69  -4.403   2.604  -4.611
   44   1HB   GLN  69          1HB       GLN  69  -2.978   4.056  -2.399
   45   2HB   GLN  69          2HB       GLN  69  -2.209   2.731  -3.233
   46   1HG   GLN  69          1HG       GLN  69  -1.518   4.877  -4.125
   47   2HG   GLN  69          2HG       GLN  69  -2.354   3.910  -5.328
   48   1HE2  GLN  69          HE21      GLN  69  -4.312   4.591  -6.128
   49   2HE2  GLN  69          HE22      GLN  69  -4.944   6.182  -5.832
   50    H    LEU  70           HN       LEU  70  -4.582   2.703  -1.049
   51    HA   LEU  70           HA       LEU  70  -3.932   0.085  -0.452
   52   1HB   LEU  70          1HB       LEU  70  -6.221   1.564   0.843
   53   2HB   LEU  70          2HB       LEU  70  -5.309   0.250   1.541
   54    HG   LEU  70           HG       LEU  70  -4.555   3.090   1.193
   55   1HD1  LEU  70          1HD1      LEU  70  -4.292   1.165   3.483
   56   2HD1  LEU  70          2HD1      LEU  70  -5.596   2.330   3.269
   57   3HD1  LEU  70          3HD1      LEU  70  -3.944   2.893   3.526
   58   1HD2  LEU  70          1HD2      LEU  70  -2.597   0.837   1.631
   59   2HD2  LEU  70          2HD2      LEU  70  -2.229   2.559   1.752
   60   3HD2  LEU  70          3HD2      LEU  70  -2.691   1.864   0.198
   61    H    GLN  71           HN       GLN  71  -6.955   1.391  -1.670
   62    HA   GLN  71           HA       GLN  71  -8.573  -0.830  -1.274
   63   1HB   GLN  71          1HB       GLN  71  -8.712   1.304  -3.395
   64   2HB   GLN  71          2HB       GLN  71  -9.969   0.104  -3.140
   65   1HG   GLN  71          1HG       GLN  71 -10.261   0.932  -0.856
   66   2HG   GLN  71          2HG       GLN  71  -9.023   2.146  -1.160
   67   1HE2  GLN  71          HE21      GLN  71  -9.940   2.515  -3.928
   68   2HE2  GLN  71          HE22      GLN  71 -11.373   3.477  -3.814
   69    H    GLN  72           HN       GLN  72  -6.205  -0.184  -3.788
   70    HA   GLN  72           HA       GLN  72  -6.981  -2.143  -5.619
   71   1HB   GLN  72          1HB       GLN  72  -4.282  -1.016  -4.918
   72   2HB   GLN  72          2HB       GLN  72  -4.630  -1.939  -6.347
   73   1HG   GLN  72          1HG       GLN  72  -5.833   0.714  -5.655
   74   2HG   GLN  72          2HG       GLN  72  -4.532   0.443  -6.815
   75   1HE2  GLN  72          HE21      GLN  72  -4.990  -0.483  -8.788
   76   2HE2  GLN  72          HE22      GLN  72  -6.606  -0.620  -9.396
   77    H    LEU  73           HN       LEU  73  -4.987  -2.196  -2.726
   78    HA   LEU  73           HA       LEU  73  -4.291  -4.990  -3.073
   79   1HB   LEU  73          1HB       LEU  73  -3.776  -3.203  -0.698
   80   2HB   LEU  73          2HB       LEU  73  -3.000  -4.735  -1.050
   81    HG   LEU  73           HG       LEU  73  -2.638  -2.111  -2.475
   82   1HD1  LEU  73          1HD1      LEU  73  -1.341  -2.385  -0.457
   83   2HD1  LEU  73          2HD1      LEU  73  -0.290  -2.469  -1.872
   84   3HD1  LEU  73          3HD1      LEU  73  -0.746  -3.947  -1.024
   85   1HD2  LEU  73          1HD2      LEU  73  -2.806  -3.837  -4.165
   86   2HD2  LEU  73          2HD2      LEU  73  -1.628  -4.828  -3.300
   87   3HD2  LEU  73          3HD2      LEU  73  -1.137  -3.289  -4.009
   88    H    ARG  74           HN       ARG  74  -6.439  -2.999  -1.151
   89    HA   ARG  74           HA       ARG  74  -7.415  -4.959   0.597
   90   1HB   ARG  74          1HB       ARG  74  -8.756  -2.518  -0.559
   91   2HB   ARG  74          2HB       ARG  74  -9.449  -3.499   0.727
   92   1HG   ARG  74          1HG       ARG  74  -7.724  -2.927   2.230
   93   2HG   ARG  74          2HG       ARG  74  -6.735  -2.245   0.941
   94   1HD   ARG  74          1HD       ARG  74  -7.728  -0.433   2.203
   95   2HD   ARG  74          2HD       ARG  74  -8.468  -0.509   0.603
   96    HE   ARG  74           HE       ARG  74  -9.921  -2.006   2.569
   97   1HH1  ARG  74          1HH1      ARG  74  -9.445   1.233   1.314
   98   2HH1  ARG  74          2HH1      ARG  74 -11.075   1.728   1.641
   99   1HH2  ARG  74          1HH2      ARG  74 -12.052  -1.352   3.005
  100   2HH2  ARG  74          2HH2      ARG  74 -12.563   0.260   2.597
  101    H    ASP  75           HN       ASP  75  -8.210  -4.108  -2.700
  102    HA   ASP  75           HA       ASP  75 -10.383  -5.858  -3.100
  103   1HB   ASP  75          1HB       ASP  75  -9.929  -4.119  -4.710
  104   2HB   ASP  75          2HB       ASP  75  -8.314  -4.751  -5.001
  105    H    MET  76           HN       MET  76  -6.890  -6.270  -3.442
  106    HA   MET  76           HA       MET  76  -6.976  -8.919  -4.443
  107   1HB   MET  76          1HB       MET  76  -4.801  -7.466  -2.927
  108   2HB   MET  76          2HB       MET  76  -4.597  -9.039  -3.686
  109   1HG   MET  76          1HG       MET  76  -5.088  -8.037  -5.867
  110   2HG   MET  76          2HG       MET  76  -5.250  -6.460  -5.091
  111   1HE   MET  76          1HE       MET  76  -3.307  -7.087  -7.558
  112   2HE   MET  76          2HE       MET  76  -1.856  -6.209  -7.074
  113   3HE   MET  76          3HE       MET  76  -3.447  -5.488  -6.828
  114    H    GLY  77           HN       GLY  77  -7.196  -7.563  -1.257
  115   1HA   GLY  77          1HA       GLY  77  -8.414  -8.981   0.359
  116   2HA   GLY  77          2HA       GLY  77  -7.369 -10.300  -0.153
  117    H    ILE  78           HN       ILE  78  -5.672  -7.402  -0.041
  118    HA   ILE  78           HA       ILE  78  -4.066  -8.260   2.133
  119    HB   ILE  78           HB       ILE  78  -4.147  -5.803   0.415
  120   1HG1  ILE  78          1HG1      ILE  78  -2.142  -6.561  -0.471
  121   2HG1  ILE  78          2HG1      ILE  78  -1.745  -7.529   0.941
  122   1HG2  ILE  78          1HG2      ILE  78  -2.396  -6.161   2.838
  123   2HG2  ILE  78          2HG2      ILE  78  -3.636  -4.930   2.604
  124   3HG2  ILE  78          3HG2      ILE  78  -2.183  -4.917   1.606
  125   1HD1  ILE  78          1HD1      ILE  78  -2.243  -8.928  -0.963
  126   2HD1  ILE  78          2HD1      ILE  78  -3.817  -8.152  -1.151
  127   3HD1  ILE  78          3HD1      ILE  78  -3.480  -9.131   0.279
  128    H    GLN  79           HN       GLN  79  -4.368  -7.991   4.204
  129    HA   GLN  79           HA       GLN  79  -6.400  -6.112   5.169
  130   1HB   GLN  79          1HB       GLN  79  -6.485  -8.466   5.916
  131   2HB   GLN  79          2HB       GLN  79  -4.881  -8.299   6.611
  132   1HG   GLN  79          1HG       GLN  79  -5.805  -6.514   8.100
  133   2HG   GLN  79          2HG       GLN  79  -7.405  -6.926   7.488
  134   1HE2  GLN  79          HE21      GLN  79  -6.742  -9.780   7.294
  135   2HE2  GLN  79          HE22      GLN  79  -6.782 -10.371   8.921
  136    H    ASP  80           HN       ASP  80  -3.045  -6.453   4.850
  137    HA   ASP  80           HA       ASP  80  -2.288  -4.862   7.122
  138   1HB   ASP  80          1HB       ASP  80  -0.759  -5.996   4.778
  139   2HB   ASP  80          2HB       ASP  80  -0.006  -5.029   6.033
  140    H    ASP  81           HN       ASP  81  -3.867  -3.153   6.298
  141    HA   ASP  81           HA       ASP  81  -3.014  -1.505   4.103
  142   1HB   ASP  81          1HB       ASP  81  -4.887  -0.115   4.588
  143   2HB   ASP  81          2HB       ASP  81  -5.421  -1.765   4.872
  144    H    GLU  82           HN       GLU  82  -2.728  -1.459   7.591
  145    HA   GLU  82           HA       GLU  82  -1.534   1.096   7.858
  146   1HB   GLU  82          1HB       GLU  82  -0.671   0.091  10.044
  147   2HB   GLU  82          2HB       GLU  82  -2.416   0.126   9.826
  148   1HG   GLU  82          1HG       GLU  82  -2.348  -2.233   9.121
  149   2HG   GLU  82          2HG       GLU  82  -0.613  -2.251   9.430
  150    H    LEU  83           HN       LEU  83  -0.458  -1.833   6.642
  151    HA   LEU  83           HA       LEU  83   2.374  -1.258   6.860
  152   1HB   LEU  83          1HB       LEU  83   1.777  -3.536   7.101
  153   2HB   LEU  83          2HB       LEU  83   0.660  -3.452   5.768
  154    HG   LEU  83           HG       LEU  83   2.829  -4.810   5.494
  155   1HD1  LEU  83          1HD1      LEU  83   1.933  -2.809   3.437
  156   2HD1  LEU  83          2HD1      LEU  83   1.249  -4.407   3.724
  157   3HD1  LEU  83          3HD1      LEU  83   2.899  -4.250   3.112
  158   1HD2  LEU  83          1HD2      LEU  83   3.905  -2.046   4.943
  159   2HD2  LEU  83          2HD2      LEU  83   4.739  -3.569   4.638
  160   3HD2  LEU  83          3HD2      LEU  83   4.371  -3.078   6.293
  161    H    SER  84           HN       SER  84  -0.075  -1.633   4.310
  162    HA   SER  84           HA       SER  84   1.621  -1.029   2.169
  163   1HB   SER  84          1HB       SER  84  -0.441  -2.195   1.780
  164   2HB   SER  84          2HB       SER  84  -1.379  -0.854   2.423
  165    HG   SER  84           HG       SER  84   0.290  -0.170   0.353
  166    H    LEU  85           HN       LEU  85  -0.492   1.053   4.115
  167    HA   LEU  85           HA       LEU  85  -0.292   3.420   2.667
  168   1HB   LEU  85          1HB       LEU  85  -1.545   2.720   4.906
  169   2HB   LEU  85          2HB       LEU  85  -0.169   3.504   5.642
  170    HG   LEU  85           HG       LEU  85  -2.114   4.996   5.473
  171   1HD1  LEU  85          1HD1      LEU  85   0.099   5.977   5.474
  172   2HD1  LEU  85          2HD1      LEU  85  -0.997   6.902   4.445
  173   3HD1  LEU  85          3HD1      LEU  85   0.186   5.810   3.718
  174   1HD2  LEU  85          1HD2      LEU  85  -1.756   4.688   2.499
  175   2HD2  LEU  85          2HD2      LEU  85  -2.847   5.819   3.300
  176   3HD2  LEU  85          3HD2      LEU  85  -3.108   4.081   3.452
  177    H    ARG  86           HN       ARG  86   2.043   1.878   4.772
  178    HA   ARG  86           HA       ARG  86   3.782   4.145   5.030
  179   1HB   ARG  86          1HB       ARG  86   4.514   1.228   5.353
  180   2HB   ARG  86          2HB       ARG  86   5.409   2.609   5.958
  181   1HG   ARG  86          1HG       ARG  86   3.453   3.118   7.436
  182   2HG   ARG  86          2HG       ARG  86   2.759   1.574   6.927
  183   1HD   ARG  86          1HD       ARG  86   5.178   0.712   7.592
  184   2HD   ARG  86          2HD       ARG  86   5.132   2.137   8.623
  185    HE   ARG  86           HE       ARG  86   2.822   0.418   8.844
  186   1HH1  ARG  86          1HH1      ARG  86   5.990   1.253  10.081
  187   2HH1  ARG  86          2HH1      ARG  86   5.825   0.310  11.530
  188   1HH2  ARG  86          1HH2      ARG  86   2.609  -0.881  10.756
  189   2HH2  ARG  86          2HH2      ARG  86   3.912  -0.905  11.904
  190    H    ALA  87           HN       ALA  87   3.853   1.132   3.167
  191    HA   ALA  87           HA       ALA  87   6.163   1.633   1.673
  192   1HB   ALA  87          1HB       ALA  87   5.096  -0.558   1.840
  193   2HB   ALA  87          2HB       ALA  87   5.322  -0.085   0.155
  194   3HB   ALA  87          3HB       ALA  87   3.725   0.033   0.900
  195    H    LEU  88           HN       LEU  88   2.827   2.547   1.165
  196    HA   LEU  88           HA       LEU  88   2.973   3.557  -1.428
  197   1HB   LEU  88          1HB       LEU  88   1.223   3.901   0.918
  198   2HB   LEU  88          2HB       LEU  88   1.177   5.210  -0.244
  199    HG   LEU  88           HG       LEU  88  -0.570   3.430  -0.532
  200   1HD1  LEU  88          1HD1      LEU  88  -0.293   3.344  -2.995
  201   2HD1  LEU  88          2HD1      LEU  88   1.345   3.968  -2.801
  202   3HD1  LEU  88          3HD1      LEU  88  -0.037   4.955  -2.329
  203   1HD2  LEU  88          1HD2      LEU  88   0.778   1.468  -0.056
  204   2HD2  LEU  88          2HD2      LEU  88   1.794   1.804  -1.457
  205   3HD2  LEU  88          3HD2      LEU  88   0.101   1.367  -1.682
  206    H    GLN  89           HN       GLN  89   3.166   5.400   1.618
  207    HA   GLN  89           HA       GLN  89   3.825   7.865   0.571
  208   1HB   GLN  89          1HB       GLN  89   4.727   6.636   3.180
  209   2HB   GLN  89          2HB       GLN  89   4.799   8.347   2.791
  210   1HG   GLN  89          1HG       GLN  89   2.417   8.489   2.676
  211   2HG   GLN  89          2HG       GLN  89   2.260   6.741   2.843
  212   1HE2  GLN  89          HE21      GLN  89   2.651   5.789   4.838
  213   2HE2  GLN  89          HE22      GLN  89   2.627   6.696   6.310
  214    H    ALA  90           HN       ALA  90   6.004   5.202   1.462
  215    HA   ALA  90           HA       ALA  90   8.383   6.704   1.076
  216   1HB   ALA  90          1HB       ALA  90   9.528   4.564   1.317
  217   2HB   ALA  90          2HB       ALA  90   7.984   3.719   1.179
  218   3HB   ALA  90          3HB       ALA  90   8.293   4.779   2.555
  219    H    THR  91           HN       THR  91   6.268   5.135  -1.124
  220    HA   THR  91           HA       THR  91   8.361   5.076  -3.189
  221    HB   THR  91           HB       THR  91   6.674   3.772  -4.529
  222    HG1  THR  91           HG1      THR  91   5.304   3.261  -2.120
  223   1HG2  THR  91          1HG2      THR  91   7.442   2.581  -1.861
  224   2HG2  THR  91          2HG2      THR  91   8.490   2.675  -3.275
  225   3HG2  THR  91          3HG2      THR  91   7.032   1.683  -3.322
  226    H    GLY  92           HN       GLY  92   6.299   7.236  -2.021
  227   1HA   GLY  92          1HA       GLY  92   5.543   9.232  -2.902
  228   2HA   GLY  92          2HA       GLY  92   6.201   8.743  -4.457
  229    H    GLY  93           HN       GLY  93   4.014   6.610  -2.841
  230   1HA   GLY  93          1HA       GLY  93   1.723   6.298  -3.078
  231   2HA   GLY  93          2HA       GLY  93   1.664   7.679  -4.162
  232    H    ASP  94           HN       ASP  94   3.411   4.563  -4.213
  233    HA   ASP  94           HA       ASP  94   2.087   3.985  -6.770
  234   1HB   ASP  94          1HB       ASP  94   4.497   4.764  -7.048
  235   2HB   ASP  94          2HB       ASP  94   4.974   3.296  -6.199
  236    H    ILE  95           HN       ILE  95   1.190   2.058  -6.832
  237    HA   ILE  95           HA       ILE  95   1.136   0.478  -4.454
  238    HB   ILE  95           HB       ILE  95  -0.213   0.317  -7.123
  239   1HG1  ILE  95          1HG1      ILE  95  -0.950   1.894  -5.334
  240   2HG1  ILE  95          2HG1      ILE  95  -2.181   0.729  -5.820
  241   1HG2  ILE  95          1HG2      ILE  95  -0.370  -1.765  -4.945
  242   2HG2  ILE  95          2HG2      ILE  95   0.236  -1.999  -6.583
  243   3HG2  ILE  95          3HG2      ILE  95  -1.472  -1.653  -6.317
  244   1HD1  ILE  95          1HD1      ILE  95  -1.644  -0.629  -3.856
  245   2HD1  ILE  95          2HD1      ILE  95  -2.153   1.003  -3.412
  246   3HD1  ILE  95          3HD1      ILE  95  -0.441   0.569  -3.375
  247    H    GLN  96           HN       GLN  96   2.175  -0.184  -7.782
  248    HA   GLN  96           HA       GLN  96   2.943  -2.842  -7.208
  249   1HB   GLN  96          1HB       GLN  96   3.834  -1.051  -9.464
  250   2HB   GLN  96          2HB       GLN  96   4.116  -2.783  -9.381
  251   1HG   GLN  96          1HG       GLN  96   1.555  -2.959  -9.149
  252   2HG   GLN  96          2HG       GLN  96   1.548  -1.308  -9.765
  253   1HE2  GLN  96          HE21      GLN  96   3.818  -3.832 -10.663
  254   2HE2  GLN  96          HE22      GLN  96   3.307  -3.959 -12.314
  255    H    ALA  97           HN       ALA  97   4.725   0.206  -7.147
  256    HA   ALA  97           HA       ALA  97   7.245  -0.989  -6.530
  257   1HB   ALA  97          1HB       ALA  97   7.933   1.259  -5.869
  258   2HB   ALA  97          2HB       ALA  97   6.256   1.803  -5.930
  259   3HB   ALA  97          3HB       ALA  97   7.072   1.287  -7.406
  260    H    ALA  98           HN       ALA  98   4.463  -0.017  -4.649
  261    HA   ALA  98           HA       ALA  98   5.616  -0.113  -2.088
  262   1HB   ALA  98          1HB       ALA  98   2.775  -0.758  -2.877
  263   2HB   ALA  98          2HB       ALA  98   3.402   0.846  -2.497
  264   3HB   ALA  98          3HB       ALA  98   3.344  -0.398  -1.246
  265    H    LEU  99           HN       LEU  99   4.022  -2.648  -4.037
  266    HA   LEU  99           HA       LEU  99   4.160  -4.753  -2.246
  267   1HB   LEU  99          1HB       LEU  99   4.209  -4.548  -5.220
  268   2HB   LEU  99          2HB       LEU  99   4.496  -6.106  -4.478
  269    HG   LEU  99           HG       LEU  99   2.163  -5.757  -5.188
  270   1HD1  LEU  99          1HD1      LEU  99   2.672  -7.350  -3.429
  271   2HD1  LEU  99          2HD1      LEU  99   1.126  -6.558  -3.120
  272   3HD1  LEU  99          3HD1      LEU  99   2.563  -6.069  -2.223
  273   1HD2  LEU  99          1HD2      LEU  99   1.926  -3.393  -4.773
  274   2HD2  LEU  99          2HD2      LEU  99   2.119  -3.661  -3.039
  275   3HD2  LEU  99          3HD2      LEU  99   0.703  -4.297  -3.876
  276    H    GLU 100           HN       GLU 100   6.733  -3.162  -3.825
  277    HA   GLU 100           HA       GLU 100   8.592  -5.383  -3.723
  278   1HB   GLU 100          1HB       GLU 100   8.974  -2.441  -4.352
  279   2HB   GLU 100          2HB       GLU 100  10.262  -3.636  -4.407
  280   1HG   GLU 100          1HG       GLU 100   7.775  -3.695  -6.101
  281   2HG   GLU 100          2HG       GLU 100   9.350  -3.102  -6.623
  282    H    LEU 101           HN       LEU 101   8.108  -2.243  -2.233
  283    HA   LEU 101           HA       LEU 101  10.085  -2.430  -0.256
  284   1HB   LEU 101          1HB       LEU 101   8.476  -0.477  -1.084
  285   2HB   LEU 101          2HB       LEU 101   7.533  -1.002   0.301
  286    HG   LEU 101           HG       LEU 101   9.536  -0.656   1.733
  287   1HD1  LEU 101          1HD1      LEU 101  11.220  -0.918  -0.007
  288   2HD1  LEU 101          2HD1      LEU 101  11.397   0.634   0.819
  289   3HD1  LEU 101          3HD1      LEU 101  10.658   0.563  -0.782
  290   1HD2  LEU 101          1HD2      LEU 101   8.574   1.720   0.148
  291   2HD2  LEU 101          2HD2      LEU 101   9.412   1.798   1.700
  292   3HD2  LEU 101          3HD2      LEU 101   7.819   1.046   1.594
  293    H    ILE 102           HN       ILE 102   6.661  -3.274  -0.271
  294    HA   ILE 102           HA       ILE 102   6.383  -3.985   2.386
  295    HB   ILE 102           HB       ILE 102   4.960  -5.102  -0.018
  296   1HG1  ILE 102          1HG1      ILE 102   3.983  -3.085   2.000
  297   2HG1  ILE 102          2HG1      ILE 102   4.801  -2.623   0.510
  298   1HG2  ILE 102          1HG2      ILE 102   4.181  -5.319   2.895
  299   2HG2  ILE 102          2HG2      ILE 102   4.804  -6.639   1.899
  300   3HG2  ILE 102          3HG2      ILE 102   3.250  -5.902   1.513
  301   1HD1  ILE 102          1HD1      ILE 102   3.039  -3.773  -0.766
  302   2HD1  ILE 102          2HD1      ILE 102   2.424  -2.450   0.229
  303   3HD1  ILE 102          3HD1      ILE 102   2.207  -4.122   0.750
  304    H    PHE 103           HN       PHE 103   7.020  -6.050  -0.392
  305    HA   PHE 103           HA       PHE 103   7.287  -8.406   1.167
  306   1HB   PHE 103          1HB       PHE 103   6.600  -8.351  -1.233
  307   2HB   PHE 103          2HB       PHE 103   8.263  -7.957  -1.656
  308    HD1  PHE 103           HD1      PHE 103   6.084 -10.557  -0.202
  309    HD2  PHE 103           HD2      PHE 103   9.927  -9.620  -1.767
  310    HE1  PHE 103           HE1      PHE 103   6.629 -12.950  -0.280
  311    HE2  PHE 103           HE2      PHE 103  10.480 -12.018  -1.855
  312    HZ   PHE 103           HZ       PHE 103   8.823 -13.687  -1.068
  313    H    ALA 104           HN       ALA 104   9.766  -6.323  -0.409
  314    HA   ALA 104           HA       ALA 104  11.776  -7.896   1.073
  315   1HB   ALA 104          1HB       ALA 104  12.051  -7.019  -1.788
  316   2HB   ALA 104          2HB       ALA 104  11.622  -8.648  -1.262
  317   3HB   ALA 104          3HB       ALA 104  13.202  -7.978  -0.859
  318    H    GLY 105           HN       GLY 105  10.692  -4.794   0.195
  319   1HA   GLY 105          1HA       GLY 105  13.265  -3.500   0.408
  320   2HA   GLY 105          2HA       GLY 105  11.706  -2.706   0.255
  321    H    GLY 106           HN       GLY 106  10.756  -4.409   2.588
  322   1HA   GLY 106          1HA       GLY 106  10.551  -4.157   4.868
  323   2HA   GLY 106          2HA       GLY 106  12.189  -3.517   4.888
  324    H    ALA 107           HN       ALA 107  12.419  -1.459   5.400
  325    HA   ALA 107           HA       ALA 107  10.469   0.519   4.599
  326   1HB   ALA 107          1HB       ALA 107   9.540  -0.271   6.726
  327   2HB   ALA 107          2HB       ALA 107  10.108   1.392   6.852
  328   3HB   ALA 107          3HB       ALA 107  11.072   0.079   7.527
  329    HA   PRO 108           HA       PRO 108  14.317   2.753   4.307
  330   1HB   PRO 108          1HB       PRO 108  12.644   5.132   3.936
  331   2HB   PRO 108          2HB       PRO 108  13.764   4.366   2.807
  332   1HG   PRO 108          1HG       PRO 108  11.094   4.282   2.455
  333   2HG   PRO 108          2HG       PRO 108  12.157   2.946   1.970
  334   1HD   PRO 108          1HD       PRO 108  10.438   3.210   4.414
  335   2HD   PRO 108          2HD       PRO 108  10.686   1.800   3.359
  Start of MODEL   10
    1    H    GLY  63           HT1      GLY  63  -9.645  12.261  -3.321
    2   1HA   GLY  63          1HA       GLY  63 -11.043  12.048  -0.711
    3   2HA   GLY  63          2HA       GLY  63 -10.454  10.675  -1.643
    4    H    SER  64           HN       SER  64  -8.866   9.934  -0.325
    5    HA   SER  64           HA       SER  64  -6.833  11.776   0.648
    6   1HB   SER  64          1HB       SER  64  -7.128   8.786   1.002
    7   2HB   SER  64          2HB       SER  64  -5.918   9.790   1.797
    8    HG   SER  64           HG       SER  64  -7.830  11.022   2.600
    9    H    GLN  65           HN       GLN  65  -4.509  10.308   0.497
   10    HA   GLN  65           HA       GLN  65  -4.000  10.536  -2.366
   11   1HB   GLN  65          1HB       GLN  65  -2.122  10.331  -0.008
   12   2HB   GLN  65          2HB       GLN  65  -1.614  10.512  -1.680
   13   1HG   GLN  65          1HG       GLN  65  -2.641  12.684  -1.810
   14   2HG   GLN  65          2HG       GLN  65  -3.319  12.497  -0.193
   15   1HE2  GLN  65          HE21      GLN  65  -0.431  13.062  -2.041
   16   2HE2  GLN  65          HE22      GLN  65   0.562  13.580  -0.723
   17    H    TRP  66           HN       TRP  66  -3.424   8.308   0.331
   18    HA   TRP  66           HA       TRP  66  -2.669   6.273  -1.645
   19   1HB   TRP  66          1HB       TRP  66  -2.007   6.355   1.301
   20   2HB   TRP  66          2HB       TRP  66  -1.423   5.173   0.134
   21    HD1  TRP  66           HD1      TRP  66  -0.333   6.707  -2.158
   22    HE1  TRP  66           HE1      TRP  66   1.605   8.403  -1.963
   23    HE3  TRP  66           HE3      TRP  66  -0.726   7.783   2.809
   24    HZ2  TRP  66           HZ2      TRP  66   2.800   9.986   0.057
   25    HZ3  TRP  66           HZ3      TRP  66   0.843   9.399   3.802
   26    HH2  TRP  66           HH2      TRP  66   2.568  10.476   2.454
   27    H    GLN  67           HN       GLN  67  -5.216   7.078   0.408
   28    HA   GLN  67           HA       GLN  67  -5.947   4.475   1.231
   29   1HB   GLN  67          1HB       GLN  67  -6.893   6.544   2.247
   30   2HB   GLN  67          2HB       GLN  67  -7.861   6.761   0.788
   31   1HG   GLN  67          1HG       GLN  67  -8.838   4.519   1.160
   32   2HG   GLN  67          2HG       GLN  67  -7.955   4.426   2.683
   33   1HE2  GLN  67          HE21      GLN  67 -10.826   4.377   2.113
   34   2HE2  GLN  67          HE22      GLN  67 -11.515   5.662   3.053
   35    HA   PRO  68           HA       PRO  68  -8.667   4.393  -2.848
   36   1HB   PRO  68          1HB       PRO  68  -6.885   6.002  -4.587
   37   2HB   PRO  68          2HB       PRO  68  -8.649   5.932  -4.549
   38   1HG   PRO  68          1HG       PRO  68  -7.356   8.055  -3.590
   39   2HG   PRO  68          2HG       PRO  68  -8.809   7.432  -2.787
   40   1HD   PRO  68          1HD       PRO  68  -5.935   7.092  -2.033
   41   2HD   PRO  68          2HD       PRO  68  -7.342   7.384  -0.994
   42    H    GLN  69           HN       GLN  69  -5.239   4.615  -2.502
   43    HA   GLN  69           HA       GLN  69  -4.625   2.571  -4.425
   44   1HB   GLN  69          1HB       GLN  69  -2.990   3.926  -2.280
   45   2HB   GLN  69          2HB       GLN  69  -2.337   2.698  -3.341
   46   1HG   GLN  69          1HG       GLN  69  -3.449   5.344  -4.166
   47   2HG   GLN  69          2HG       GLN  69  -1.753   4.901  -4.121
   48   1HE2  GLN  69          HE21      GLN  69  -1.416   5.315  -6.280
   49   2HE2  GLN  69          HE22      GLN  69  -2.078   4.337  -7.542
   50    H    LEU  70           HN       LEU  70  -4.842   2.795  -0.874
   51    HA   LEU  70           HA       LEU  70  -4.358   0.162  -0.174
   52   1HB   LEU  70          1HB       LEU  70  -6.702   1.688   0.937
   53   2HB   LEU  70          2HB       LEU  70  -5.765   0.446   1.734
   54    HG   LEU  70           HG       LEU  70  -4.945   3.255   1.127
   55   1HD1  LEU  70          1HD1      LEU  70  -4.731   3.421   3.554
   56   2HD1  LEU  70          2HD1      LEU  70  -5.277   1.752   3.712
   57   3HD1  LEU  70          3HD1      LEU  70  -6.369   2.981   3.074
   58   1HD2  LEU  70          1HD2      LEU  70  -2.797   2.741   2.143
   59   2HD2  LEU  70          2HD2      LEU  70  -3.064   1.746   0.711
   60   3HD2  LEU  70          3HD2      LEU  70  -3.274   1.047   2.319
   61    H    GLN  71           HN       GLN  71  -7.211   1.603  -1.585
   62    HA   GLN  71           HA       GLN  71  -8.995  -0.499  -1.351
   63   1HB   GLN  71          1HB       GLN  71  -9.641   1.741  -2.039
   64   2HB   GLN  71          2HB       GLN  71  -8.761   1.556  -3.549
   65   1HG   GLN  71          1HG       GLN  71 -10.282  -0.228  -4.205
   66   2HG   GLN  71          2HG       GLN  71 -11.141  -0.043  -2.679
   67   1HE2  GLN  71          HE21      GLN  71 -10.921   2.848  -2.660
   68   2HE2  GLN  71          HE22      GLN  71 -12.035   3.426  -3.850
   69    H    GLN  72           HN       GLN  72  -6.438   0.023  -3.749
   70    HA   GLN  72           HA       GLN  72  -7.138  -2.022  -5.526
   71   1HB   GLN  72          1HB       GLN  72  -4.433  -0.918  -4.811
   72   2HB   GLN  72          2HB       GLN  72  -4.836  -1.795  -6.254
   73   1HG   GLN  72          1HG       GLN  72  -6.008   0.857  -5.512
   74   2HG   GLN  72          2HG       GLN  72  -4.643   0.632  -6.603
   75   1HE2  GLN  72          HE21      GLN  72  -8.073   0.254  -6.192
   76   2HE2  GLN  72          HE22      GLN  72  -8.441  -0.054  -7.851
   77    H    LEU  73           HN       LEU  73  -5.039  -1.897  -2.709
   78    HA   LEU  73           HA       LEU  73  -4.125  -4.582  -2.849
   79   1HB   LEU  73          1HB       LEU  73  -4.224  -2.724  -0.475
   80   2HB   LEU  73          2HB       LEU  73  -3.186  -4.128  -0.664
   81    HG   LEU  73           HG       LEU  73  -3.000  -1.887  -2.636
   82   1HD1  LEU  73          1HD1      LEU  73  -1.693  -1.963   0.075
   83   2HD1  LEU  73          2HD1      LEU  73  -2.889  -0.790  -0.481
   84   3HD1  LEU  73          3HD1      LEU  73  -1.290  -0.842  -1.226
   85   1HD2  LEU  73          1HD2      LEU  73  -1.823  -3.996  -3.051
   86   2HD2  LEU  73          2HD2      LEU  73  -0.997  -3.836  -1.501
   87   3HD2  LEU  73          3HD2      LEU  73  -0.697  -2.664  -2.785
   88    H    ARG  74           HN       ARG  74  -6.590  -2.921  -0.940
   89    HA   ARG  74           HA       ARG  74  -7.484  -5.118   0.556
   90   1HB   ARG  74          1HB       ARG  74  -8.913  -2.612  -0.345
   91   2HB   ARG  74          2HB       ARG  74  -9.557  -3.741   0.843
   92   1HG   ARG  74          1HG       ARG  74  -7.982  -3.168   2.432
   93   2HG   ARG  74          2HG       ARG  74  -6.852  -2.552   1.234
   94   1HD   ARG  74          1HD       ARG  74  -7.637  -0.501   1.463
   95   2HD   ARG  74          2HD       ARG  74  -9.268  -1.039   1.101
   96    HE   ARG  74           HE       ARG  74  -8.467  -1.578   3.809
   97   1HH1  ARG  74          1HH1      ARG  74  -9.827   0.836   1.651
   98   2HH1  ARG  74          2HH1      ARG  74 -10.558   1.745   2.931
   99   1HH2  ARG  74          1HH2      ARG  74  -9.438  -0.378   5.480
  100   2HH2  ARG  74          2HH2      ARG  74 -10.351   1.051   5.101
  101    H    ASP  75           HN       ASP  75  -7.981  -4.215  -2.726
  102    HA   ASP  75           HA       ASP  75 -10.256  -5.926  -3.176
  103   1HB   ASP  75          1HB       ASP  75  -9.855  -3.887  -4.525
  104   2HB   ASP  75          2HB       ASP  75  -8.371  -4.600  -5.144
  105    H    MET  76           HN       MET  76  -6.797  -6.201  -3.210
  106    HA   MET  76           HA       MET  76  -6.756  -8.666  -4.729
  107   1HB   MET  76          1HB       MET  76  -4.596  -7.215  -3.189
  108   2HB   MET  76          2HB       MET  76  -4.333  -8.662  -4.151
  109   1HG   MET  76          1HG       MET  76  -4.945  -7.493  -6.165
  110   2HG   MET  76          2HG       MET  76  -5.370  -6.055  -5.237
  111   1HE   MET  76          1HE       MET  76  -2.337  -8.442  -4.591
  112   2HE   MET  76          2HE       MET  76  -1.058  -7.672  -5.530
  113   3HE   MET  76          3HE       MET  76  -2.423  -8.428  -6.352
  114    H    GLY  77           HN       GLY  77  -7.279  -7.742  -1.512
  115   1HA   GLY  77          1HA       GLY  77  -7.996  -9.311   0.134
  116   2HA   GLY  77          2HA       GLY  77  -7.006 -10.535  -0.647
  117    H    ILE  78           HN       ILE  78  -5.728  -7.358  -0.096
  118    HA   ILE  78           HA       ILE  78  -3.746  -8.495   1.714
  119    HB   ILE  78           HB       ILE  78  -3.868  -5.646   0.714
  120   1HG1  ILE  78          1HG1      ILE  78  -3.826  -7.044  -1.248
  121   2HG1  ILE  78          2HG1      ILE  78  -2.216  -6.379  -1.011
  122   1HG2  ILE  78          1HG2      ILE  78  -1.471  -5.647   1.188
  123   2HG2  ILE  78          2HG2      ILE  78  -1.579  -7.314   1.752
  124   3HG2  ILE  78          3HG2      ILE  78  -2.409  -6.032   2.632
  125   1HD1  ILE  78          1HD1      ILE  78  -3.095  -9.161  -0.273
  126   2HD1  ILE  78          2HD1      ILE  78  -1.471  -8.498  -0.071
  127   3HD1  ILE  78          3HD1      ILE  78  -2.143  -8.711  -1.689
  128    H    GLN  79           HN       GLN  79  -4.057  -8.431   3.853
  129    HA   GLN  79           HA       GLN  79  -6.150  -6.783   4.958
  130   1HB   GLN  79          1HB       GLN  79  -5.833  -9.072   5.774
  131   2HB   GLN  79          2HB       GLN  79  -4.218  -8.654   6.332
  132   1HG   GLN  79          1HG       GLN  79  -5.177  -7.028   7.886
  133   2HG   GLN  79          2HG       GLN  79  -6.793  -7.467   7.334
  134   1HE2  GLN  79          HE21      GLN  79  -7.647  -9.474   7.884
  135   2HE2  GLN  79          HE22      GLN  79  -7.012 -10.395   9.212
  136    H    ASP  80           HN       ASP  80  -2.622  -6.907   5.113
  137    HA   ASP  80           HA       ASP  80  -2.517  -4.756   7.028
  138   1HB   ASP  80          1HB       ASP  80  -0.367  -6.249   5.524
  139   2HB   ASP  80          2HB       ASP  80  -0.026  -4.934   6.642
  140    H    ASP  81           HN       ASP  81  -3.882  -3.492   5.451
  141    HA   ASP  81           HA       ASP  81  -2.594  -2.241   3.219
  142   1HB   ASP  81          1HB       ASP  81  -4.566  -0.851   3.079
  143   2HB   ASP  81          2HB       ASP  81  -5.070  -2.506   3.400
  144    H    GLU  82           HN       GLU  82  -3.028  -1.523   6.607
  145    HA   GLU  82           HA       GLU  82  -2.130   1.158   6.531
  146   1HB   GLU  82          1HB       GLU  82  -2.063  -0.852   8.798
  147   2HB   GLU  82          2HB       GLU  82  -1.825   0.884   8.970
  148   1HG   GLU  82          1HG       GLU  82  -4.065   1.324   8.237
  149   2HG   GLU  82          2HG       GLU  82  -4.323  -0.380   7.869
  150    H    LEU  83           HN       LEU  83  -0.520  -1.937   6.913
  151    HA   LEU  83           HA       LEU  83   2.131  -1.079   7.138
  152   1HB   LEU  83          1HB       LEU  83   1.702  -3.384   7.413
  153   2HB   LEU  83          2HB       LEU  83   0.761  -3.465   5.947
  154    HG   LEU  83           HG       LEU  83   3.022  -4.673   5.989
  155   1HD1  LEU  83          1HD1      LEU  83   1.701  -4.383   3.996
  156   2HD1  LEU  83          2HD1      LEU  83   3.418  -4.172   3.637
  157   3HD1  LEU  83          3HD1      LEU  83   2.360  -2.764   3.765
  158   1HD2  LEU  83          1HD2      LEU  83   4.371  -2.894   6.960
  159   2HD2  LEU  83          2HD2      LEU  83   4.010  -1.852   5.584
  160   3HD2  LEU  83          3HD2      LEU  83   4.960  -3.319   5.353
  161    H    SER  84           HN       SER  84   0.139  -1.660   4.246
  162    HA   SER  84           HA       SER  84   2.269  -1.046   2.474
  163   1HB   SER  84          1HB       SER  84   0.340  -2.547   1.924
  164   2HB   SER  84          2HB       SER  84  -0.673  -1.109   1.823
  165    HG   SER  84           HG       SER  84   1.004  -0.365   0.254
  166    H    LEU  85           HN       LEU  85  -0.275   0.852   3.953
  167    HA   LEU  85           HA       LEU  85  -0.214   3.214   2.511
  168   1HB   LEU  85          1HB       LEU  85  -1.435   2.508   4.720
  169   2HB   LEU  85          2HB       LEU  85  -0.045   3.222   5.499
  170    HG   LEU  85           HG       LEU  85  -1.934   4.766   5.440
  171   1HD1  LEU  85          1HD1      LEU  85   0.296   5.711   5.412
  172   2HD1  LEU  85          2HD1      LEU  85  -0.810   6.700   4.455
  173   3HD1  LEU  85          3HD1      LEU  85   0.326   5.612   3.651
  174   1HD2  LEU  85          1HD2      LEU  85  -1.677   4.593   2.446
  175   2HD2  LEU  85          2HD2      LEU  85  -2.728   5.695   3.336
  176   3HD2  LEU  85          3HD2      LEU  85  -3.007   3.956   3.412
  177    H    ARG  86           HN       ARG  86   2.146   1.855   4.662
  178    HA   ARG  86           HA       ARG  86   3.808   4.191   4.816
  179   1HB   ARG  86          1HB       ARG  86   4.361   1.312   5.565
  180   2HB   ARG  86          2HB       ARG  86   5.390   2.681   5.971
  181   1HG   ARG  86          1HG       ARG  86   3.708   3.613   7.386
  182   2HG   ARG  86          2HG       ARG  86   2.527   2.415   6.854
  183   1HD   ARG  86          1HD       ARG  86   3.401   1.836   9.041
  184   2HD   ARG  86          2HD       ARG  86   3.893   0.642   7.843
  185    HE   ARG  86           HE       ARG  86   5.820   2.744   8.302
  186   1HH1  ARG  86          1HH1      ARG  86   4.702  -0.440   9.255
  187   2HH1  ARG  86          2HH1      ARG  86   6.209  -0.894   9.994
  188   1HH2  ARG  86          1HH2      ARG  86   7.805   2.158   9.291
  189   2HH2  ARG  86          2HH2      ARG  86   7.973   0.582  10.007
  190    H    ALA  87           HN       ALA  87   3.693   1.237   2.932
  191    HA   ALA  87           HA       ALA  87   6.181   1.642   1.587
  192   1HB   ALA  87          1HB       ALA  87   3.805  -0.038   0.801
  193   2HB   ALA  87          2HB       ALA  87   5.171  -0.574   1.778
  194   3HB   ALA  87          3HB       ALA  87   5.416  -0.131   0.089
  195    H    LEU  88           HN       LEU  88   2.830   2.428   0.997
  196    HA   LEU  88           HA       LEU  88   3.004   3.588  -1.541
  197   1HB   LEU  88          1HB       LEU  88   1.212   3.831   0.810
  198   2HB   LEU  88          2HB       LEU  88   1.137   5.121  -0.370
  199    HG   LEU  88           HG       LEU  88  -0.571   3.324  -0.645
  200   1HD1  LEU  88          1HD1      LEU  88  -0.322   3.179  -3.078
  201   2HD1  LEU  88          2HD1      LEU  88   1.349   3.728  -2.937
  202   3HD1  LEU  88          3HD1      LEU  88   0.025   4.801  -2.484
  203   1HD2  LEU  88          1HD2      LEU  88   0.776   1.388  -0.081
  204   2HD2  LEU  88          2HD2      LEU  88   1.807   1.675  -1.483
  205   3HD2  LEU  88          3HD2      LEU  88   0.116   1.225  -1.708
  206    H    GLN  89           HN       GLN  89   3.213   5.099   1.662
  207    HA   GLN  89           HA       GLN  89   3.929   7.649   0.998
  208   1HB   GLN  89          1HB       GLN  89   3.420   6.760   3.259
  209   2HB   GLN  89          2HB       GLN  89   4.989   5.975   3.278
  210   1HG   GLN  89          1HG       GLN  89   5.063   8.827   2.710
  211   2HG   GLN  89          2HG       GLN  89   4.445   8.406   4.303
  212   1HE2  GLN  89          HE21      GLN  89   5.790   7.384   5.778
  213   2HE2  GLN  89          HE22      GLN  89   7.516   7.333   5.585
  214    H    ALA  90           HN       ALA  90   6.006   4.814   1.357
  215    HA   ALA  90           HA       ALA  90   8.465   6.142   1.005
  216   1HB   ALA  90          1HB       ALA  90   9.408   3.917   0.729
  217   2HB   ALA  90          2HB       ALA  90   7.790   3.248   0.516
  218   3HB   ALA  90          3HB       ALA  90   8.256   3.952   2.065
  219    H    THR  91           HN       THR  91   6.272   4.592  -1.305
  220    HA   THR  91           HA       THR  91   8.158   4.952  -3.480
  221    HB   THR  91           HB       THR  91   6.362   3.980  -4.888
  222    HG1  THR  91           HG1      THR  91   4.632   3.023  -3.290
  223   1HG2  THR  91          1HG2      THR  91   6.978   2.468  -2.348
  224   2HG2  THR  91          2HG2      THR  91   7.957   2.495  -3.813
  225   3HG2  THR  91          3HG2      THR  91   6.360   1.747  -3.836
  226    H    GLY  92           HN       GLY  92   5.628   6.701  -2.002
  227   1HA   GLY  92          1HA       GLY  92   5.277   9.010  -2.483
  228   2HA   GLY  92          2HA       GLY  92   5.758   8.703  -4.148
  229    H    GLY  93           HN       GLY  93   3.919   6.153  -3.519
  230   1HA   GLY  93          1HA       GLY  93   1.413   6.245  -3.278
  231   2HA   GLY  93          2HA       GLY  93   1.488   7.528  -4.476
  232    H    ASP  94           HN       ASP  94   3.434   4.593  -4.520
  233    HA   ASP  94           HA       ASP  94   2.004   3.779  -6.956
  234   1HB   ASP  94          1HB       ASP  94   4.410   4.535  -7.244
  235   2HB   ASP  94          2HB       ASP  94   4.881   3.132  -6.291
  236    H    ILE  95           HN       ILE  95   1.067   1.902  -6.904
  237    HA   ILE  95           HA       ILE  95   0.973   0.408  -4.475
  238    HB   ILE  95           HB       ILE  95  -0.306   0.080  -7.174
  239   1HG1  ILE  95          1HG1      ILE  95  -0.973   1.897  -5.536
  240   2HG1  ILE  95          2HG1      ILE  95  -2.270   0.833  -6.076
  241   1HG2  ILE  95          1HG2      ILE  95  -1.688  -1.717  -6.227
  242   2HG2  ILE  95          2HG2      ILE  95  -0.709  -1.690  -4.760
  243   3HG2  ILE  95          3HG2      ILE  95   0.016  -2.168  -6.296
  244   1HD1  ILE  95          1HD1      ILE  95  -1.841  -0.481  -3.953
  245   2HD1  ILE  95          2HD1      ILE  95  -2.583   1.110  -3.787
  246   3HD1  ILE  95          3HD1      ILE  95  -0.864   0.897  -3.438
  247    H    GLN  96           HN       GLN  96   2.064  -0.350  -7.764
  248    HA   GLN  96           HA       GLN  96   2.766  -3.029  -7.025
  249   1HB   GLN  96          1HB       GLN  96   3.330  -1.459  -9.539
  250   2HB   GLN  96          2HB       GLN  96   3.681  -3.172  -9.336
  251   1HG   GLN  96          1HG       GLN  96   1.262  -3.542  -8.886
  252   2HG   GLN  96          2HG       GLN  96   0.977  -1.850  -9.289
  253   1HE2  GLN  96          HE21      GLN  96   1.721  -5.003 -10.491
  254   2HE2  GLN  96          HE22      GLN  96   1.548  -4.628 -12.175
  255    H    ALA  97           HN       ALA  97   4.381  -0.018  -6.880
  256    HA   ALA  97           HA       ALA  97   7.001  -1.254  -6.578
  257   1HB   ALA  97          1HB       ALA  97   6.119   1.600  -6.130
  258   2HB   ALA  97          2HB       ALA  97   6.838   0.957  -7.609
  259   3HB   ALA  97          3HB       ALA  97   7.785   1.017  -6.122
  260    H    ALA  98           HN       ALA  98   4.298  -0.361  -4.626
  261    HA   ALA  98           HA       ALA  98   5.617  -0.058  -2.137
  262   1HB   ALA  98          1HB       ALA  98   3.410  -0.364  -1.145
  263   2HB   ALA  98          2HB       ALA  98   2.787  -0.957  -2.684
  264   3HB   ALA  98          3HB       ALA  98   3.324   0.716  -2.536
  265    H    LEU  99           HN       LEU  99   4.208  -2.860  -3.798
  266    HA   LEU  99           HA       LEU  99   4.523  -4.788  -1.822
  267   1HB   LEU  99          1HB       LEU  99   4.541  -4.867  -4.812
  268   2HB   LEU  99          2HB       LEU  99   4.847  -6.327  -3.894
  269    HG   LEU  99           HG       LEU  99   2.515  -6.127  -4.640
  270   1HD1  LEU  99          1HD1      LEU  99   2.869  -5.993  -1.655
  271   2HD1  LEU  99          2HD1      LEU  99   3.048  -7.432  -2.660
  272   3HD1  LEU  99          3HD1      LEU  99   1.471  -6.658  -2.501
  273   1HD2  LEU  99          1HD2      LEU  99   1.011  -4.520  -3.584
  274   2HD2  LEU  99          2HD2      LEU  99   2.245  -3.725  -4.560
  275   3HD2  LEU  99          3HD2      LEU  99   2.395  -3.752  -2.803
  276    H    GLU 100           HN       GLU 100   6.918  -3.032  -3.356
  277    HA   GLU 100           HA       GLU 100   8.953  -5.113  -3.181
  278   1HB   GLU 100          1HB       GLU 100   8.966  -2.328  -4.358
  279   2HB   GLU 100          2HB       GLU 100  10.406  -3.338  -4.252
  280   1HG   GLU 100          1HG       GLU 100   7.885  -4.057  -5.732
  281   2HG   GLU 100          2HG       GLU 100   9.348  -3.400  -6.466
  282    H    LEU 101           HN       LEU 101   7.949  -2.064  -1.812
  283    HA   LEU 101           HA       LEU 101  10.155  -1.834  -0.008
  284   1HB   LEU 101          1HB       LEU 101   7.819  -0.314  -0.693
  285   2HB   LEU 101          2HB       LEU 101   7.888  -0.504   1.047
  286    HG   LEU 101           HG       LEU 101   8.983   1.529   0.548
  287   1HD1  LEU 101          1HD1      LEU 101  10.130   0.190   2.214
  288   2HD1  LEU 101          2HD1      LEU 101  11.285   1.130   1.267
  289   3HD1  LEU 101          3HD1      LEU 101  11.080  -0.592   0.951
  290   1HD2  LEU 101          1HD2      LEU 101  10.798   1.722  -1.050
  291   2HD2  LEU 101          2HD2      LEU 101   9.315   1.168  -1.833
  292   3HD2  LEU 101          3HD2      LEU 101  10.611   0.021  -1.482
  293    H    ILE 102           HN       ILE 102   6.924  -3.200   0.070
  294    HA   ILE 102           HA       ILE 102   6.813  -3.776   2.808
  295    HB   ILE 102           HB       ILE 102   5.474  -5.243   0.542
  296   1HG1  ILE 102          1HG1      ILE 102   4.287  -3.131   2.331
  297   2HG1  ILE 102          2HG1      ILE 102   5.100  -2.725   0.823
  298   1HG2  ILE 102          1HG2      ILE 102   5.538  -6.502   2.688
  299   2HG2  ILE 102          2HG2      ILE 102   3.908  -6.070   2.174
  300   3HG2  ILE 102          3HG2      ILE 102   4.695  -5.156   3.464
  301   1HD1  ILE 102          1HD1      ILE 102   2.745  -2.819   0.447
  302   2HD1  ILE 102          2HD1      ILE 102   2.650  -4.431   1.157
  303   3HD1  ILE 102          3HD1      ILE 102   3.504  -4.188  -0.367
  304    H    PHE 103           HN       PHE 103   7.801  -5.735   0.043
  305    HA   PHE 103           HA       PHE 103   8.542  -8.030   1.489
  306   1HB   PHE 103          1HB       PHE 103   8.189  -8.098  -0.919
  307   2HB   PHE 103          2HB       PHE 103   9.561  -7.025  -1.176
  308    HD1  PHE 103           HD1      PHE 103   8.753 -10.306   0.398
  309    HD2  PHE 103           HD2      PHE 103  11.591  -7.953  -1.717
  310    HE1  PHE 103           HE1      PHE 103  10.236 -12.259   0.228
  311    HE2  PHE 103           HE2      PHE 103  13.084  -9.904  -1.894
  312    HZ   PHE 103           HZ       PHE 103  12.424 -12.050  -0.885
  313    H    ALA 104           HN       ALA 104  10.176  -5.009   1.022
  314    HA   ALA 104           HA       ALA 104  12.766  -6.068   1.793
  315   1HB   ALA 104          1HB       ALA 104  11.879  -3.214   1.342
  316   2HB   ALA 104          2HB       ALA 104  12.664  -4.253   0.153
  317   3HB   ALA 104          3HB       ALA 104  13.540  -3.750   1.598
  318    H    GLY 105           HN       GLY 105   9.973  -4.754   3.186
  319   1HA   GLY 105          1HA       GLY 105   9.324  -4.711   5.370
  320   2HA   GLY 105          2HA       GLY 105  10.917  -5.292   5.831
  321    H    GLY 106           HN       GLY 106  10.132  -2.369   3.989
  322   1HA   GLY 106          1HA       GLY 106  10.877  -0.737   6.290
  323   2HA   GLY 106          2HA       GLY 106  11.938  -0.661   4.895
  324    H    ALA 107           HN       ALA 107  11.481   1.566   4.830
  325    HA   ALA 107           HA       ALA 107   9.642   2.530   3.038
  326   1HB   ALA 107          1HB       ALA 107   8.592   2.830   5.863
  327   2HB   ALA 107          2HB       ALA 107   7.862   1.857   4.586
  328   3HB   ALA 107          3HB       ALA 107   7.926   3.611   4.426
  329    HA   PRO 108           HA       PRO 108  12.935   5.410   4.490
  330   1HB   PRO 108          1HB       PRO 108  13.037   6.145   1.652
  331   2HB   PRO 108          2HB       PRO 108  14.324   5.535   2.697
  332   1HG   PRO 108          1HG       PRO 108  13.252   4.038   0.731
  333   2HG   PRO 108          2HG       PRO 108  13.817   3.329   2.253
  334   1HD   PRO 108          1HD       PRO 108  11.026   3.991   1.391
  335   2HD   PRO 108          2HD       PRO 108  11.632   2.548   2.235